*HEADER    CALCIUM BINDING PROTEIN                 30-DEC-11   2LNK              
*TITLE     SOLUTION STRUCTURE OF CA-BOUND S100A4 IN COMPLEX WITH NON-MUSCLE      
*TITLE    2 MYOSIN IIA                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MYOSIN HEAVY CHAIN, NON-MUSCLE IIA;                        
*COMPND   3 CHAIN: C;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1897-1935;                                    
*COMPND   5 SYNONYM: MYOSIN-9, CELLULAR MYOSIN HEAVY CHAIN, TYPE A, MYOSIN HEAVY 
*COMPND   6 CHAIN 9, MYOSIN HEAVY CHAIN, NON-MUSCLE IIA, NON-MUSCLE MYOSIN HEAVY 
*COMPND   7 CHAIN A, NMMHC-A, NON-MUSCLE MYOSIN HEAVY CHAIN IIA, NMMHC II-A,     
*COMPND   8 NMMHC-IIA;                                                           
*COMPND   9 ENGINEERED: YES;                                                     
*COMPND  10 MOL_ID: 2;                                                           
*COMPND  11 MOLECULE: PROTEIN S100-A4;                                           
*COMPND  12 CHAIN: A, B;                                                         
*COMPND  13 SYNONYM: CALVASCULIN, METASTASIN, PLACENTAL CALCIUM-BINDING PROTEIN, 
*COMPND  14 PROTEIN MTS1, S100 CALCIUM-BINDING PROTEIN A4;                       
*COMPND  15 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   9 ORGANISM_TAXID: 9606;                                                
*SOURCE  10 GENE: S100A4, CAPL, MTS1;                                            
*SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  12 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE  13 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
*KEYWDS    EF-HAND, CALCIUM BINDING, ALL ALPHA, METAL BINDING PROTEIN, CALCIUM   
*KEYWDS   2 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    I.L.BARSUKOV, P.R.ELLIOTT                                             
*REVDAT   1   25-APR-12 2LNK    0                                                


 ASSI {    2}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 93   and name HB2 ))
      2.300     0.700     0.700 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      4.792 ppm2      3.158 CV     1
 ASSI {    3}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 93   and name HB3 ))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.67498E-02 ppm1      4.789 ppm2      2.948 CV     1
 ASSI {   20}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 93   and name HB3 ))
      2.500     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.74675E-02 ppm1      4.804 ppm2      2.936 CV     1
 ASSI {   21}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 93   and name HB2 ))
      2.100     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12002E-01 ppm1      4.807 ppm2      3.155 CV     1
 ASSI {   22}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.14224E-01 ppm1      4.804 ppm2      3.721 CV     1
 ASSI {   23}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 94   and name HD3 ))
      2.000     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14198E-01 ppm1      4.807 ppm2      3.568 CV     1
 ASSI {   26}
   (( segid "B   " and resid 92   and name HA3 ))
   (( segid "B   " and resid 93   and name H   ))
      3.500     1.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.22456E-02 ppm1      3.727 ppm2      7.972 CV     1
 ASSI {   30}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name H   ))
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.37891E-02 ppm1      4.004 ppm2      8.032 CV     1
 ASSI {   31}
   (( segid "A   " and resid 91   and name HB2 ))
   (( segid "A   " and resid 91   and name H   ))
      2.900     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.16704E-02 ppm1      1.900 ppm2      8.030 CV     1
 ASSI {   32}
   (( segid "A   " and resid 91   and name HB2 ))
   (( segid "A   " and resid 92   and name H   ))
      3.400     1.400     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10444E-02 ppm1      1.890 ppm2      7.201 CV     1
 ASSI {   34}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "A   " and resid 17   and name HD2 ))
      3.600     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.83909E-03 ppm1      4.007 ppm2      7.420 CV     1
 ASSI {   35}
   (( segid "B   " and resid 91   and name HA  ))
   (  segid "A   " and resid 27   and name HD% )
      2.700     2.700     3.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.76124E-03 ppm1      4.008 ppm2      7.486 CV     1
 ASSI {   36}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name HB3 ))
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.34834E-02 ppm1      4.008 ppm2      1.774 CV     1
 ASSI {   37}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name HB2 ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.88958E-02 ppm1      4.005 ppm2      1.906 CV     1
 OR {   37}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name HG3 ))
 ASSI {   38}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name HG2 ))
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      4.005 ppm2      2.216 CV     1
 ASSI {   40}
   (( segid "A   " and resid 91   and name HB3 ))
   (( segid "A   " and resid 92   and name H   ))
      4.500     2.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.69364E-03 ppm1      1.777 ppm2      7.193 CV     1
 ASSI {   42}
   (( segid "A   " and resid 91   and name HG2 ))
   (( segid "A   " and resid 91   and name H   ))
      3.300     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.22088E-02 ppm1      2.218 ppm2      8.030 CV     1
 ASSI {   43}
   (( segid "A   " and resid 91   and name HG2 ))
   (  segid "A   " and resid 90   and name HD% )
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.78510E-03 ppm1      2.213 ppm2      6.918 CV     1
 ASSI {   46}
   (( segid "A   " and resid 91   and name HG2 ))
   (( segid "A   " and resid 91   and name HB3 ))
      2.600     0.900     0.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.41749E-02 ppm1      2.214 ppm2      1.771 CV     1
 ASSI {   47}
   (( segid "A   " and resid 91   and name HG3 ))
   (( segid "A   " and resid 91   and name H   ))
      3.200     1.300     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.11679E-02 ppm1      1.910 ppm2      8.030 CV     1
 ASSI {   48}
   (( segid "A   " and resid 91   and name HG3 ))
   (( segid "A   " and resid 91   and name HA  ))
      3.300     1.400     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.29783E-02 ppm1      1.915 ppm2      4.005 CV     1
 ASSI {   49}
   (( segid "A   " and resid 91   and name HG3 ))
   (( segid "A   " and resid 91   and name HG2 ))
      1.800     0.400     0.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.10587E-01 ppm1      1.911 ppm2      2.213 CV     1
 ASSI {   50}
   (( segid "A   " and resid 91   and name HG3 ))
   (( segid "A   " and resid 91   and name HB3 ))
      3.000     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.47645E-02 ppm1      1.914 ppm2      1.769 CV     1
 ASSI {   51}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "B   " and resid 91   and name H   ))
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.31647E-02 ppm1      3.977 ppm2      8.093 CV     1
 ASSI {   53}
   (( segid "B   " and resid 91   and name HA  ))
   (  segid "B   " and resid 90   and name HD% )
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.78033E-03 ppm1      3.976 ppm2      6.936 CV     1
 ASSI {   54}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "B   " and resid 91   and name HG3 ))
      3.400     1.400     1.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.23063E-02 ppm1      3.978 ppm2      2.268 CV     1
 ASSI {   55}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "B   " and resid 91   and name HG2 ))
      2.900     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.35615E-02 ppm1      3.976 ppm2      1.971 CV     1
 ASSI {   56}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "B   " and resid 91   and name HB2 ))
      2.600     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.45520E-02 ppm1      3.974 ppm2      1.899 CV     1
 ASSI {   57}
   (( segid "B   " and resid 91   and name HA  ))
   (( segid "B   " and resid 91   and name HB3 ))
      2.800     1.000     1.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.33294E-02 ppm1      3.974 ppm2      1.800 CV     1
 ASSI {   60}
   (( segid "B   " and resid 91   and name HB3 ))
   (( segid "B   " and resid 91   and name HG3 ))
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.22890E-02 ppm1      1.806 ppm2      2.261 CV     1
 ASSI {   62}
   (( segid "B   " and resid 91   and name HG2 ))
   (( segid "B   " and resid 91   and name HB3 ))
      2.800     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.36374E-02 ppm1      1.974 ppm2      1.799 CV     1
 ASSI {   66}
   (( segid "B   " and resid 91   and name HG3 ))
   (  segid "B   " and resid 90   and name HD% )
      4.100     2.100     1.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.76799E-03 ppm1      2.270 ppm2      6.928 CV     1
 ASSI {   67}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 90   and name HB3 ))
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.30563E-02 ppm1      4.165 ppm2      2.818 CV     1
 ASSI {   68}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 90   and name HB2 ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.41336E-02 ppm1      4.166 ppm2      2.969 CV     1
 ASSI {   70}
   (( segid "A   " and resid 90   and name HA  ))
   (  segid "A   " and resid 90   and name HD% )
      3.000     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.34508E-02 ppm1      4.167 ppm2      6.928 CV     1
 ASSI {   74}
   (( segid "A   " and resid 90   and name HB2 ))
   (  segid "A   " and resid 90   and name HD% )
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.25989E-02 ppm1      2.970 ppm2      6.922 CV     1
 ASSI {   76}
   (( segid "A   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 13   and name HG23))
      3.400     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.13979E-02 ppm1      2.969 ppm2      0.856 CV     1
 OR {   76}
   (( segid "A   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 13   and name HG22))
 OR {   76}
   (( segid "A   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 13   and name HG21))
 ASSI {   81}
   (( segid "A   " and resid 90   and name HB3 ))
   (( segid "A   " and resid 87   and name HA  ))
      4.200     2.300     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.97911E-03 ppm1      2.814 ppm2      4.242 CV     1
 ASSI {   82}
   (( segid "A   " and resid 90   and name HB3 ))
   (( segid "B   " and resid 13   and name HG23))
      4.600     2.600     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.91819E-03 ppm1      2.822 ppm2      0.860 CV     1
 OR {   82}
   (( segid "A   " and resid 90   and name HB3 ))
   (( segid "B   " and resid 13   and name HG22))
 OR {   82}
   (( segid "A   " and resid 90   and name HB3 ))
   (( segid "B   " and resid 13   and name HG21))
 ASSI {   85}
   (( segid "B   " and resid 90   and name HA  ))
   (  segid "B   " and resid 90   and name HD% )
      2.900     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.31452E-02 ppm1      4.193 ppm2      6.939 CV     1
 ASSI {   87}
   (( segid "B   " and resid 90   and name HB2 ))
   (  segid "B   " and resid 90   and name HD% )
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.25036E-02 ppm1      3.035 ppm2      6.935 CV     1
 ASSI {   88}
   (( segid "B   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 91   and name H   ))
      4.300     2.300     1.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      3.032 ppm2      8.099 CV     1
 ASSI {   89}
   (( segid "B   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.26401E-02 ppm1      3.036 ppm2      4.195 CV     1
 ASSI {   90}
   (( segid "B   " and resid 90   and name HB2 ))
   (( segid "B   " and resid 87   and name HA  ))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.21002E-02 ppm1      3.038 ppm2      4.256 CV     1
 ASSI {   91}
   (( segid "B   " and resid 90   and name HB3 ))
   (  segid "B   " and resid 90   and name HD% )
      2.700     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.25513E-02 ppm1      2.943 ppm2      6.936 CV     1
 ASSI {   97}
   (( segid "A   " and resid 89   and name HA  ))
   (( segid "A   " and resid 89   and name HB3 ))
      3.000     1.100     1.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.31452E-02 ppm1      4.439 ppm2      2.999 CV     1
 ASSI {   98}
   (( segid "A   " and resid 89   and name HA  ))
   (( segid "A   " and resid 89   and name HB2 ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.34204E-02 ppm1      4.440 ppm2      3.119 CV     1
 ASSI {   99}
   (( segid "A   " and resid 89   and name HA  ))
   (( segid "A   " and resid 92   and name HA2 ))
      2.200     0.600     0.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10277E-01 ppm1      4.436 ppm2      3.817 CV     1
 ASSI {  103}
   (( segid "A   " and resid 89   and name HB3 ))
   (( segid "A   " and resid 90   and name H   ))
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.13539E-02 ppm1      3.002 ppm2      7.574 CV     1
 ASSI {  108}
   (( segid "B   " and resid 89   and name HA  ))
   (( segid "B   " and resid 89   and name HB3 ))
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.25903E-02 ppm1      4.457 ppm2      3.027 CV     1
 ASSI {  109}
   (( segid "B   " and resid 89   and name HA  ))
   (( segid "B   " and resid 89   and name HB2 ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.29089E-02 ppm1      4.457 ppm2      3.261 CV     1
 ASSI {  113}
   (( segid "B   " and resid 89   and name HB2 ))
   (  segid "B   " and resid 89   and name HD% )
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.22001E-02 ppm1      3.261 ppm2      7.262 CV     1
 ASSI {  114}
   (( segid "B   " and resid 89   and name HB2 ))
   (( segid "B   " and resid 89   and name H   ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.25925E-02 ppm1      3.264 ppm2      7.377 CV     1
 ASSI {  116}
   (( segid "B   " and resid 89   and name HB3 ))
   (( segid "B   " and resid 90   and name H   ))
      3.400     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21366E-02 ppm1      3.030 ppm2      7.734 CV     1
 ASSI {  118}
   (( segid "B   " and resid 89   and name HB3 ))
   (  segid "B   " and resid 89   and name HD% )
      2.900     1.000     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.20729E-02 ppm1      3.028 ppm2      7.257 CV     1
 ASSI {  121}
   (( segid "B   " and resid 89   and name HB2 ))
   (( segid "B   " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.81284E-03 ppm1      3.263 ppm2      4.259 CV     1
 ASSI {  125}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 19   and name H   ))
      3.300     1.400     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.13550E-02 ppm1      3.940 ppm2      6.845 CV     1
 ASSI {  128}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 88   and name HB3 ))
      2.400     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.11998E-01 ppm1      3.942 ppm2      1.899 CV     1
 ASSI {  129}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 88   and name HB2 ))
      2.600     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.47277E-02 ppm1      3.943 ppm2      2.042 CV     1
 ASSI {  130}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 88   and name HG3 ))
      2.800     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.39644E-02 ppm1      3.941 ppm2      2.162 CV     1
 ASSI {  131}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 88   and name HG2 ))
      3.200     1.300     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.23388E-02 ppm1      3.938 ppm2      2.422 CV     1
 ASSI {  132}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 18   and name HG2 ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.28981E-02 ppm1      3.940 ppm2      1.376 CV     1
 ASSI {  134}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 18   and name HG3 ))
      3.000     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      3.944 ppm2      0.720 CV     1
 ASSI {  137}
   (( segid "A   " and resid 88   and name HB2 ))
   (( segid "A   " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13244E-02 ppm1      2.043 ppm2      4.275 CV     1
 ASSI {  139}
   (( segid "A   " and resid 88   and name HB3 ))
   (( segid "A   " and resid 85   and name HA  ))
      3.400     1.500     1.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.10532E-02 ppm1      1.899 ppm2      4.266 CV     1
 ASSI {  141}
   (( segid "A   " and resid 88   and name HB2 ))
   (( segid "A   " and resid 89   and name H   ))
      3.500     1.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.17072E-02 ppm1      2.041 ppm2      7.376 CV     1
 ASSI {  142}
   (( segid "A   " and resid 88   and name HB3 ))
   (( segid "A   " and resid 89   and name H   ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.22305E-02 ppm1      1.905 ppm2      7.374 CV     1
 ASSI {  143}
   (( segid "A   " and resid 88   and name HB2 ))
   (( segid "A   " and resid 88   and name H   ))
      2.700     0.900     0.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.26532E-02 ppm1      2.048 ppm2      7.559 CV     1
 ASSI {  146}
   (( segid "A   " and resid 88   and name HG2 ))
   (( segid "A   " and resid 88   and name HB3 ))
      2.700     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.39428E-02 ppm1      2.424 ppm2      1.905 CV     1
 ASSI {  147}
   (( segid "A   " and resid 88   and name HG2 ))
   (( segid "A   " and resid 88   and name HB2 ))
      3.000     1.100     1.100 peak   147 spectrum    1 weight  0.10000E+01 volume  0.36913E-02 ppm1      2.424 ppm2      2.044 CV     1
 ASSI {  149}
   (( segid "A   " and resid 88   and name HG3 ))
   (( segid "A   " and resid 88   and name HB3 ))
      2.900     1.100     1.100 peak   149 spectrum    1 weight  0.10000E+01 volume  0.45888E-02 ppm1      2.156 ppm2      1.904 CV     1
 ASSI {  150}
   (( segid "A   " and resid 88   and name HG2 ))
   (( segid "A   " and resid 88   and name H   ))
      3.500     1.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      2.425 ppm2      7.560 CV     1
 ASSI {  153}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 88   and name H   ))
      3.300     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      4.248 ppm2      7.569 CV     1
 ASSI {  155}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 87   and name HB2 ))
      2.700     0.900     0.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.18765E-02 ppm1      4.246 ppm2      2.390 CV     1
 ASSI {  157}
   (( segid "A   " and resid 87   and name HB2 ))
   (( segid "A   " and resid 88   and name H   ))
      4.600     2.600     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.51438E-03 ppm1      2.396 ppm2      7.562 CV     1
 ASSI {  160}
   (( segid "A   " and resid 87   and name HB2 ))
   (( segid "B   " and resid 72   and name HZ  ))
      2.900     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.76647E-03 ppm1      2.392 ppm2      6.906 CV     1
 ASSI {  163}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 88   and name H   ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.95373E-03 ppm1      4.266 ppm2      7.706 CV     1
 ASSI {  164}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 87   and name HB3 ))
      3.200     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18873E-02 ppm1      4.266 ppm2      1.748 CV     1
 ASSI {  165}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 87   and name HB2 ))
      2.900     1.100     1.100 peak   165 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      4.266 ppm2      2.362 CV     1
 ASSI {  166}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 90   and name HB3 ))
      3.100     1.200     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.15043E-02 ppm1      4.258 ppm2      2.946 CV     1
 ASSI {  169}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.100     1.200     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      4.265 ppm2      1.019 CV     1
 ASSI {  171}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "A   " and resid 13   and name HG13))
      3.600     1.600     1.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.12639E-02 ppm1      4.266 ppm2      1.276 CV     1
 OR {  171}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "A   " and resid 13   and name HG12))
 OR {  171}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "A   " and resid 13   and name HG11))
 ASSI {  172}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 62   and name HB3 ))
      2.600     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      4.270 ppm2      1.373 CV     1
 ASSI {  173}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 62   and name HB2 ))
      3.200     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.12058E-02 ppm1      4.266 ppm2      1.681 CV     1
 ASSI {  177}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "B   " and resid 13   and name HG23))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.42334E-02 ppm1      4.258 ppm2      0.852 CV     1
 OR {  177}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "B   " and resid 13   and name HG22))
 OR {  177}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "B   " and resid 13   and name HG21))
 ASSI {  178}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "A   " and resid 72   and name HZ  ))
      3.500     1.600     1.600 peak   178 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      4.257 ppm2      6.922 CV     1
 ASSI {  179}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 86   and name HB3 ))
      3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      4.194 ppm2      3.083 CV     1
 ASSI {  180}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 86   and name HB2 ))
      2.800     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.15735E-02 ppm1      4.197 ppm2      3.245 CV     1
 ASSI {  181}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 89   and name HB3 ))
      3.400     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.70339E-03 ppm1      4.193 ppm2      3.004 CV     1
 ASSI {  183}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 87   and name H   ))
      3.500     1.600     1.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.91364E-03 ppm1      4.190 ppm2      8.684 CV     1
 ASSI {  185}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 87   and name H   ))
      4.300     2.300     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.69102E-03 ppm1      3.233 ppm2      8.677 CV     1
 ASSI {  189}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 86   and name HB3 ))
      2.100     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      3.238 ppm2      3.081 CV     1
 ASSI {  191}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 13   and name HG12))
      4.200     2.200     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      3.238 ppm2      1.273 CV     1
 OR {  191}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 13   and name HG11))
 OR {  191}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 13   and name HG13))
 ASSI {  193}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG23))
      3.200     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.84667E-03 ppm1      3.073 ppm2      0.859 CV     1
 OR {  193}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG21))
 OR {  193}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG22))
 ASSI {  195}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "B   " and resid 13   and name HG12))
      4.700     2.800     1.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67846E-03 ppm1      4.192 ppm2      1.274 CV     1
 OR {  195}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  195}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "B   " and resid 13   and name HG11))
 ASSI {  196}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "A   " and resid 87   and name H   ))
      3.100     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.82391E-03 ppm1      3.077 ppm2      8.680 CV     1
 ASSI {  199}
   (( segid "B   " and resid 86   and name HA  ))
   (( segid "B   " and resid 86   and name HB2 ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.12112E-02 ppm1      4.251 ppm2      3.430 CV     1
 ASSI {  200}
   (( segid "B   " and resid 86   and name HA  ))
   (( segid "B   " and resid 86   and name HB3 ))
      3.200     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      4.254 ppm2      3.085 CV     1
 ASSI {  201}
   (( segid "B   " and resid 86   and name HA  ))
   (  segid "C   " and resid 1930  and name HG2%)
      3.400     1.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.88697E-03 ppm1      4.256 ppm2      1.030 CV     1
 ASSI {  202}
   (( segid "B   " and resid 86   and name HA  ))
   (  segid "C   " and resid 1930  and name HG1%)
      2.800     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.17135E-02 ppm1      4.253 ppm2      0.963 CV     1
 ASSI {  203}
   (( segid "B   " and resid 86   and name HA  ))
   (  segid "B   " and resid 89   and name HD% )
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.84277E-03 ppm1      4.257 ppm2      7.266 CV     1
 ASSI {  205}
   (( segid "B   " and resid 86   and name HA  ))
   (( segid "B   " and resid 87   and name H   ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.57008E-03 ppm1      4.258 ppm2      8.600 CV     1
 ASSI {  206}
   (( segid "B   " and resid 86   and name HA  ))
   (( segid "B   " and resid 89   and name HB3 ))
      4.800     2.800     1.200 peak   206 spectrum    1 weight  0.10000E+01 volume  0.76409E-03 ppm1      4.255 ppm2      3.035 CV     1
 ASSI {  208}
   (( segid "B   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 87   and name H   ))
      4.500     2.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.54538E-03 ppm1      3.428 ppm2      8.593 CV     1
 ASSI {  214}
   (( segid "B   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 86   and name HB3 ))
      2.200     0.600     0.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.19734E-02 ppm1      3.435 ppm2      3.085 CV     1
 ASSI {  218}
   (( segid "B   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 83   and name HB3 ))
      2.800     2.800     3.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.59003E-03 ppm1      3.424 ppm2      1.747 CV     1
 OR {  218}
   (( segid "B   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 83   and name HB2 ))
 OR {  218}
   (( segid "B   " and resid 86   and name HB2 ))
   (( segid "B   " and resid 83   and name HB1 ))
 ASSI {  219}
   (( segid "B   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 83   and name HB3 ))
      2.500     2.500     3.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.13649E-02 ppm1      3.083 ppm2      1.742 CV     1
 OR {  219}
   (( segid "B   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 83   and name HB2 ))
 ASSI {  221}
   (( segid "A   " and resid 85   and name HA  ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17508E-02 ppm1      4.288 ppm2      2.582 CV     1
 ASSI {  224}
   (( segid "A   " and resid 85   and name HA  ))
   (( segid "A   " and resid 85   and name HB3 ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.26770E-02 ppm1      4.290 ppm2      2.259 CV     1
 ASSI {  227}
   (( segid "A   " and resid 85   and name HG2 ))
   (  segid "C   " and resid 1903  and name HB% )
      4.100     2.100     1.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.14729E-02 ppm1      2.732 ppm2      1.600 CV     1
 ASSI {  229}
   (( segid "A   " and resid 85   and name HG2 ))
   (( segid "A   " and resid 85   and name HB3 ))
      2.600     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.27897E-02 ppm1      2.737 ppm2      2.267 CV     1
 ASSI {  232}
   (( segid "A   " and resid 85   and name HG2 ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.800     1.000     1.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.25469E-02 ppm1      2.738 ppm2      2.584 CV     1
 ASSI {  233}
   (( segid "A   " and resid 85   and name HG2 ))
   (( segid "A   " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.23475E-02 ppm1      2.738 ppm2      4.293 CV     1
 ASSI {  234}
   (( segid "A   " and resid 85   and name HG2 ))
   (( segid "A   " and resid 85   and name H   ))
      4.000     2.000     2.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.13322E-02 ppm1      2.738 ppm2      7.646 CV     1
 ASSI {  235}
   (( segid "A   " and resid 85   and name HG2 ))
   (( segid "A   " and resid 86   and name H   ))
      3.600     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.60130E-03 ppm1      2.726 ppm2      8.446 CV     1
 ASSI {  236}
   (( segid "A   " and resid 85   and name HG3 ))
   (  segid "C   " and resid 1903  and name HB% )
      2.600     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.93314E-03 ppm1      2.491 ppm2      1.600 CV     1
 ASSI {  237}
   (( segid "A   " and resid 85   and name HG3 ))
   (( segid "A   " and resid 85   and name HB3 ))
      2.800     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.22781E-02 ppm1      2.492 ppm2      2.267 CV     1
 ASSI {  238}
   (( segid "A   " and resid 85   and name HG3 ))
   (( segid "A   " and resid 85   and name HG2 ))
      1.700     0.300     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.82281E-02 ppm1      2.492 ppm2      2.734 CV     1
 ASSI {  239}
   (( segid "A   " and resid 85   and name HG3 ))
   (( segid "A   " and resid 85   and name HA  ))
      3.400     1.400     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.17367E-02 ppm1      2.491 ppm2      4.291 CV     1
 ASSI {  240}
   (( segid "A   " and resid 85   and name HG3 ))
   (( segid "A   " and resid 85   and name H   ))
      4.400     2.400     1.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      2.488 ppm2      7.646 CV     1
 ASSI {  241}
   (( segid "A   " and resid 85   and name HG3 ))
   (( segid "A   " and resid 86   and name H   ))
      4.300     2.400     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.66503E-03 ppm1      2.486 ppm2      8.435 CV     1
 ASSI {  244}
   (( segid "A   " and resid 85   and name HB2 ))
   (( segid "A   " and resid 84   and name HA  ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      2.581 ppm2      4.066 CV     1
 ASSI {  245}
   (( segid "A   " and resid 85   and name HB2 ))
   (  segid "C   " and resid 1903  and name HB% )
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.67672E-03 ppm1      2.575 ppm2      1.596 CV     1
 ASSI {  248}
   (( segid "A   " and resid 85   and name HB3 ))
   (  segid "C   " and resid 1903  and name HB% )
      3.200     1.300     1.300 peak   248 spectrum    1 weight  0.10000E+01 volume  0.11649E-02 ppm1      2.263 ppm2      1.596 CV     1
 ASSI {  251}
   (( segid "A   " and resid 85   and name HB3 ))
   (( segid "A   " and resid 85   and name HB2 ))
      1.800     0.400     0.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.26770E-02 ppm1      2.263 ppm2      2.579 CV     1
 ASSI {  252}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 85   and name H   ))
      2.000     2.000     4.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.49075E-02 ppm1      2.186 ppm2      7.646 CV     1
 OR {  252}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 85   and name H   ))
 ASSI {  253}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1898  and name H   ))
      2.400     2.400     3.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15811E-02 ppm1      2.185 ppm2      8.226 CV     1
 OR {  253}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1898  and name H   ))
 ASSI {  254}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1903  and name H   ))
      3.700     1.700     1.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.22695E-02 ppm1      2.186 ppm2      8.143 CV     1
 OR {  254}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1903  and name H   ))
 OR {  254}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1903  and name H   ))
 ASSI {  255}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 45   and name H   ))
      2.600     2.600     3.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.96545E-03 ppm1      2.183 ppm2      7.947 CV     1
 OR {  255}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 45   and name H   ))
 OR {  255}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 45   and name H   ))
 ASSI {  256}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name H   ))
      2.400     2.400     3.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.16701E-02 ppm1      2.185 ppm2      7.808 CV     1
 OR {  256}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name H   ))
 ASSI {  258}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 86   and name H   ))
      2.000     2.000     4.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.43199E-02 ppm1      2.185 ppm2      8.441 CV     1
 OR {  258}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 86   and name H   ))
 OR {  258}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 86   and name H   ))
 ASSI {  259}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1899  and name H   ))
      4.200     2.200     1.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      2.185 ppm2      8.713 CV     1
 OR {  259}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1899  and name H   ))
 ASSI {  260}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 83   and name H   ))
      2.600     2.600     3.400 peak   260 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      2.186 ppm2      8.954 CV     1
 OR {  260}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  261}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "A   " and resid 45   and name HE% )
      1.700     1.700     4.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11599E-01 ppm1      2.185 ppm2      7.005 CV     1
 OR {  261}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "A   " and resid 45   and name HE% )
 ASSI {  263}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HD11))
      2.600     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.56097E-02 ppm1      2.186 ppm2     -0.107 CV     1
 OR {  263}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HD13))
 OR {  263}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HD11))
 OR {  263}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HD13))
 OR {  263}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 82   and name HD11))
 ASSI {  265}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HG21))
      1.800     0.400     0.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.20415E-01 ppm1      2.186 ppm2      0.049 CV     1
 OR {  265}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HG21))
 OR {  265}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 82   and name HG21))
 OR {  265}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HG23))
 OR {  265}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HG23))
 OR {  265}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HG22))
 OR {  265}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 82   and name HG23))
 ASSI {  266}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HG12))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.33707E-02 ppm1      2.186 ppm2      0.324 CV     1
 OR {  266}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HG12))
 OR {  266}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 82   and name HG12))
 ASSI {  267}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 9    and name HD23))
      2.300     2.300     3.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.20698E-02 ppm1      2.186 ppm2      0.682 CV     1
 OR {  267}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  267}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  267}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 9    and name HD22))
 OR {  267}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  267}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 9    and name HD22))
 ASSI {  269}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD12))
      2.500     2.500     3.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      2.184 ppm2      0.864 CV     1
 OR {  269}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD11))
 OR {  269}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD13))
 OR {  269}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 58   and name HD12))
 OR {  269}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD11))
 OR {  269}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 58   and name HD11))
 OR {  269}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD12))
 OR {  269}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD13))
 ASSI {  270}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1900  and name HD1%)
      1.700     0.400     0.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.18687E-01 ppm1      2.186 ppm2      0.957 CV     1
 OR {  270}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  270}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  271}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1900  and name HD2%)
      2.400     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.70684E-02 ppm1      2.186 ppm2      1.092 CV     1
 OR {  271}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  271}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  272}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1903  and name HB% )
      1.800     0.400     0.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.18132E-01 ppm1      2.185 ppm2      1.596 CV     1
 OR {  272}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1903  and name HB% )
 OR {  272}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {  273}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 85   and name HG3 ))
      1.800     0.400     0.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.18797E-01 ppm1      2.185 ppm2      2.494 CV     1
 OR {  273}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 85   and name HG3 ))
 OR {  273}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 85   and name HG3 ))
 ASSI {  274}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11922E-01 ppm1      2.186 ppm2      2.581 CV     1
 OR {  274}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 85   and name HB2 ))
 OR {  274}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 85   and name HB2 ))
 ASSI {  275}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 85   and name HG2 ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.99448E-02 ppm1      2.186 ppm2      2.732 CV     1
 OR {  275}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 85   and name HG2 ))
 OR {  275}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 85   and name HG2 ))
 ASSI {  276}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      2.185 ppm2      3.498 CV     1
 OR {  276}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 82   and name HA  ))
 OR {  276}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 82   and name HA  ))
 ASSI {  277}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1900  and name HA  ))
      2.000     0.500     0.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.65938E-02 ppm1      2.186 ppm2      4.198 CV     1
 OR {  277}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {  277}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {  278}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 85   and name HA  ))
      2.200     2.200     3.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.29653E-02 ppm1      2.184 ppm2      4.295 CV     1
 OR {  278}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 85   and name HA  ))
 ASSI {  279}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.400     1.400     1.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.45388E-02 ppm1      2.186 ppm2      4.343 CV     1
 OR {  279}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1903  and name HA  ))
 OR {  279}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1903  and name HA  ))
 ASSI {  280}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.23627E-02 ppm1      2.185 ppm2      4.464 CV     1
 OR {  280}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 45   and name HA  ))
 ASSI {  283}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 86   and name H   ))
      3.000     1.100     1.100 peak   283 spectrum    1 weight  0.10000E+01 volume  0.16040E-02 ppm1      4.266 ppm2      8.357 CV     1
 ASSI {  284}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 85   and name HB3 ))
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.20269E-02 ppm1      4.263 ppm2      2.304 CV     1
 ASSI {  285}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 85   and name HB2 ))
      2.300     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.35831E-02 ppm1      4.263 ppm2      2.467 CV     1
 ASSI {  286}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 85   and name HG3 ))
      3.100     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      4.267 ppm2      2.659 CV     1
 ASSI {  287}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 85   and name HG2 ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.18884E-02 ppm1      4.269 ppm2      2.910 CV     1
 ASSI {  288}
   (( segid "B   " and resid 85   and name HG3 ))
   (( segid "B   " and resid 85   and name HG2 ))
      1.900     0.400     0.400 peak   288 spectrum    1 weight  0.10000E+01 volume  0.48077E-02 ppm1      2.658 ppm2      2.913 CV     1
 ASSI {  293}
   (( segid "B   " and resid 85   and name HG2 ))
   (( segid "B   " and resid 85   and name HB2 ))
      3.100     1.200     1.200 peak   293 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      2.909 ppm2      2.470 CV     1
 ASSI {  294}
   (( segid "B   " and resid 85   and name HG2 ))
   (( segid "B   " and resid 85   and name HB3 ))
      3.100     1.200     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10721E-02 ppm1      2.908 ppm2      2.301 CV     1
 ASSI {  305}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HD12))
      2.300     2.300     3.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.91344E-02 ppm1      2.098 ppm2     -0.164 CV     1
 OR {  305}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HD11))
 OR {  305}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HD12))
 OR {  305}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HD12))
 OR {  305}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HD11))
 ASSI {  306}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HG21))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.56443E-02 ppm1      2.098 ppm2      0.254 CV     1
 OR {  306}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HG23))
 OR {  306}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HG22))
 OR {  306}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HG21))
 OR {  306}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HG23))
 OR {  306}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HG21))
 OR {  306}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HG23))
 ASSI {  307}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HG12))
      3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.16422E-02 ppm1      2.098 ppm2      0.550 CV     1
 OR {  307}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HG12))
 OR {  307}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HG12))
 ASSI {  308}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HG13))
      2.300     2.300     3.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.18921E-02 ppm1      2.097 ppm2      0.466 CV     1
 OR {  308}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HG13))
 OR {  308}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HG13))
 ASSI {  309}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1929  and name HG2%)
      2.300     2.300     3.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.19953E-02 ppm1      2.097 ppm2      0.783 CV     1
 OR {  309}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1929  and name HG2%)
 ASSI {  310}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.500     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.91580E-02 ppm1      2.098 ppm2      0.885 CV     1
 OR {  310}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  310}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  312}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1930  and name HG2%)
      2.100     0.600     0.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.13079E-01 ppm1      2.098 ppm2      1.028 CV     1
 OR {  312}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  312}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1930  and name HG2%)
 ASSI {  313}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name HB3 ))
      2.200     0.600     0.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.53563E-02 ppm1      2.099 ppm2      1.684 CV     1
 OR {  313}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 OR {  313}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI {  314}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 85   and name HB2 ))
      2.200     0.600     0.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.47383E-02 ppm1      2.101 ppm2      2.469 CV     1
 OR {  314}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 85   and name HB2 ))
 OR {  314}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 85   and name HB2 ))
 ASSI {  315}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 85   and name HG3 ))
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.76625E-02 ppm1      2.097 ppm2      2.659 CV     1
 OR {  315}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 85   and name HG3 ))
 OR {  315}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 85   and name HG3 ))
 ASSI {  316}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 85   and name HG2 ))
      2.900     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.70229E-02 ppm1      2.098 ppm2      2.914 CV     1
 OR {  316}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 85   and name HG2 ))
 OR {  316}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 85   and name HG2 ))
 ASSI {  319}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 81   and name HB2 ))
      2.900     2.900     3.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      2.099 ppm2      3.159 CV     1
 ASSI {  321}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name HD2 ))
      2.600     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      2.098 ppm2      3.318 CV     1
 OR {  321}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name HD3 ))
 OR {  321}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1922  and name HD2 ))
 OR {  321}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1922  and name HD3 ))
 ASSI {  322}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name HA  ))
      2.300     0.700     0.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.55532E-02 ppm1      2.098 ppm2      3.686 CV     1
 OR {  322}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name HA  ))
 OR {  322}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name HA  ))
 ASSI {  323}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      2.097 ppm2      3.921 CV     1
 OR {  323}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1918  and name HA  ))
 ASSI {  324}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.400     0.700     0.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.40619E-02 ppm1      2.098 ppm2      4.402 CV     1
 OR {  324}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1929  and name HA  ))
 OR {  324}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1929  and name HA  ))
 ASSI {  325}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1930  and name HA  ))
      2.900     2.900     3.100 peak   325 spectrum    1 weight  0.10000E+01 volume  0.41598E-02 ppm1      2.098 ppm2      4.324 CV     1
 OR {  325}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1930  and name HA  ))
 OR {  325}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1930  and name HA  ))
 ASSI {  326}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.46928E-02 ppm1      2.098 ppm2      4.258 CV     1
 ASSI {  327}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.600     2.600     3.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.10636E-02 ppm1      2.097 ppm2      5.316 CV     1
 OR {  327}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HA  ))
 ASSI {  329}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name H   ))
      2.600     2.600     3.400 peak   329 spectrum    1 weight  0.10000E+01 volume  0.94766E-03 ppm1      2.098 ppm2      7.034 CV     1
 OR {  329}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name H   ))
 OR {  329}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1928  and name H   ))
 ASSI {  330}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1928  and name HD% )
      2.300     2.300     3.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.10227E-01 ppm1      2.098 ppm2      7.302 CV     1
 OR {  330}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  330}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  332}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.100     1.200     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.26553E-02 ppm1      2.098 ppm2      7.203 CV     1
 OR {  332}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  334}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name H   ))
      3.300     1.300     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      2.098 ppm2      7.685 CV     1
 OR {  334}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1922  and name H   ))
 ASSI {  336}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 85   and name H   ))
      3.000     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      2.098 ppm2      8.087 CV     1
 ASSI {  337}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1930  and name H   ))
      2.900     1.000     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.22413E-02 ppm1      2.098 ppm2      8.002 CV     1
 OR {  337}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1930  and name H   ))
 OR {  337}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1930  and name H   ))
 ASSI {  338}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 82   and name H   ))
      3.600     1.600     1.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.13586E-02 ppm1      2.098 ppm2      7.949 CV     1
 OR {  338}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 82   and name H   ))
 OR {  338}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  339}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1929  and name H   ))
      2.400     2.400     3.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.15477E-02 ppm1      2.097 ppm2      8.585 CV     1
 OR {  339}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1929  and name H   ))
 OR {  339}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1929  and name H   ))
 ASSI {  340}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 86   and name H   ))
      2.400     2.400     3.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.16495E-02 ppm1      2.097 ppm2      8.333 CV     1
 OR {  340}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 86   and name H   ))
 ASSI {  341}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 84   and name HG3 ))
      3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      4.059 ppm2      2.799 CV     1
 ASSI {  342}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1      4.060 ppm2      3.155 CV     1
 ASSI {  346}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 84   and name HG3 ))
      1.900     0.500     0.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.39796E-02 ppm1      3.150 ppm2      2.797 CV     1
 ASSI {  347}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 84   and name HB2 ))
      3.500     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.13170E-02 ppm1      3.153 ppm2      2.365 CV     1
 ASSI {  348}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 84   and name HB3 ))
      2.800     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.13352E-02 ppm1      3.151 ppm2      2.295 CV     1
 ASSI {  353}
   (( segid "A   " and resid 84   and name HG3 ))
   (( segid "A   " and resid 84   and name HB2 ))
      2.800     1.000     1.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.14070E-02 ppm1      2.796 ppm2      2.363 CV     1
 ASSI {  354}
   (( segid "A   " and resid 84   and name HG3 ))
   (( segid "A   " and resid 84   and name HB3 ))
      3.600     1.600     1.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.11976E-02 ppm1      2.793 ppm2      2.300 CV     1
 ASSI {  356}
   (( segid "A   " and resid 84   and name HG2 ))
   (  segid "B   " and resid 72   and name HD% )
      3.300     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11001E-02 ppm1      3.148 ppm2      6.219 CV     1
 ASSI {  357}
   (( segid "A   " and resid 84   and name HG3 ))
   (  segid "B   " and resid 72   and name HD% )
      3.200     1.200     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1      2.793 ppm2      6.218 CV     1
 ASSI {  358}
   (( segid "A   " and resid 84   and name HG2 ))
   (  segid "B   " and resid 72   and name HE% )
      4.000     2.000     2.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.77926E-03 ppm1      3.157 ppm2      7.000 CV     1
 ASSI {  359}
   (( segid "A   " and resid 84   and name HG3 ))
   (  segid "B   " and resid 72   and name HE% )
      3.600     1.600     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.80874E-03 ppm1      2.801 ppm2      7.002 CV     1
 ASSI {  360}
   (( segid "A   " and resid 84   and name HA  ))
   (  segid "B   " and resid 72   and name HD% )
      3.600     1.600     1.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      4.052 ppm2      6.214 CV     1
 ASSI {  361}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 85   and name H   ))
      5.000     3.200     1.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.51371E-03 ppm1      3.159 ppm2      7.646 CV     1
 ASSI {  363}
   (( segid "A   " and resid 84   and name HG3 ))
   (( segid "A   " and resid 84   and name H   ))
      2.900     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.10925E-02 ppm1      2.795 ppm2      8.923 CV     1
 ASSI {  367}
   (( segid "A   " and resid 84   and name HG2 ))
   (  segid "C   " and resid 1910  and name HE% )
      5.300     3.400     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.61560E-03 ppm1      3.153 ppm2      2.016 CV     1
 ASSI {  368}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 83   and name HB1 ))
      5.100     3.300     0.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.50354E-03 ppm1      3.150 ppm2      1.738 CV     1
 OR {  368}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 83   and name HB3 ))
 OR {  368}
   (( segid "A   " and resid 84   and name HG2 ))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI {  369}
   (( segid "A   " and resid 84   and name HG3 ))
   (  segid "C   " and resid 1910  and name HE% )
      4.400     2.400     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.58654E-03 ppm1      2.799 ppm2      2.023 CV     1
 ASSI {  370}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 77   and name HG11))
      3.700     1.700     1.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.38301E-02 ppm1      2.223 ppm2      1.161 CV     1
 OR {  370}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  370}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  370}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 77   and name HG13))
 OR {  370}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  370}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 77   and name HG13))
 OR {  370}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  370}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 77   and name HG12))
 ASSI {  371}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1906  and name HG2%)
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.83712E-02 ppm1      2.223 ppm2      1.302 CV     1
 OR {  371}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1906  and name HG2%)
 OR {  371}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1906  and name HG2%)
 ASSI {  372}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 84   and name HG3 ))
      2.100     0.600     0.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.83647E-02 ppm1      2.222 ppm2      2.796 CV     1
 OR {  372}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 84   and name HG3 ))
 OR {  372}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 84   and name HG3 ))
 ASSI {  373}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 84   and name HG2 ))
      2.900     1.100     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.73916E-02 ppm1      2.223 ppm2      3.152 CV     1
 OR {  373}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 84   and name HG2 ))
 OR {  373}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 84   and name HG2 ))
 ASSI {  374}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 81   and name HB2 ))
      3.300     1.400     1.400 peak   374 spectrum    1 weight  0.10000E+01 volume  0.33274E-02 ppm1      2.224 ppm2      3.305 CV     1
 OR {  374}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 81   and name HB2 ))
 OR {  374}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI {  376}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 81   and name HG  ))
      2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.35699E-02 ppm1      2.221 ppm2      2.902 CV     1
 OR {  376}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 81   and name HG  ))
 OR {  376}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 81   and name HG  ))
 ASSI {  377}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name HB3 ))
      2.600     2.600     3.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10972E-01 ppm1      2.223 ppm2      2.561 CV     1
 OR {  377}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {  377}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {  378}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.75995E-02 ppm1      2.223 ppm2      3.956 CV     1
 OR {  378}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 73   and name HA  ))
 OR {  378}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 73   and name HA  ))
 ASSI {  379}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.34553E-02 ppm1      2.222 ppm2      4.058 CV     1
 OR {  379}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 84   and name HA  ))
 OR {  379}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 84   and name HA  ))
 ASSI {  380}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 81   and name HA  ))
      1.700     0.300     0.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16248E-01 ppm1      2.223 ppm2      4.243 CV     1
 OR {  380}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 81   and name HA  ))
 OR {  380}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 81   and name HA  ))
 ASSI {  381}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1906  and name HB  ))
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.22586E-02 ppm1      2.224 ppm2      4.601 CV     1
 OR {  381}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1906  and name HB  ))
 OR {  381}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1906  and name HB  ))
 ASSI {  384}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "B   " and resid 72   and name HD% )
      3.500     1.500     1.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.30216E-02 ppm1      2.223 ppm2      6.217 CV     1
 OR {  384}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "B   " and resid 72   and name HD% )
 OR {  384}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "B   " and resid 72   and name HD% )
 ASSI {  385}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "B   " and resid 72   and name HE% )
      3.900     1.900     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.18715E-02 ppm1      2.222 ppm2      7.006 CV     1
 OR {  385}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "B   " and resid 72   and name HE% )
 OR {  385}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "B   " and resid 72   and name HE% )
 ASSI {  387}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 73   and name HE22))
      4.000     2.000     2.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.27637E-02 ppm1      2.223 ppm2      6.788 CV     1
 OR {  387}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 73   and name HE22))
 OR {  387}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 73   and name HE22))
 ASSI {  388}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 85   and name H   ))
      2.700     2.700     3.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.46647E-02 ppm1      2.222 ppm2      7.648 CV     1
 ASSI {  391}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 76   and name H   ))
      4.500     2.600     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.88177E-03 ppm1      2.219 ppm2      8.350 CV     1
 OR {  391}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 76   and name H   ))
 OR {  391}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 76   and name H   ))
 ASSI {  393}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name H   ))
      4.400     2.400     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.72918E-03 ppm1      2.223 ppm2      8.143 CV     1
 OR {  393}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name H   ))
 OR {  393}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  394}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 81   and name H   ))
      3.600     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.23237E-02 ppm1      2.222 ppm2      8.588 CV     1
 OR {  394}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 81   and name H   ))
 OR {  394}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 81   and name H   ))
 ASSI {  395}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 84   and name H   ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.55988E-02 ppm1      2.223 ppm2      8.919 CV     1
 OR {  395}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 84   and name H   ))
 OR {  395}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 84   and name H   ))
 ASSI {  397}
   (( segid "B   " and resid 84   and name HG2 ))
   (( segid "B   " and resid 84   and name H   ))
      3.900     1.900     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      3.162 ppm2      8.694 CV     1
 ASSI {  401}
   (( segid "B   " and resid 84   and name HB2 ))
   (( segid "B   " and resid 84   and name H   ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14690E-02 ppm1      2.410 ppm2      8.699 CV     1
 ASSI {  402}
   (( segid "B   " and resid 84   and name HB3 ))
   (( segid "B   " and resid 84   and name H   ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.12435E-02 ppm1      2.383 ppm2      8.692 CV     1
 ASSI {  404}
   (( segid "B   " and resid 84   and name HB3 ))
   (( segid "B   " and resid 84   and name HG2 ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.66306E-03 ppm1      2.369 ppm2      3.158 CV     1
 ASSI {  405}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 84   and name HG3 ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      4.097 ppm2      2.823 CV     1
 ASSI {  406}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 84   and name HG2 ))
      3.400     1.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      4.094 ppm2      3.158 CV     1
 ASSI {  408}
   (( segid "B   " and resid 84   and name HG2 ))
   (( segid "B   " and resid 84   and name HB2 ))
      3.300     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.15110E-02 ppm1      3.162 ppm2      2.393 CV     1
 ASSI {  409}
   (( segid "B   " and resid 84   and name HG2 ))
   (( segid "B   " and resid 84   and name HG3 ))
      2.200     0.600     0.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.24321E-02 ppm1      3.167 ppm2      2.830 CV     1
 ASSI {  414}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HG3 ))
      1.700     0.300     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.62968E-02 ppm1      2.839 ppm2      2.384 CV     1
 ASSI {  415}
   (( segid "B   " and resid 84   and name HG2 ))
   (  segid "A   " and resid 72   and name HD% )
      4.400     2.400     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      3.168 ppm2      6.173 CV     1
 ASSI {  416}
   (( segid "B   " and resid 84   and name HG2 ))
   (  segid "A   " and resid 72   and name HE% )
      4.400     2.500     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.62881E-03 ppm1      3.169 ppm2      7.002 CV     1
 ASSI {  417}
   (( segid "B   " and resid 84   and name HG3 ))
   (  segid "A   " and resid 72   and name HE% )
      3.600     1.600     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.69083E-03 ppm1      2.826 ppm2      7.004 CV     1
 ASSI {  418}
   (( segid "B   " and resid 84   and name HG3 ))
   (  segid "A   " and resid 72   and name HD% )
      3.100     1.200     1.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.11003E-02 ppm1      2.829 ppm2      6.166 CV     1
 ASSI {  419}
   (( segid "B   " and resid 84   and name HA  ))
   (  segid "A   " and resid 72   and name HD% )
      3.900     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      4.092 ppm2      6.171 CV     1
 ASSI {  420}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 85   and name H   ))
      3.800     1.800     1.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.38582E-03 ppm1      4.095 ppm2      8.085 CV     1
 ASSI {  421}
   (( segid "B   " and resid 84   and name HA  ))
   (  segid "A   " and resid 72   and name HE% )
      2.800     0.900     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      4.094 ppm2      7.007 CV     1
 ASSI {  422}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "A   " and resid 72   and name HZ  ))
      3.000     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.87702E-03 ppm1      4.091 ppm2      6.922 CV     1
 ASSI {  423}
   (( segid "B   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1914  and name HG2%)
      1.500     0.300     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.33578E-01 ppm1      2.144 ppm2      0.984 CV     1
 OR {  423}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1914  and name HG2%)
 OR {  423}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI {  424}
   (( segid "B   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1914  and name HG1%)
      1.900     0.400     0.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.55988E-02 ppm1      2.144 ppm2      1.168 CV     1
 OR {  424}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  424}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  425}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HG3 ))
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.10927E-01 ppm1      2.145 ppm2      1.542 CV     1
 OR {  425}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HG2 ))
 OR {  425}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HG3 ))
 OR {  425}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HG3 ))
 ASSI {  426}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HD2 ))
      1.800     0.400     0.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.88416E-02 ppm1      2.144 ppm2      1.674 CV     1
 OR {  426}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HD2 ))
 OR {  426}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HD2 ))
 ASSI {  427}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HD3 ))
      1.900     1.900     4.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.12438E-01 ppm1      2.143 ppm2      1.778 CV     1
 OR {  427}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  427}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HD3 ))
 ASSI {  428}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name HB3 ))
      1.500     0.300     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.24125E-01 ppm1      2.145 ppm2      2.385 CV     1
 OR {  428}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name HB3 ))
 OR {  428}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name HB2 ))
 OR {  428}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 84   and name HB3 ))
 OR {  428}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name HB2 ))
 ASSI {  429}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 85   and name HB2 ))
      3.000     1.100     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.81003E-02 ppm1      2.144 ppm2      2.458 CV     1
 OR {  429}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 85   and name HB2 ))
 ASSI {  431}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name HG3 ))
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.72679E-02 ppm1      2.144 ppm2      2.832 CV     1
 OR {  431}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name HG3 ))
 OR {  431}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 84   and name HG3 ))
 ASSI {  432}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 85   and name HG2 ))
      4.700     2.800     1.300 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      2.142 ppm2      2.922 CV     1
 OR {  432}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 85   and name HG2 ))
 ASSI {  433}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
      2.800     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.84451E-02 ppm1      2.144 ppm2      3.049 CV     1
 OR {  433}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 ASSI {  434}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name HG2 ))
      2.300     0.600     0.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.75521E-02 ppm1      2.144 ppm2      3.163 CV     1
 OR {  434}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name HG2 ))
 OR {  434}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 84   and name HG2 ))
 ASSI {  435}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.400     1.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.16370E-02 ppm1      2.144 ppm2      3.414 CV     1
 OR {  435}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 80   and name HB3 ))
 ASSI {  436}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.200     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.19792E-02 ppm1      2.145 ppm2      3.598 CV     1
 OR {  436}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1914  and name HA  ))
 OR {  436}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {  438}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.65309E-02 ppm1      2.144 ppm2      4.098 CV     1
 OR {  438}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name HA  ))
 ASSI {  440}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 81   and name HA  ))
      1.900     0.500     0.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.10140E-01 ppm1      2.144 ppm2      4.374 CV     1
 OR {  440}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 81   and name HA  ))
 OR {  440}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 81   and name HA  ))
 ASSI {  441}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "A   " and resid 72   and name HD% )
      3.600     1.700     1.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.22846E-02 ppm1      2.143 ppm2      6.167 CV     1
 OR {  441}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "A   " and resid 72   and name HD% )
 ASSI {  442}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 73   and name HE22))
      3.200     1.300     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.14831E-02 ppm1      2.145 ppm2      6.788 CV     1
 OR {  442}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 73   and name HE22))
 OR {  442}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 73   and name HE22))
 ASSI {  443}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 81   and name H   ))
      3.000     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.29826E-02 ppm1      2.144 ppm2      7.615 CV     1
 OR {  443}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  444}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 85   and name H   ))
      3.300     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.20072E-02 ppm1      2.141 ppm2      8.092 CV     1
 OR {  444}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 85   and name H   ))
 ASSI {  446}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1915  and name H   ))
      3.800     1.800     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.15843E-02 ppm1      2.143 ppm2      8.445 CV     1
 OR {  446}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1915  and name H   ))
 OR {  446}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1915  and name H   ))
 ASSI {  447}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name H   ))
      3.100     1.200     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.20603E-02 ppm1      2.144 ppm2      8.908 CV     1
 OR {  447}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name H   ))
 OR {  447}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  448}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 83   and name H   ))
      3.000     3.000     3.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.25578E-02 ppm1      2.144 ppm2      8.813 CV     1
 OR {  448}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 83   and name H   ))
 ASSI {  449}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 84   and name H   ))
      3.100     1.200     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.40058E-02 ppm1      2.144 ppm2      8.695 CV     1
 OR {  449}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 84   and name H   ))
 ASSI {  452}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 86   and name HB3 ))
      2.900     1.000     1.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.99751E-03 ppm1      3.875 ppm2      3.080 CV     1
 ASSI {  453}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 86   and name HB2 ))
      3.500     1.500     1.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.11042E-02 ppm1      3.879 ppm2      3.239 CV     1
 ASSI {  455}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 83   and name H   ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20568E-02 ppm1      3.877 ppm2      8.963 CV     1
 ASSI {  456}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 87   and name H   ))
      4.100     2.100     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.54170E-03 ppm1      3.875 ppm2      8.672 CV     1
 ASSI {  458}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 83   and name H   ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.11076E-01 ppm1      1.747 ppm2      8.961 CV     1
 OR {  458}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 83   and name H   ))
 OR {  458}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  459}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 84   and name H   ))
      2.200     0.600     0.600 peak   459 spectrum    1 weight  0.10000E+01 volume  0.69884E-02 ppm1      1.746 ppm2      8.927 CV     1
 OR {  459}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 84   and name H   ))
 OR {  459}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 84   and name H   ))
 ASSI {  462}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 76   and name H   ))
      3.700     1.700     1.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.12416E-02 ppm1      1.744 ppm2      8.319 CV     1
 OR {  462}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 76   and name H   ))
 OR {  462}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 76   and name H   ))
 ASSI {  468}
   (( segid "A   " and resid 83   and name HB1 ))
   (  segid "B   " and resid 72   and name HD% )
      4.000     2.000     2.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12845E-02 ppm1      1.742 ppm2      6.201 CV     1
 OR {  468}
   (( segid "A   " and resid 83   and name HB3 ))
   (  segid "B   " and resid 72   and name HD% )
 OR {  468}
   (( segid "A   " and resid 83   and name HB2 ))
   (  segid "B   " and resid 72   and name HD% )
 ASSI {  470}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.15585E-01 ppm1      1.742 ppm2      3.951 CV     1
 OR {  470}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 83   and name HA  ))
 OR {  470}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 83   and name HA  ))
 ASSI {  471}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.14517E-01 ppm1      1.745 ppm2      3.880 CV     1
 OR {  471}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 83   and name HA  ))
 OR {  471}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 83   and name HA  ))
 ASSI {  472}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.27832E-02 ppm1      1.743 ppm2      4.258 CV     1
 OR {  472}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HA  ))
 OR {  472}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 9    and name HA  ))
 ASSI {  473}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      1.746 ppm2      4.141 CV     1
 OR {  473}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 9    and name HA  ))
 OR {  473}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 9    and name HA  ))
 ASSI {  480}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      1.744 ppm2      2.575 CV     1
 OR {  480}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR {  480}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI {  482}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.80244E-03 ppm1      1.748 ppm2      2.702 CV     1
 OR {  482}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  482}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  484}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HD11))
      3.500     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18047E-02 ppm1      1.744 ppm2      0.463 CV     1
 OR {  484}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name HD11))
 OR {  484}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HD11))
 OR {  484}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  484}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  484}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  484}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  484}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  484}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  484}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  484}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  484}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  484}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HD22))
 ASSI {  485}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 82   and name HG23))
      4.100     2.100     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11423E-02 ppm1      1.740 ppm2      0.255 CV     1
 OR {  485}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 82   and name HG22))
 OR {  485}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 82   and name HG21))
 OR {  485}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 82   and name HG23))
 OR {  485}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 82   and name HG22))
 OR {  485}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 82   and name HG23))
 OR {  485}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 82   and name HG22))
 ASSI {  486}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 82   and name HG23))
      4.100     2.100     1.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.12329E-02 ppm1      1.748 ppm2      0.048 CV     1
 OR {  486}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 82   and name HG23))
 OR {  486}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 82   and name HG23))
 OR {  486}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 82   and name HG22))
 OR {  486}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 82   and name HG22))
 OR {  486}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 82   and name HG22))
 OR {  486}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 82   and name HG21))
 ASSI {  488}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD12))
      2.100     0.600     0.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.17137E-01 ppm1      1.743 ppm2      0.819 CV     1
 OR {  488}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD11))
 OR {  488}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD13))
 OR {  488}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HD12))
 OR {  488}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HD11))
 OR {  488}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 9    and name HD12))
 OR {  488}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HD13))
 OR {  488}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 9    and name HD11))
 OR {  488}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 9    and name HD13))
 ASSI {  492}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 83   and name H   ))
      2.000     0.500     0.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.11118E-01 ppm1      1.740 ppm2      8.819 CV     1
 OR {  492}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 83   and name H   ))
 OR {  492}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 83   and name H   ))
 ASSI {  493}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 84   and name H   ))
      2.300     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.54557E-02 ppm1      1.740 ppm2      8.695 CV     1
 OR {  493}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 84   and name H   ))
 OR {  493}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 84   and name H   ))
 ASSI {  494}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 82   and name H   ))
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.12351E-02 ppm1      1.739 ppm2      7.944 CV     1
 OR {  494}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 82   and name H   ))
 OR {  494}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  495}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 85   and name H   ))
      4.500     2.500     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.68192E-03 ppm1      1.736 ppm2      8.088 CV     1
 OR {  495}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 85   and name H   ))
 OR {  495}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 85   and name H   ))
 ASSI {  498}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 84   and name H   ))
      3.500     1.500     1.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.89827E-03 ppm1      3.874 ppm2      8.931 CV     1
 ASSI {  500}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 86   and name HB2 ))
      3.200     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10359E-02 ppm1      3.950 ppm2      3.417 CV     1
 ASSI {  501}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 86   and name HB3 ))
      3.300     1.400     1.400 peak   501 spectrum    1 weight  0.10000E+01 volume  0.79812E-03 ppm1      3.949 ppm2      3.082 CV     1
 ASSI {  504}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "A   " and resid 9    and name HD12))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.16110E-02 ppm1      3.951 ppm2      0.819 CV     1
 OR {  504}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "A   " and resid 9    and name HD11))
 OR {  504}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "A   " and resid 9    and name HD13))
 ASSI {  507}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "B   " and resid 9    and name HD22))
      5.000     3.100     1.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.45888E-03 ppm1      3.884 ppm2      0.676 CV     1
 OR {  507}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  507}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "B   " and resid 9    and name HD21))
 ASSI {  508}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HG12))
      2.700     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.11269E-02 ppm1      3.493 ppm2      0.321 CV     1
 ASSI {  511}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HB  ))
      2.700     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.16734E-02 ppm1      3.501 ppm2      1.590 CV     1
 ASSI {  512}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HG13))
      3.400     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      3.495 ppm2      1.096 CV     1
 ASSI {  515}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 85   and name HB3 ))
      2.600     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.72266E-03 ppm1      3.494 ppm2      2.264 CV     1
 ASSI {  520}
   (( segid "A   " and resid 82   and name HB  ))
   (( segid "B   " and resid 9    and name HD23))
      4.300     2.300     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.81610E-03 ppm1      1.580 ppm2      0.673 CV     1
 OR {  520}
   (( segid "A   " and resid 82   and name HB  ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  520}
   (( segid "A   " and resid 82   and name HB  ))
   (( segid "B   " and resid 9    and name HD22))
 ASSI {  522}
   (( segid "A   " and resid 82   and name HB  ))
   (( segid "A   " and resid 82   and name HG13))
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.87809E-03 ppm1      1.584 ppm2      1.096 CV     1
 ASSI {  525}
   (( segid "A   " and resid 82   and name HG12))
   (  segid "C   " and resid 1900  and name HD1%)
      2.900     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      0.325 ppm2      0.955 CV     1
 ASSI {  527}
   (( segid "A   " and resid 82   and name HG12))
   (( segid "A   " and resid 82   and name HB  ))
      3.000     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      0.321 ppm2      1.581 CV     1
 ASSI {  529}
   (( segid "A   " and resid 82   and name HG13))
   (( segid "A   " and resid 82   and name HG12))
      1.800     0.400     0.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.28807E-02 ppm1      1.105 ppm2      0.328 CV     1
 ASSI {  530}
   (( segid "A   " and resid 82   and name HG13))
   (  segid "C   " and resid 1900  and name HD1%)
      3.800     1.800     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.10101E-02 ppm1      1.107 ppm2      0.956 CV     1
 ASSI {  532}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 85   and name HB2 ))
      3.800     1.800     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.83192E-03 ppm1      3.497 ppm2      2.586 CV     1
 ASSI {  543}
   (( segid "A   " and resid 82   and name HG13))
   (( segid "A   " and resid 82   and name H   ))
      2.300     0.600     0.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      1.106 ppm2      7.806 CV     1
 ASSI {  547}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HD13))
      2.200     0.600     0.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.10214E-01 ppm1      0.050 ppm2     -0.109 CV     1
 OR {  547}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HD11))
 OR {  547}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HD12))
 OR {  547}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HD13))
 OR {  547}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HD11))
 OR {  547}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HD12))
 OR {  547}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name HD13))
 ASSI {  548}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HG13))
      2.900     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.47816E-02 ppm1      0.050 ppm2      1.100 CV     1
 OR {  548}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HG13))
 OR {  548}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name HG13))
 ASSI {  549}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1900  and name HD1%)
      2.800     1.000     1.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.33339E-02 ppm1      0.050 ppm2      0.957 CV     1
 OR {  549}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  549}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  550}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD11))
      3.400     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.44610E-02 ppm1      0.050 ppm2      0.815 CV     1
 OR {  550}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD12))
 OR {  550}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD13))
 OR {  550}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD11))
 OR {  550}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD12))
 OR {  550}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "B   " and resid 9    and name HD11))
 OR {  550}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD13))
 ASSI {  551}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD23))
      2.800     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.10587E-01 ppm1      0.050 ppm2      0.677 CV     1
 OR {  551}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD21))
 OR {  551}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HD22))
 OR {  551}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD23))
 OR {  551}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD22))
 OR {  551}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "B   " and resid 9    and name HD23))
 OR {  551}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HD21))
 ASSI {  553}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 79   and name HD22))
      4.400     2.400     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      0.051 ppm2      0.437 CV     1
 OR {  553}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 79   and name HD23))
 OR {  553}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 79   and name HD21))
 OR {  553}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 79   and name HD23))
 OR {  553}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 79   and name HD22))
 OR {  553}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 79   and name HD22))
 OR {  553}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 79   and name HD23))
 ASSI {  554}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HG12))
      2.300     0.700     0.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.43829E-02 ppm1      0.049 ppm2      0.320 CV     1
 OR {  554}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HG12))
 OR {  554}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name HG12))
 ASSI {  556}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HB  ))
      2.000     0.500     0.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.85836E-02 ppm1      0.050 ppm2      1.583 CV     1
 OR {  556}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name HB  ))
 OR {  556}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HB  ))
 ASSI {  557}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 85   and name HE3 ))
      2.100     0.500     0.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.74956E-02 ppm1      0.050 ppm2      2.184 CV     1
 OR {  557}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  557}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 85   and name HE2 ))
 OR {  557}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  557}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  557}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  557}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 85   and name HE3 ))
 ASSI {  558}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 9    and name HG  ))
      2.600     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.71746E-03 ppm1      0.050 ppm2      1.912 CV     1
 OR {  558}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 9    and name HG  ))
 OR {  558}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "B   " and resid 9    and name HG  ))
 ASSI {  559}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 83   and name HB3 ))
      4.100     2.100     1.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      0.050 ppm2      1.749 CV     1
 OR {  559}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 83   and name HB2 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 83   and name HB1 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 83   and name HB3 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 83   and name HB2 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 83   and name HB1 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 83   and name HB3 ))
 OR {  559}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI {  561}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 79   and name HD23))
      2.300     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.71314E-02 ppm1     -0.106 ppm2      0.439 CV     1
 OR {  561}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 79   and name HD23))
 OR {  561}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 79   and name HD22))
 OR {  561}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 79   and name HD23))
 OR {  561}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 79   and name HD22))
 OR {  561}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 79   and name HD22))
 OR {  561}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 79   and name HD21))
 ASSI {  562}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 82   and name HG12))
      2.100     0.500     0.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.74110E-02 ppm1     -0.106 ppm2      0.320 CV     1
 OR {  562}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 82   and name HG12))
 OR {  562}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 82   and name HG12))
 ASSI {  563}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 82   and name HG13))
      1.900     0.500     0.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.11133E-01 ppm1     -0.107 ppm2      1.097 CV     1
 OR {  563}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 82   and name HG13))
 OR {  563}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 82   and name HG13))
 ASSI {  564}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1900  and name HD1%)
      2.300     0.700     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.79595E-02 ppm1     -0.106 ppm2      0.956 CV     1
 OR {  564}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  564}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  566}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 9    and name HD11))
      3.200     1.300     1.300 peak   566 spectrum    1 weight  0.10000E+01 volume  0.23063E-02 ppm1     -0.105 ppm2      0.811 CV     1
 OR {  566}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 9    and name HD11))
 OR {  566}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 9    and name HD13))
 OR {  566}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 9    and name HD13))
 OR {  566}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "B   " and resid 9    and name HD11))
 OR {  566}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 9    and name HD12))
 OR {  566}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 9    and name HD12))
 OR {  566}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "B   " and resid 9    and name HD13))
 ASSI {  567}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD21))
      2.100     0.500     0.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.10786E-01 ppm1     -0.107 ppm2      0.697 CV     1
 OR {  567}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD22))
 OR {  567}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD21))
 OR {  567}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HD21))
 OR {  567}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD22))
 OR {  567}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HD22))
 OR {  567}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD23))
 OR {  567}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD23))
 ASSI {  568}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 82   and name HB  ))
      2.500     0.800     0.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.67042E-02 ppm1     -0.107 ppm2      1.584 CV     1
 OR {  568}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 82   and name HB  ))
 OR {  568}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 82   and name HB  ))
 ASSI {  569}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
      3.600     1.600     1.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1     -0.107 ppm2      1.487 CV     1
 OR {  569}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {  569}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {  570}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 9    and name HG  ))
      2.700     0.900     0.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.11805E-02 ppm1     -0.107 ppm2      1.913 CV     1
 OR {  570}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 9    and name HG  ))
 OR {  570}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "B   " and resid 9    and name HG  ))
 ASSI {  573}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 85   and name HB2 ))
      4.500     2.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.78207E-03 ppm1      0.049 ppm2      2.579 CV     1
 OR {  573}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 85   and name HB2 ))
 OR {  573}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 85   and name HB2 ))
 ASSI {  574}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.58244E-02 ppm1      0.050 ppm2      3.497 CV     1
 OR {  574}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name HA  ))
 OR {  574}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name HA  ))
 ASSI {  575}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 79   and name HA  ))
      4.400     2.400     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.14536E-02 ppm1      0.052 ppm2      3.323 CV     1
 OR {  575}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 79   and name HA  ))
 OR {  575}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  576}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 83   and name HA  ))
      3.600     1.600     1.600 peak   576 spectrum    1 weight  0.10000E+01 volume  0.97130E-03 ppm1      0.051 ppm2      3.876 CV     1
 OR {  576}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 83   and name HA  ))
 OR {  576}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 83   and name HA  ))
 ASSI {  577}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 79   and name HA  ))
      2.600     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.39276E-02 ppm1     -0.106 ppm2      3.326 CV     1
 OR {  577}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 79   and name HA  ))
 OR {  577}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  578}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 82   and name HA  ))
      3.600     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.24212E-02 ppm1     -0.106 ppm2      3.497 CV     1
 OR {  578}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 82   and name HA  ))
 OR {  578}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 82   and name HA  ))
 ASSI {  579}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "C   " and resid 1900  and name HA  ))
      4.600     2.700     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.87786E-03 ppm1     -0.106 ppm2      4.201 CV     1
 OR {  579}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {  579}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {  580}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 83   and name H   ))
      3.400     1.400     1.400 peak   580 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      0.050 ppm2      8.965 CV     1
 OR {  580}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 83   and name H   ))
 OR {  580}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  581}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 86   and name H   ))
      3.600     1.600     1.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.78055E-03 ppm1      0.049 ppm2      8.441 CV     1
 OR {  581}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 86   and name H   ))
 OR {  581}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 86   and name H   ))
 ASSI {  583}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 82   and name H   ))
      3.400     1.500     1.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.31690E-02 ppm1      0.050 ppm2      7.804 CV     1
 OR {  583}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 82   and name H   ))
 OR {  583}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 82   and name H   ))
 ASSI {  584}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 85   and name H   ))
      4.400     2.400     1.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.66242E-03 ppm1      0.051 ppm2      7.638 CV     1
 OR {  584}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 85   and name H   ))
 OR {  584}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 85   and name H   ))
 ASSI {  585}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "A   " and resid 45   and name HD% )
      2.900     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17731E-02 ppm1      0.050 ppm2      7.194 CV     1
 OR {  585}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "A   " and resid 45   and name HD% )
 OR {  585}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "A   " and resid 45   and name HD% )
 ASSI {  586}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "A   " and resid 45   and name HE% )
      2.600     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.33597E-02 ppm1      0.050 ppm2      7.012 CV     1
 OR {  586}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "A   " and resid 45   and name HE% )
 OR {  586}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "A   " and resid 45   and name HE% )
 ASSI {  588}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "A   " and resid 45   and name HD% )
      3.800     1.800     1.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1     -0.106 ppm2      7.195 CV     1
 OR {  588}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "A   " and resid 45   and name HD% )
 OR {  588}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "A   " and resid 45   and name HD% )
 ASSI {  589}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "A   " and resid 78   and name HD% )
      2.800     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.23388E-02 ppm1     -0.107 ppm2      7.104 CV     1
 OR {  589}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "A   " and resid 78   and name HD% )
 ASSI {  590}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
      2.400     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.52152E-02 ppm1     -0.107 ppm2      7.031 CV     1
 OR {  590}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
 OR {  590}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
 ASSI {  591}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 82   and name H   ))
      3.600     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.32732E-02 ppm1     -0.107 ppm2      7.806 CV     1
 OR {  591}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 82   and name H   ))
 OR {  591}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 82   and name H   ))
 ASSI {  593}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 81   and name H   ))
      5.100     3.200     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.54625E-03 ppm1     -0.106 ppm2      8.585 CV     1
 OR {  593}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 81   and name H   ))
 OR {  593}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 81   and name H   ))
 ASSI {  594}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 83   and name H   ))
      4.300     2.400     1.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1     -0.105 ppm2      8.963 CV     1
 OR {  594}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 83   and name H   ))
 OR {  594}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  601}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "B   " and resid 82   and name H   ))
      2.600     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14709E-02 ppm1      0.554 ppm2      7.939 CV     1
 ASSI {  605}
   (( segid "B   " and resid 82   and name HB  ))
   (( segid "B   " and resid 82   and name HA  ))
      3.300     1.300     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.81329E-03 ppm1      1.637 ppm2      3.684 CV     1
 ASSI {  607}
   (( segid "B   " and resid 82   and name HA  ))
   (( segid "B   " and resid 85   and name HB2 ))
      3.600     1.600     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.81306E-03 ppm1      3.685 ppm2      2.470 CV     1
 ASSI {  610}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "B   " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.78620E-03 ppm1      0.553 ppm2      3.288 CV     1
 ASSI {  611}
   (( segid "B   " and resid 82   and name HG13))
   (( segid "B   " and resid 82   and name HB  ))
      2.600     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      0.476 ppm2      1.652 CV     1
 ASSI {  612}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "B   " and resid 82   and name HB  ))
      2.800     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.19218E-02 ppm1      0.551 ppm2      1.646 CV     1
 ASSI {  617}
   (( segid "B   " and resid 82   and name HA  ))
   (( segid "B   " and resid 82   and name HG12))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.89197E-03 ppm1      3.682 ppm2      0.559 CV     1
 ASSI {  618}
   (( segid "B   " and resid 82   and name HA  ))
   (( segid "B   " and resid 82   and name HG13))
      3.900     1.900     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.10541E-02 ppm1      3.678 ppm2      0.473 CV     1
 ASSI {  625}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 83   and name H   ))
      3.300     1.300     1.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.25448E-02 ppm1      0.256 ppm2      8.818 CV     1
 OR {  625}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 83   and name H   ))
 OR {  625}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 83   and name H   ))
 ASSI {  626}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 84   and name H   ))
      4.900     3.000     1.100 peak   626 spectrum    1 weight  0.10000E+01 volume  0.42508E-03 ppm1      0.256 ppm2      8.703 CV     1
 OR {  626}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 84   and name H   ))
 OR {  626}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 84   and name H   ))
 ASSI {  628}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 86   and name H   ))
      4.200     2.200     1.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.63404E-03 ppm1      0.254 ppm2      8.351 CV     1
 OR {  628}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 86   and name H   ))
 OR {  628}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 86   and name H   ))
 ASSI {  629}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 85   and name H   ))
      4.400     2.400     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.51199E-03 ppm1      0.258 ppm2      8.087 CV     1
 OR {  629}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 85   and name H   ))
 OR {  629}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 85   and name H   ))
 ASSI {  630}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name H   ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.31322E-02 ppm1      0.255 ppm2      7.941 CV     1
 OR {  630}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name H   ))
 OR {  630}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  631}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 81   and name H   ))
      4.800     2.900     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.51674E-03 ppm1      0.254 ppm2      7.615 CV     1
 OR {  631}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 81   and name H   ))
 OR {  631}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  632}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "B   " and resid 45   and name HD% )
      2.700     0.900     0.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.28114E-02 ppm1      0.255 ppm2      7.310 CV     1
 OR {  632}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "B   " and resid 45   and name HD% )
 OR {  632}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "B   " and resid 45   and name HD% )
 ASSI {  633}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.400     1.500     1.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.18576E-02 ppm1      0.255 ppm2      7.199 CV     1
 OR {  633}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  633}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  634}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "B   " and resid 45   and name HE% )
      3.000     1.200     1.200 peak   634 spectrum    1 weight  0.10000E+01 volume  0.26488E-02 ppm1      0.255 ppm2      7.144 CV     1
 OR {  634}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "B   " and resid 45   and name HE% )
 OR {  634}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "B   " and resid 45   and name HE% )
 ASSI {  635}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "B   " and resid 78   and name HD% )
      4.500     2.500     1.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.65699E-03 ppm1      0.256 ppm2      7.018 CV     1
 OR {  635}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "B   " and resid 78   and name HD% )
 OR {  635}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "B   " and resid 78   and name HD% )
 ASSI {  636}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "B   " and resid 78   and name HE% )
      4.600     2.700     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.84125E-03 ppm1      0.254 ppm2      6.897 CV     1
 OR {  636}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "B   " and resid 78   and name HE% )
 OR {  636}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "B   " and resid 78   and name HE% )
 ASSI {  637}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 83   and name H   ))
      4.100     2.100     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.11022E-02 ppm1     -0.163 ppm2      8.819 CV     1
 OR {  637}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 83   and name H   ))
 ASSI {  641}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name H   ))
      3.700     1.700     1.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.28569E-02 ppm1     -0.163 ppm2      7.942 CV     1
 OR {  641}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name H   ))
 OR {  641}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  644}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
      2.600     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.43502E-02 ppm1     -0.163 ppm2      7.300 CV     1
 OR {  644}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  644}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  645}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.13175E-02 ppm1     -0.163 ppm2      7.202 CV     1
 OR {  645}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  645}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  646}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "B   " and resid 45   and name HE% )
      2.700     2.700     3.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.80593E-03 ppm1     -0.164 ppm2      7.139 CV     1
 OR {  646}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "B   " and resid 45   and name HE% )
 OR {  646}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "B   " and resid 45   and name HE% )
 ASSI {  647}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "B   " and resid 78   and name HD% )
      3.400     1.400     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17750E-02 ppm1     -0.164 ppm2      7.010 CV     1
 OR {  647}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "B   " and resid 78   and name HD% )
 OR {  647}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "B   " and resid 78   and name HD% )
 ASSI {  648}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "B   " and resid 78   and name HE% )
      3.000     1.100     1.100 peak   648 spectrum    1 weight  0.10000E+01 volume  0.41681E-02 ppm1     -0.163 ppm2      6.893 CV     1
 OR {  648}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "B   " and resid 78   and name HE% )
 OR {  648}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "B   " and resid 78   and name HE% )
 ASSI {  649}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 78   and name HZ  ))
      2.900     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1     -0.163 ppm2      6.817 CV     1
 OR {  649}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 78   and name HZ  ))
 OR {  649}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI {  651}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 83   and name HA  ))
      3.700     1.700     1.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.94072E-03 ppm1      0.252 ppm2      3.951 CV     1
 OR {  651}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 83   and name HA  ))
 OR {  651}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 83   and name HA  ))
 ASSI {  652}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.53214E-02 ppm1      0.255 ppm2      3.684 CV     1
 OR {  652}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HA  ))
 OR {  652}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HA  ))
 ASSI {  653}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 45   and name HB2 ))
      4.000     2.000     2.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.65028E-03 ppm1      0.256 ppm2      3.418 CV     1
 OR {  653}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 45   and name HB2 ))
 OR {  653}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 45   and name HB2 ))
 ASSI {  654}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.15808E-02 ppm1      0.254 ppm2      3.289 CV     1
 OR {  654}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  654}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  655}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 85   and name HB2 ))
      4.400     2.500     1.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.73309E-03 ppm1      0.255 ppm2      2.464 CV     1
 OR {  655}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 85   and name HB2 ))
 OR {  655}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 85   and name HB2 ))
 ASSI {  659}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 85   and name HE3 ))
      3.500     1.600     1.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      0.254 ppm2      2.096 CV     1
 OR {  659}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 85   and name HE3 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 85   and name HE3 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 85   and name HE2 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 85   and name HE2 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  659}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {  660}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 12   and name HE2 ))
      4.600     2.600     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.66719E-03 ppm1      0.252 ppm2      1.903 CV     1
 OR {  660}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  660}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "A   " and resid 12   and name HE1 ))
 ASSI {  662}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HB  ))
      2.100     0.600     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.74087E-02 ppm1      0.255 ppm2      1.646 CV     1
 OR {  662}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HB  ))
 OR {  662}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HB  ))
 ASSI {  663}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HD11))
      2.200     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.11341E-01 ppm1      0.255 ppm2     -0.164 CV     1
 OR {  663}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HD11))
 OR {  663}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HD11))
 OR {  663}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HD12))
 OR {  663}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HD13))
 OR {  663}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HD13))
 OR {  663}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HD12))
 OR {  663}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HD12))
 ASSI {  666}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HG12))
      3.000     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.38237E-02 ppm1      0.254 ppm2      0.554 CV     1
 OR {  666}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HG12))
 OR {  666}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HG12))
 ASSI {  667}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 82   and name HG13))
      2.700     0.900     0.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.53301E-02 ppm1      0.254 ppm2      0.469 CV     1
 OR {  667}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 82   and name HG13))
 OR {  667}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 82   and name HG13))
 ASSI {  670}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1929  and name HG1%)
      3.800     1.900     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.66913E-03 ppm1      0.251 ppm2      0.897 CV     1
 OR {  670}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  670}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  674}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 38   and name HD21))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.34139E-02 ppm1     -0.163 ppm2      1.036 CV     1
 OR {  674}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 38   and name HD21))
 OR {  674}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 38   and name HD22))
 OR {  674}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 38   and name HD22))
 OR {  674}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 38   and name HD21))
 OR {  674}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 38   and name HD23))
 OR {  674}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 38   and name HD22))
 OR {  674}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 38   and name HD23))
 ASSI {  676}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD12))
      2.200     2.200     3.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1     -0.163 ppm2      0.785 CV     1
 OR {  676}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD12))
 OR {  676}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD13))
 OR {  676}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD13))
 OR {  676}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 42   and name HD12))
 OR {  676}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD11))
 OR {  676}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD11))
 OR {  676}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 42   and name HD13))
 ASSI {  677}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD21))
      2.400     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.71811E-02 ppm1     -0.163 ppm2      0.680 CV     1
 OR {  677}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD21))
 OR {  677}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD23))
 OR {  677}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD23))
 OR {  677}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 42   and name HD22))
 OR {  677}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name HD22))
 OR {  677}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 42   and name HD21))
 OR {  677}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 42   and name HD23))
 ASSI {  678}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name HG12))
      2.200     0.600     0.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.71010E-02 ppm1     -0.163 ppm2      0.556 CV     1
 OR {  678}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name HG12))
 OR {  678}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 82   and name HG12))
 ASSI {  679}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name HG13))
      2.000     0.500     0.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.12501E-01 ppm1     -0.163 ppm2      0.467 CV     1
 OR {  679}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 82   and name HG13))
 OR {  679}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name HG13))
 ASSI {  681}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 82   and name HB  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.38734E-02 ppm1     -0.163 ppm2      1.646 CV     1
 OR {  681}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name HB  ))
 OR {  681}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name HB  ))
 ASSI {  682}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 85   and name HE3 ))
      2.900     1.000     1.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28482E-02 ppm1     -0.163 ppm2      2.094 CV     1
 OR {  682}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 85   and name HE3 ))
 OR {  682}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  682}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 85   and name HE2 ))
 OR {  682}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  682}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {  683}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 45   and name HB3 ))
      3.300     1.300     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.93856E-03 ppm1     -0.162 ppm2      3.089 CV     1
 OR {  683}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 45   and name HB3 ))
 OR {  683}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 45   and name HB3 ))
 ASSI {  684}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 45   and name HB2 ))
      3.400     1.500     1.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.85968E-03 ppm1     -0.161 ppm2      3.413 CV     1
 OR {  684}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 45   and name HB2 ))
 OR {  684}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 45   and name HB2 ))
 ASSI {  685}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.27789E-02 ppm1     -0.163 ppm2      3.287 CV     1
 OR {  685}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  685}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  686}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.52152E-02 ppm1     -0.162 ppm2      3.685 CV     1
 OR {  686}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 82   and name HA  ))
 OR {  686}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name HA  ))
 ASSI {  688}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 84   and name HB3 ))
      4.900     3.000     1.100 peak   688 spectrum    1 weight  0.10000E+01 volume  0.97217E-03 ppm1      4.239 ppm2      2.313 CV     1
 ASSI {  689}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.94247E-03 ppm1      4.239 ppm2      2.361 CV     1
 ASSI {  690}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HG  ))
      2.900     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.17072E-02 ppm1      4.235 ppm2      2.905 CV     1
 ASSI {  691}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HB3 ))
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      4.238 ppm2      2.786 CV     1
 ASSI {  692}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HB2 ))
      2.800     1.000     1.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      4.239 ppm2      3.317 CV     1
 ASSI {  693}
   (( segid "A   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1904  and name HG2%)
      3.200     1.300     1.300 peak   693 spectrum    1 weight  0.10000E+01 volume  0.86421E-03 ppm1      3.316 ppm2      1.485 CV     1
 ASSI {  694}
   (( segid "A   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1903  and name HB% )
      4.800     2.900     1.200 peak   694 spectrum    1 weight  0.10000E+01 volume  0.44739E-03 ppm1      3.307 ppm2      1.604 CV     1
 ASSI {  695}
   (( segid "A   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1904  and name HG2%)
      2.900     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.91993E-03 ppm1      2.790 ppm2      1.486 CV     1
 ASSI {  697}
   (( segid "A   " and resid 81   and name HB2 ))
   (( segid "A   " and resid 81   and name HB3 ))
      2.200     0.600     0.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.13706E-02 ppm1      3.312 ppm2      2.788 CV     1
 ASSI {  698}
   (( segid "A   " and resid 81   and name HB2 ))
   (( segid "A   " and resid 81   and name HG  ))
      2.700     0.900     0.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.16613E-02 ppm1      3.315 ppm2      2.904 CV     1
 ASSI {  699}
   (( segid "A   " and resid 81   and name HB3 ))
   (( segid "A   " and resid 81   and name HG  ))
      3.100     1.200     1.200 peak   699 spectrum    1 weight  0.10000E+01 volume  0.18693E-02 ppm1      2.790 ppm2      2.903 CV     1
 ASSI {  705}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 82   and name H   ))
      3.000     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.85730E-03 ppm1      4.241 ppm2      7.811 CV     1
 ASSI {  708}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.300     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.90347E-03 ppm1      4.374 ppm2      0.991 CV     1
 ASSI {  710}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 84   and name HB3 ))
      2.700     0.900     0.900 peak   710 spectrum    1 weight  0.10000E+01 volume  0.14570E-02 ppm1      4.371 ppm2      2.387 CV     1
 OR {  710}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 84   and name HB2 ))
 ASSI {  712}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 81   and name HB3 ))
      2.600     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.19847E-02 ppm1      4.373 ppm2      2.575 CV     1
 ASSI {  713}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 81   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.16090E-02 ppm1      4.374 ppm2      3.159 CV     1
 ASSI {  714}
   (( segid "B   " and resid 81   and name HB2 ))
   (( segid "B   " and resid 81   and name HB3 ))
      1.900     0.500     0.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.37588E-02 ppm1      3.161 ppm2      2.571 CV     1
 ASSI {  715}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.900     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.14946E-02 ppm1      3.164 ppm2      0.927 CV     1
 ASSI {  716}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.200     1.300     1.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.83973E-03 ppm1      3.152 ppm2      1.183 CV     1
 ASSI {  717}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD1%)
      3.100     1.200     1.200 peak   717 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      2.579 ppm2      0.926 CV     1
 ASSI {  718}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.79311E-03 ppm1      2.575 ppm2      1.190 CV     1
 ASSI {  725}
   (( segid "B   " and resid 81   and name HB3 ))
   (( segid "B   " and resid 81   and name H   ))
      3.000     1.100     1.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12836E-02 ppm1      2.565 ppm2      7.622 CV     1
 ASSI {  729}
   (( segid "B   " and resid 81   and name HB3 ))
   (( segid "B   " and resid 82   and name H   ))
      3.500     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.56097E-03 ppm1      2.577 ppm2      7.950 CV     1
 ASSI {  733}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HB3 ))
      2.500     0.800     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      3.960 ppm2      3.430 CV     1
 ASSI {  734}
   (( segid "A   " and resid 80   and name HB2 ))
   (( segid "A   " and resid 80   and name HB3 ))
      2.000     0.500     0.500 peak   734 spectrum    1 weight  0.10000E+01 volume  0.15136E-02 ppm1      4.261 ppm2      3.428 CV     1
 ASSI {  741}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 83   and name HB3 ))
      2.900     1.000     1.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1      3.960 ppm2      1.747 CV     1
 OR {  741}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 83   and name HB1 ))
 OR {  741}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI {  742}
   (( segid "A   " and resid 80   and name HB3 ))
   (  segid "C   " and resid 1910  and name HE% )
      3.000     1.100     1.100 peak   742 spectrum    1 weight  0.10000E+01 volume  0.81329E-03 ppm1      3.436 ppm2      2.011 CV     1
 ASSI {  745}
   (( segid "B   " and resid 80   and name HB2 ))
   (( segid "A   " and resid 76   and name HG  ))
      3.500     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.88329E-03 ppm1      4.316 ppm2      3.268 CV     1
 ASSI {  747}
   (( segid "B   " and resid 80   and name HB3 ))
   (( segid "A   " and resid 76   and name HG  ))
      3.500     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      3.416 ppm2      3.290 CV     1
 ASSI {  749}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 81   and name H   ))
      3.700     1.700     1.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.56833E-03 ppm1      3.883 ppm2      7.617 CV     1
 ASSI {  751}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      3.883 ppm2      4.302 CV     1
 ASSI {  752}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 80   and name HB3 ))
      2.600     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.17828E-02 ppm1      3.880 ppm2      3.421 CV     1
 ASSI {  753}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "A   " and resid 76   and name HG  ))
      3.500     1.500     1.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      3.880 ppm2      3.272 CV     1
 ASSI {  754}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.72809E-03 ppm1      3.880 ppm2      3.161 CV     1
 ASSI {  755}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "A   " and resid 76   and name HB3 ))
      3.400     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.92577E-03 ppm1      3.880 ppm2      2.557 CV     1
 ASSI {  757}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      3.887 ppm2      1.739 CV     1
 OR {  757}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 83   and name HB1 ))
 OR {  757}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 83   and name HB3 ))
 ASSI {  759}
   (( segid "B   " and resid 80   and name HB2 ))
   (  segid "C   " and resid 1914  and name HG1%)
      3.800     1.800     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.66242E-03 ppm1      4.312 ppm2      1.166 CV     1
 ASSI {  760}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 79   and name H   ))
      2.700     0.900     0.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.10875E-02 ppm1      3.324 ppm2      8.168 CV     1
 ASSI {  761}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 82   and name H   ))
      3.900     1.900     1.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.68734E-03 ppm1      3.319 ppm2      7.805 CV     1
 ASSI {  763}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "A   " and resid 80   and name H   ))
      2.900     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.73351E-03 ppm1      1.641 ppm2      8.276 CV     1
 ASSI {  764}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 80   and name H   ))
      3.500     1.500     1.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.55665E-03 ppm1      3.331 ppm2      8.287 CV     1
 ASSI {  771}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      3.327 ppm2      1.030 CV     1
 ASSI {  772}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 82   and name HG13))
      2.000     0.500     0.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.95764E-03 ppm1      3.327 ppm2      1.083 CV     1
 ASSI {  773}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 79   and name HG  ))
      3.300     1.300     1.300 peak   773 spectrum    1 weight  0.10000E+01 volume  0.49617E-03 ppm1      3.327 ppm2      1.246 CV     1
 ASSI {  774}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      3.329 ppm2      1.646 CV     1
 ASSI {  776}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 82   and name HB  ))
      3.400     1.500     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      3.325 ppm2      1.594 CV     1
 ASSI {  781}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 9    and name HD13))
      4.600     2.700     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.51329E-03 ppm1      1.649 ppm2      0.810 CV     1
 OR {  781}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 9    and name HD11))
 OR {  781}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 9    and name HD12))
 ASSI {  782}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "A   " and resid 79   and name HB3 ))
      2.000     0.500     0.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      1.645 ppm2      1.034 CV     1
 ASSI {  783}
   (( segid "A   " and resid 79   and name HB2 ))
   (( segid "A   " and resid 79   and name HG  ))
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.76147E-03 ppm1      1.656 ppm2      1.261 CV     1
 ASSI {  787}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 79   and name HG  ))
      3.400     1.400     1.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.67630E-03 ppm1      1.042 ppm2      1.250 CV     1
 ASSI {  796}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 9    and name HD13))
      3.300     1.400     1.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.26770E-02 ppm1      0.563 ppm2      0.817 CV     1
 OR {  796}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 9    and name HD13))
 OR {  796}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 9    and name HD13))
 OR {  796}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 9    and name HD11))
 OR {  796}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 9    and name HD12))
 OR {  796}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 9    and name HD11))
 OR {  796}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 9    and name HD11))
 OR {  796}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 9    and name HD12))
 OR {  796}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 9    and name HD12))
 ASSI {  797}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 79   and name HB3 ))
      2.400     0.700     0.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.46583E-02 ppm1      0.565 ppm2      1.040 CV     1
 OR {  797}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 79   and name HB3 ))
 OR {  797}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 79   and name HB3 ))
 ASSI {  798}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 5    and name HD11))
      2.500     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.58047E-02 ppm1      0.567 ppm2      1.084 CV     1
 OR {  798}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 5    and name HD11))
 OR {  798}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 5    and name HD13))
 OR {  798}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 5    and name HD13))
 OR {  798}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 5    and name HD11))
 OR {  798}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 5    and name HD12))
 OR {  798}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 5    and name HD12))
 OR {  798}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 5    and name HD13))
 OR {  798}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 5    and name HD12))
 ASSI {  799}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 79   and name HG  ))
      2.000     0.500     0.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.78966E-02 ppm1      0.566 ppm2      1.262 CV     1
 OR {  799}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 79   and name HG  ))
 OR {  799}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI {  800}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.46754E-02 ppm1      0.566 ppm2      1.648 CV     1
 OR {  800}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 79   and name HB2 ))
 OR {  800}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 79   and name HB2 ))
 ASSI {  801}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 8    and name HB2 ))
      3.400     1.400     1.400 peak   801 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      0.565 ppm2      1.709 CV     1
 OR {  801}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 8    and name HB1 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "B   " and resid 8    and name HB3 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 8    and name HB1 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 8    and name HB2 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 8    and name HB2 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 8    and name HB1 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 8    and name HB3 ))
 OR {  801}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "B   " and resid 8    and name HB3 ))
 ASSI {  804}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HB2 ))
      4.400     2.400     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.10678E-02 ppm1      0.566 ppm2      2.573 CV     1
 OR {  804}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HB2 ))
 OR {  804}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI {  805}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HG3 ))
      3.100     1.200     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.30650E-02 ppm1      0.566 ppm2      2.384 CV     1
 OR {  805}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  805}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI {  806}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HB3 ))
      3.500     1.600     1.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      0.566 ppm2      2.196 CV     1
 OR {  806}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HB3 ))
 OR {  806}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HB3 ))
 ASSI {  807}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.22825E-02 ppm1      0.566 ppm2      3.324 CV     1
 OR {  807}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 79   and name HA  ))
 OR {  807}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  808}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 76   and name HA  ))
      3.200     1.200     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.23865E-02 ppm1      0.566 ppm2      3.575 CV     1
 OR {  808}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 76   and name HA  ))
 OR {  808}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 76   and name HA  ))
 ASSI {  809}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HA  ))
      3.000     1.200     1.200 peak   809 spectrum    1 weight  0.10000E+01 volume  0.13990E-02 ppm1      0.566 ppm2      4.066 CV     1
 OR {  809}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HA  ))
 OR {  809}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI {  810}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HD13))
      2.000     0.500     0.500 peak   810 spectrum    1 weight  0.10000E+01 volume  0.14967E-01 ppm1      0.441 ppm2      0.564 CV     1
 OR {  810}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HD12))
 OR {  810}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HD11))
 OR {  810}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HD12))
 OR {  810}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HD13))
 OR {  810}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HD11))
 OR {  810}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HD12))
 OR {  810}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HD13))
 ASSI {  813}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD13))
      2.300     0.600     0.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.74307E-02 ppm1      0.441 ppm2      0.814 CV     1
 OR {  813}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD11))
 OR {  813}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD12))
 OR {  813}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 9    and name HD11))
 OR {  813}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 9    and name HD13))
 OR {  813}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HD13))
 OR {  813}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HD11))
 OR {  813}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 9    and name HD12))
 ASSI {  815}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 82   and name HG13))
      2.400     0.700     0.700 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12843E-01 ppm1      0.441 ppm2      1.077 CV     1
 OR {  815}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 82   and name HG13))
 OR {  815}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 82   and name HG13))
 ASSI {  816}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HB3 ))
      2.300     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.54732E-02 ppm1      0.440 ppm2      1.031 CV     1
 OR {  816}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HB3 ))
 OR {  816}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HB3 ))
 ASSI {  817}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HG  ))
      1.900     0.500     0.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.81697E-02 ppm1      0.441 ppm2      1.263 CV     1
 OR {  817}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HG  ))
 OR {  817}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI {  818}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.45759E-02 ppm1      0.441 ppm2      1.648 CV     1
 OR {  818}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HB2 ))
 OR {  818}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HB2 ))
 ASSI {  819}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 82   and name HB  ))
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1      0.441 ppm2      1.575 CV     1
 OR {  819}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 82   and name HB  ))
 OR {  819}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 82   and name HB  ))
 ASSI {  822}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.76667E-03 ppm1      0.441 ppm2      2.117 CV     1
 OR {  822}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 5    and name HB2 ))
 OR {  822}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI {  824}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HG2 ))
      4.600     2.700     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.61712E-03 ppm1      0.444 ppm2      2.858 CV     1
 OR {  824}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HG2 ))
 OR {  824}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI {  826}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name HA  ))
      1.800     0.400     0.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11724E-01 ppm1      0.441 ppm2      3.327 CV     1
 OR {  826}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name HA  ))
 OR {  826}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  827}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      0.443 ppm2      3.568 CV     1
 OR {  827}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 76   and name HA  ))
 OR {  827}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 76   and name HA  ))
 ASSI {  830}
   (( segid "A   " and resid 79   and name HD13))
   (  segid "A   " and resid 78   and name HD% )
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.84732E-03 ppm1      0.567 ppm2      7.110 CV     1
 OR {  830}
   (( segid "A   " and resid 79   and name HD11))
   (  segid "A   " and resid 78   and name HD% )
 OR {  830}
   (( segid "A   " and resid 79   and name HD12))
   (  segid "A   " and resid 78   and name HD% )
 ASSI {  831}
   (( segid "A   " and resid 79   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
      4.000     2.000     2.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.77057E-03 ppm1      0.567 ppm2      7.011 CV     1
 OR {  831}
   (( segid "A   " and resid 79   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
 OR {  831}
   (( segid "A   " and resid 79   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
 ASSI {  832}
   (( segid "A   " and resid 79   and name HD13))
   (  segid "A   " and resid 75   and name HD% )
      3.700     1.700     1.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.74781E-03 ppm1      0.564 ppm2      6.918 CV     1
 OR {  832}
   (( segid "A   " and resid 79   and name HD11))
   (  segid "A   " and resid 75   and name HD% )
 OR {  832}
   (( segid "A   " and resid 79   and name HD12))
   (  segid "A   " and resid 75   and name HD% )
 ASSI {  833}
   (( segid "A   " and resid 79   and name HD13))
   (  segid "A   " and resid 75   and name HE% )
      3.000     1.100     1.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.18424E-02 ppm1      0.565 ppm2      6.700 CV     1
 OR {  833}
   (( segid "A   " and resid 79   and name HD11))
   (  segid "A   " and resid 75   and name HE% )
 OR {  833}
   (( segid "A   " and resid 79   and name HD12))
   (  segid "A   " and resid 75   and name HE% )
 ASSI {  834}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "B   " and resid 82   and name H   ))
      3.300     1.400     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.55642E-03 ppm1      0.561 ppm2      7.943 CV     1
 OR {  834}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 82   and name H   ))
 OR {  834}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  836}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name H   ))
      4.500     2.500     1.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.74804E-03 ppm1      0.563 ppm2      8.809 CV     1
 OR {  836}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name H   ))
 OR {  836}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name H   ))
 ASSI {  839}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 80   and name H   ))
      4.300     2.300     1.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      0.566 ppm2      8.275 CV     1
 OR {  839}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 80   and name H   ))
 OR {  839}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 80   and name H   ))
 ASSI {  840}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 79   and name H   ))
      3.400     1.500     1.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.31799E-02 ppm1      0.566 ppm2      8.167 CV     1
 OR {  840}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 79   and name H   ))
 OR {  840}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 79   and name H   ))
 ASSI {  841}
   (( segid "A   " and resid 79   and name HD23))
   (  segid "A   " and resid 78   and name HD% )
      2.900     1.000     1.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.30650E-02 ppm1      0.440 ppm2      7.113 CV     1
 OR {  841}
   (( segid "A   " and resid 79   and name HD21))
   (  segid "A   " and resid 78   and name HD% )
 OR {  841}
   (( segid "A   " and resid 79   and name HD22))
   (  segid "A   " and resid 78   and name HD% )
 ASSI {  842}
   (( segid "A   " and resid 79   and name HD23))
   (  segid "A   " and resid 78   and name HE% )
      2.600     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.22521E-02 ppm1      0.441 ppm2      7.029 CV     1
 OR {  842}
   (( segid "A   " and resid 79   and name HD21))
   (  segid "A   " and resid 78   and name HE% )
 OR {  842}
   (( segid "A   " and resid 79   and name HD22))
   (  segid "A   " and resid 78   and name HE% )
 ASSI {  843}
   (( segid "A   " and resid 79   and name HD23))
   (  segid "A   " and resid 75   and name HD% )
      2.700     2.700     3.300 peak   843 spectrum    1 weight  0.10000E+01 volume  0.82714E-03 ppm1      0.440 ppm2      6.924 CV     1
 OR {  843}
   (( segid "A   " and resid 79   and name HD21))
   (  segid "A   " and resid 75   and name HD% )
 OR {  843}
   (( segid "A   " and resid 79   and name HD22))
   (  segid "A   " and resid 75   and name HD% )
 ASSI {  844}
   (( segid "A   " and resid 79   and name HD21))
   (  segid "A   " and resid 75   and name HE% )
      3.000     1.100     1.100 peak   844 spectrum    1 weight  0.10000E+01 volume  0.19218E-02 ppm1      0.441 ppm2      6.708 CV     1
 OR {  844}
   (( segid "A   " and resid 79   and name HD23))
   (  segid "A   " and resid 75   and name HE% )
 OR {  844}
   (( segid "A   " and resid 79   and name HD22))
   (  segid "A   " and resid 75   and name HE% )
 ASSI {  845}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 82   and name H   ))
      4.700     2.800     1.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      0.440 ppm2      7.803 CV     1
 OR {  845}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 82   and name H   ))
 OR {  845}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 82   and name H   ))
 ASSI {  846}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 80   and name H   ))
      4.200     2.200     1.800 peak   846 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      0.440 ppm2      8.275 CV     1
 OR {  846}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 80   and name H   ))
 OR {  846}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 80   and name H   ))
 ASSI {  847}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 79   and name H   ))
      3.000     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.39276E-02 ppm1      0.441 ppm2      8.167 CV     1
 OR {  847}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 79   and name H   ))
 OR {  847}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 79   and name H   ))
 ASSI {  848}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 83   and name H   ))
      4.900     3.000     1.100 peak   848 spectrum    1 weight  0.10000E+01 volume  0.68582E-03 ppm1      0.442 ppm2      8.965 CV     1
 OR {  848}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 83   and name H   ))
 OR {  848}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  850}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HD21))
      2.800     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.48403E-02 ppm1      3.290 ppm2      0.462 CV     1
 OR {  850}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HD22))
 OR {  850}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  850}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  850}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HD11))
 ASSI {  853}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HB3 ))
      2.700     0.900     0.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.16342E-02 ppm1      3.282 ppm2      1.013 CV     1
 ASSI {  854}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 79   and name HG  ))
      2.900     1.000     1.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.78856E-03 ppm1      3.289 ppm2      1.219 CV     1
 ASSI {  856}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 82   and name HB  ))
      2.900     1.000     1.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.12966E-02 ppm1      3.287 ppm2      1.643 CV     1
 ASSI {  857}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HD11))
      2.600     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.28135E-02 ppm1      1.430 ppm2      0.467 CV     1
 OR {  857}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  857}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  857}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  857}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HD21))
 ASSI {  858}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HB3 ))
      1.800     0.400     0.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.30173E-02 ppm1      1.435 ppm2      1.007 CV     1
 ASSI {  859}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HG  ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.13552E-02 ppm1      1.437 ppm2      1.212 CV     1
 ASSI {  861}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.11232E-02 ppm1      1.433 ppm2      3.287 CV     1
 ASSI {  863}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HD21))
      2.400     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.35244E-02 ppm1      1.012 ppm2      0.467 CV     1
 OR {  863}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR {  863}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HD11))
 OR {  863}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR {  863}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HD13))
 ASSI {  864}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 9    and name HD13))
      3.500     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.66371E-03 ppm1      1.006 ppm2      0.816 CV     1
 OR {  864}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 9    and name HD11))
 OR {  864}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 9    and name HD12))
 ASSI {  865}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 79   and name HG  ))
      2.900     1.000     1.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      1.011 ppm2      1.218 CV     1
 ASSI {  870}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "B   " and resid 79   and name HD22))
      2.200     0.600     0.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.43047E-02 ppm1      1.223 ppm2      0.466 CV     1
 OR {  870}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "B   " and resid 79   and name HD13))
 OR {  870}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "B   " and resid 79   and name HD21))
 OR {  870}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  870}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "B   " and resid 79   and name HD11))
 ASSI {  879}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 80   and name H   ))
      3.600     1.600     1.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.60540E-03 ppm1      1.015 ppm2      8.238 CV     1
 ASSI {  881}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 83   and name H   ))
      2.300     2.300     3.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.23258E-02 ppm1      0.472 ppm2      8.987 CV     1
 OR {  881}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 83   and name H   ))
 OR {  881}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  882}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name H   ))
      5.100     3.200     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.56530E-03 ppm1      0.471 ppm2      8.677 CV     1
 OR {  882}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name H   ))
 OR {  882}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name H   ))
 ASSI {  883}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 79   and name H   ))
      3.300     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.21351E-02 ppm1      0.472 ppm2      8.581 CV     1
 OR {  883}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 79   and name H   ))
 OR {  883}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  884}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 76   and name H   ))
      4.100     2.100     1.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      0.471 ppm2      8.326 CV     1
 OR {  884}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 76   and name H   ))
 OR {  884}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 76   and name H   ))
 ASSI {  885}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 80   and name H   ))
      2.700     2.700     3.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.83757E-03 ppm1      0.472 ppm2      8.240 CV     1
 OR {  885}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 80   and name H   ))
 OR {  885}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 80   and name H   ))
 ASSI {  886}
   (( segid "B   " and resid 79   and name HD13))
   (  segid "B   " and resid 78   and name HD% )
      3.200     1.300     1.300 peak   886 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      0.471 ppm2      7.006 CV     1
 OR {  886}
   (( segid "B   " and resid 79   and name HD12))
   (  segid "B   " and resid 78   and name HD% )
 OR {  886}
   (( segid "B   " and resid 79   and name HD11))
   (  segid "B   " and resid 78   and name HD% )
 ASSI {  887}
   (( segid "B   " and resid 79   and name HD13))
   (  segid "B   " and resid 75   and name HD% )
      3.200     1.300     1.300 peak   887 spectrum    1 weight  0.10000E+01 volume  0.96371E-03 ppm1      0.472 ppm2      6.904 CV     1
 OR {  887}
   (( segid "B   " and resid 79   and name HD12))
   (  segid "B   " and resid 75   and name HD% )
 OR {  887}
   (( segid "B   " and resid 79   and name HD11))
   (  segid "B   " and resid 75   and name HD% )
 ASSI {  888}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 82   and name H   ))
      4.000     2.000     2.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      0.462 ppm2      7.939 CV     1
 OR {  888}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 82   and name H   ))
 ASSI {  889}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 80   and name H   ))
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.11915E-02 ppm1      0.463 ppm2      8.242 CV     1
 ASSI {  890}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 83   and name H   ))
      2.600     2.600     3.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.90453E-03 ppm1      0.463 ppm2      8.987 CV     1
 OR {  890}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 83   and name H   ))
 OR {  890}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 83   and name H   ))
 ASSI {  891}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 83   and name H   ))
      4.300     2.300     1.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.76777E-03 ppm1      0.463 ppm2      8.821 CV     1
 OR {  891}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 83   and name H   ))
 ASSI {  892}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 79   and name H   ))
      3.400     1.500     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.33946E-02 ppm1      0.462 ppm2      8.580 CV     1
 OR {  892}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  893}
   (( segid "B   " and resid 79   and name HD12))
   (  segid "B   " and resid 75   and name HE% )
      2.700     0.900     0.900 peak   893 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      0.472 ppm2      6.653 CV     1
 OR {  893}
   (( segid "B   " and resid 79   and name HD13))
   (  segid "B   " and resid 75   and name HE% )
 OR {  893}
   (( segid "B   " and resid 79   and name HD11))
   (  segid "B   " and resid 75   and name HE% )
 ASSI {  894}
   (( segid "B   " and resid 79   and name HD22))
   (  segid "B   " and resid 78   and name HD% )
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.32861E-02 ppm1      0.462 ppm2      7.010 CV     1
 OR {  894}
   (( segid "B   " and resid 79   and name HD21))
   (  segid "B   " and resid 78   and name HD% )
 ASSI {  895}
   (( segid "B   " and resid 79   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
      2.900     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.24407E-02 ppm1      0.463 ppm2      6.895 CV     1
 OR {  895}
   (( segid "B   " and resid 79   and name HD21))
   (  segid "B   " and resid 78   and name HE% )
 ASSI {  896}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 78   and name HZ  ))
      4.000     2.000     2.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.70578E-03 ppm1      0.463 ppm2      6.827 CV     1
 OR {  896}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI {  897}
   (( segid "B   " and resid 79   and name HD22))
   (  segid "B   " and resid 75   and name HE% )
      3.000     1.100     1.100 peak   897 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      0.463 ppm2      6.657 CV     1
 ASSI {  899}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.14636E-02 ppm1      0.472 ppm2      4.051 CV     1
 OR {  899}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HA  ))
 OR {  899}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI {  902}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.18817E-02 ppm1      0.474 ppm2      3.559 CV     1
 OR {  902}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 76   and name HA  ))
 OR {  902}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 76   and name HA  ))
 ASSI {  903}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.23800E-02 ppm1      0.472 ppm2      3.285 CV     1
 OR {  903}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  903}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  904}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.31257E-02 ppm1      0.473 ppm2      2.695 CV     1
 OR {  904}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  904}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  905}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HB3 ))
      2.800     1.000     1.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.59891E-02 ppm1      0.472 ppm2      2.398 CV     1
 OR {  905}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  905}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  905}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  905}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  905}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  905}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  907}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.48988E-02 ppm1      0.472 ppm2      1.433 CV     1
 OR {  907}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 79   and name HB2 ))
 OR {  907}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 79   and name HB2 ))
 ASSI {  908}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 79   and name HG  ))
      2.100     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.68105E-02 ppm1      0.473 ppm2      1.217 CV     1
 OR {  908}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 79   and name HG  ))
 OR {  908}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI {  909}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 15   and name HG23))
      2.800     2.800     3.200 peak   909 spectrum    1 weight  0.10000E+01 volume  0.66112E-03 ppm1      0.473 ppm2      1.504 CV     1
 OR {  909}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 15   and name HG21))
 OR {  909}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 15   and name HG22))
 OR {  909}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 15   and name HG23))
 OR {  909}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 15   and name HG21))
 OR {  909}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 15   and name HG22))
 OR {  909}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 15   and name HG23))
 OR {  909}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 15   and name HG21))
 OR {  909}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 15   and name HG22))
 ASSI {  910}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 82   and name HB  ))
      4.300     2.400     1.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.60388E-03 ppm1      0.475 ppm2      1.643 CV     1
 OR {  910}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 82   and name HB  ))
 OR {  910}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 82   and name HB  ))
 ASSI {  911}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 8    and name HB2 ))
      4.100     2.100     1.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.91322E-03 ppm1      0.474 ppm2      1.683 CV     1
 OR {  911}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 8    and name HB3 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 8    and name HB2 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 8    and name HB3 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  911}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI {  913}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD13))
      3.700     1.700     1.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.38107E-02 ppm1      0.473 ppm2      0.819 CV     1
 OR {  913}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD13))
 OR {  913}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD11))
 OR {  913}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD11))
 OR {  913}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 9    and name HD13))
 OR {  913}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 9    and name HD11))
 OR {  913}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD12))
 OR {  913}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD12))
 ASSI {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD23))
      2.600     0.800     0.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.11514E-01 ppm1      0.472 ppm2      1.043 CV     1
 OR {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD21))
 OR {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD11))
 OR {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD22))
 OR {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD13))
 OR {  914}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 5    and name HD23))
 OR {  914}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HD23))
 OR {  914}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HD12))
 OR {  914}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 5    and name HD11))
 OR {  914}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HD11))
 OR {  914}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 5    and name HD13))
 OR {  914}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HD21))
 OR {  914}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HD13))
 OR {  914}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 5    and name HD12))
 OR {  914}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HD12))
 ASSI {  915}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 79   and name HB3 ))
      2.700     0.900     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.58047E-02 ppm1      0.473 ppm2      1.004 CV     1
 OR {  915}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 79   and name HB3 ))
 OR {  915}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 79   and name HB3 ))
 ASSI {  917}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD13))
      2.200     0.600     0.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.65570E-02 ppm1      0.463 ppm2      0.817 CV     1
 OR {  917}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD11))
 OR {  917}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD12))
 OR {  917}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD13))
 OR {  917}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 9    and name HD13))
 OR {  917}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD11))
 OR {  917}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD12))
 ASSI {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD11))
      2.000     0.500     0.500 peak   918 spectrum    1 weight  0.10000E+01 volume  0.14584E-01 ppm1      0.462 ppm2      1.041 CV     1
 OR {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD13))
 OR {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD12))
 OR {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD23))
 OR {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD21))
 OR {  918}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 5    and name HD13))
 OR {  918}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 5    and name HD11))
 OR {  918}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HD22))
 OR {  918}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 5    and name HD12))
 OR {  918}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 5    and name HD13))
 OR {  918}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 5    and name HD11))
 OR {  918}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 5    and name HD12))
 ASSI {  919}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 79   and name HG  ))
      1.900     0.500     0.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.92642E-02 ppm1      0.462 ppm2      1.216 CV     1
 OR {  919}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 79   and name HG  ))
 OR {  919}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI {  920}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 79   and name HB3 ))
      2.000     0.500     0.500 peak   920 spectrum    1 weight  0.10000E+01 volume  0.64530E-02 ppm1      0.462 ppm2      1.005 CV     1
 OR {  920}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 79   and name HB3 ))
 OR {  920}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 79   and name HB3 ))
 ASSI {  921}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.42766E-02 ppm1      0.463 ppm2      1.431 CV     1
 OR {  921}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 79   and name HB2 ))
 OR {  921}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 79   and name HB2 ))
 ASSI {  922}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 82   and name HB  ))
      3.200     1.300     1.300 peak   922 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      0.463 ppm2      1.648 CV     1
 OR {  922}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 82   and name HB  ))
 ASSI {  924}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HG  ))
      3.100     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.14393E-02 ppm1      0.463 ppm2      1.806 CV     1
 ASSI {  925}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 83   and name HB1 ))
      3.800     1.800     1.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.89956E-03 ppm1      0.463 ppm2      1.733 CV     1
 OR {  925}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 83   and name HB3 ))
 OR {  925}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 83   and name HB2 ))
 OR {  925}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 83   and name HB1 ))
 OR {  925}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 83   and name HB3 ))
 ASSI {  927}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HG3 ))
      3.200     1.300     1.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.21468E-02 ppm1      0.464 ppm2      2.398 CV     1
 OR {  927}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  927}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  927}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  927}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  927}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI {  928}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.11557E-02 ppm1      0.463 ppm2      2.694 CV     1
 OR {  928}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  928}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  929}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.72570E-03 ppm1      0.463 ppm2      4.055 CV     1
 OR {  929}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HA  ))
 OR {  929}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI {  930}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 79   and name HA  ))
      2.300     0.700     0.700 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10506E-01 ppm1      0.462 ppm2      3.288 CV     1
 OR {  930}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  930}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  931}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 76   and name HA  ))
      4.800     2.800     1.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.78097E-03 ppm1      0.460 ppm2      3.561 CV     1
 OR {  931}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 76   and name HA  ))
 OR {  931}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 76   and name HA  ))
 ASSI {  934}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 62   and name HD12))
      3.300     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.16886E-02 ppm1      4.277 ppm2      0.923 CV     1
 OR {  934}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 62   and name HD13))
 OR {  934}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 62   and name HD11))
 ASSI {  936}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "C   " and resid 1904  and name HG2%)
      2.900     1.100     1.100 peak   936 spectrum    1 weight  0.10000E+01 volume  0.90434E-03 ppm1      4.274 ppm2      1.486 CV     1
 ASSI {  937}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 78   and name HB3 ))
      3.300     1.300     1.300 peak   937 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      4.278 ppm2      3.454 CV     1
 ASSI {  938}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.87744E-03 ppm1      4.284 ppm2      3.825 CV     1
 ASSI {  939}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 62   and name HD12))
      3.500     1.500     1.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.73677E-03 ppm1      3.834 ppm2      0.929 CV     1
 OR {  939}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 62   and name HD13))
 OR {  939}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 62   and name HD11))
 ASSI {  942}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 78   and name HB3 ))
      2.200     0.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.83085E-03 ppm1      3.827 ppm2      3.455 CV     1
 ASSI {  954}
   (( segid "A   " and resid 78   and name HB3 ))
   (( segid "A   " and resid 79   and name H   ))
      3.300     1.400     1.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.33142E-03 ppm1      3.450 ppm2      8.159 CV     1
 ASSI {  961}
   (( segid "B   " and resid 78   and name HB3 ))
   (( segid "B   " and resid 79   and name H   ))
      3.200     1.200     1.200 peak   961 spectrum    1 weight  0.10000E+01 volume  0.59197E-03 ppm1      3.236 ppm2      8.581 CV     1
 ASSI {  962}
   (( segid "B   " and resid 78   and name HA  ))
   (( segid "B   " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak   962 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      4.333 ppm2      3.413 CV     1
 ASSI {  964}
   (( segid "B   " and resid 78   and name HB2 ))
   (( segid "B   " and resid 78   and name HB3 ))
      2.100     0.600     0.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.11597E-02 ppm1      3.406 ppm2      3.234 CV     1
 ASSI {  967}
   (( segid "B   " and resid 78   and name HB3 ))
   (( segid "B   " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   967 spectrum    1 weight  0.10000E+01 volume  0.96545E-03 ppm1      3.239 ppm2      4.330 CV     1
 ASSI {  968}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   968 spectrum    1 weight  0.10000E+01 volume  0.16140E-02 ppm1      4.327 ppm2      2.927 CV     1
 ASSI {  971}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 81   and name H   ))
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.67759E-03 ppm1      3.445 ppm2      8.590 CV     1
 ASSI {  973}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 80   and name H   ))
      3.200     1.300     1.300 peak   973 spectrum    1 weight  0.10000E+01 volume  0.13985E-02 ppm1      3.444 ppm2      8.277 CV     1
 ASSI {  975}
   (( segid "A   " and resid 77   and name HB  ))
   (( segid "A   " and resid 78   and name H   ))
      3.800     1.800     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.72505E-03 ppm1      2.372 ppm2      8.241 CV     1
 ASSI {  977}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name H   ))
      3.000     1.100     1.100 peak   977 spectrum    1 weight  0.10000E+01 volume  0.20195E-02 ppm1      0.960 ppm2      9.006 CV     1
 OR {  977}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name H   ))
 OR {  977}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name H   ))
 ASSI {  979}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name H   ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      0.962 ppm2      8.810 CV     1
 OR {  979}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name H   ))
 OR {  979}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {  980}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name H   ))
      2.300     0.600     0.600 peak   980 spectrum    1 weight  0.10000E+01 volume  0.84948E-02 ppm1      0.961 ppm2      8.433 CV     1
 OR {  980}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 77   and name H   ))
 OR {  980}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name H   ))
 ASSI {  982}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 47   and name H   ))
      2.700     2.700     3.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.57983E-02 ppm1      0.961 ppm2      8.250 CV     1
 ASSI {  983}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 45   and name H   ))
      3.300     1.400     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.13038E-02 ppm1      0.959 ppm2      8.044 CV     1
 OR {  983}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 45   and name H   ))
 OR {  983}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 45   and name H   ))
 ASSI {  985}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD21))
      2.600     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.19411E-02 ppm1      0.961 ppm2      7.829 CV     1
 OR {  985}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD21))
 OR {  985}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {  987}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD22))
      3.900     1.900     1.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.14971E-02 ppm1      0.962 ppm2      7.432 CV     1
 OR {  987}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD22))
 OR {  987}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD22))
 ASSI {  988}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name H   ))
      3.100     1.200     1.200 peak   988 spectrum    1 weight  0.10000E+01 volume  0.20831E-02 ppm1      1.157 ppm2      9.003 CV     1
 ASSI {  990}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 81   and name H   ))
      4.300     2.300     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.85403E-03 ppm1      1.161 ppm2      8.588 CV     1
 OR {  990}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 81   and name H   ))
 OR {  990}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 81   and name H   ))
 ASSI {  991}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name H   ))
      2.200     0.600     0.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.27550E-02 ppm1      1.157 ppm2      8.433 CV     1
 OR {  991}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 77   and name H   ))
 OR {  991}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name H   ))
 ASSI {  992}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 78   and name H   ))
      2.700     0.900     0.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.19543E-02 ppm1      1.159 ppm2      8.247 CV     1
 OR {  992}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 78   and name H   ))
 OR {  992}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 78   and name H   ))
 ASSI {  993}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name H   ))
      3.700     1.800     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.19894E-02 ppm1      1.158 ppm2      8.143 CV     1
 OR {  993}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name H   ))
 OR {  993}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  994}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HD21))
      2.400     0.700     0.700 peak   994 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      1.156 ppm2      7.828 CV     1
 OR {  994}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HD21))
 OR {  994}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {  995}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name H   ))
      4.900     2.900     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.12347E-02 ppm1      1.156 ppm2      7.693 CV     1
 OR {  995}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name H   ))
 OR {  995}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name H   ))
 ASSI {  996}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HD22))
      3.500     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.22261E-02 ppm1      1.156 ppm2      7.432 CV     1
 OR {  996}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HD22))
 OR {  996}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HD22))
 ASSI {  997}
   (( segid "A   " and resid 77   and name HG21))
   (  segid "A   " and resid 78   and name HD% )
      4.900     3.000     1.100 peak   997 spectrum    1 weight  0.10000E+01 volume  0.61299E-03 ppm1      1.156 ppm2      7.114 CV     1
 OR {  997}
   (( segid "A   " and resid 77   and name HG23))
   (  segid "A   " and resid 78   and name HD% )
 OR {  997}
   (( segid "A   " and resid 77   and name HG22))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 1001}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1907  and name HA  ))
      3.800     1.800     1.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.15516E-02 ppm1      0.962 ppm2      3.773 CV     1
 OR { 1001}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1907  and name HA  ))
 OR { 1001}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI { 1004}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.15845E-02 ppm1      3.440 ppm2      3.295 CV     1
 ASSI { 1005}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.85881E-02 ppm1      0.961 ppm2      3.442 CV     1
 OR { 1005}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name HA  ))
 OR { 1005}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 1007}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.600     0.800     0.800 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      0.960 ppm2      3.154 CV     1
 OR { 1007}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HB2 ))
 OR { 1007}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HB2 ))
 ASSI { 1008}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.45020E-02 ppm1      1.158 ppm2      3.446 CV     1
 OR { 1008}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 77   and name HA  ))
 OR { 1008}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 1009}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name HA  ))
      2.800     1.000     1.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.89455E-02 ppm1      1.157 ppm2      3.772 CV     1
 OR { 1009}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name HA  ))
 OR { 1009}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI { 1010}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.16229E-02 ppm1      1.157 ppm2      4.323 CV     1
 OR { 1010}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 74   and name HA  ))
 OR { 1010}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 74   and name HA  ))
 ASSI { 1011}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.700     0.900     0.900 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.14633E-02 ppm1      1.157 ppm2      3.155 CV     1
 OR { 1011}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HB2 ))
 OR { 1011}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HB2 ))
 ASSI { 1012}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 81   and name HB2 ))
      4.000     2.000     2.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      1.157 ppm2      3.303 CV     1
 OR { 1012}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 81   and name HB2 ))
 OR { 1012}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI { 1013}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 81   and name HG  ))
      3.500     1.500     1.500 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.39993E-02 ppm1      1.156 ppm2      2.906 CV     1
 OR { 1013}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 81   and name HG  ))
 OR { 1013}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 81   and name HG  ))
 ASSI { 1014}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 81   and name HG  ))
      4.300     2.300     1.700 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.79443E-03 ppm1      0.962 ppm2      2.912 CV     1
 OR { 1014}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 81   and name HG  ))
 OR { 1014}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 81   and name HG  ))
 ASSI { 1018}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
      3.500     1.500     1.500 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.95742E-03 ppm1      3.444 ppm2      2.008 CV     1
 OR { 1018}
   (( segid "A   " and resid 77   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
 OR { 1018}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI { 1021}
   (( segid "A   " and resid 77   and name HB  ))
   (( segid "A   " and resid 74   and name HA  ))
      4.600     2.600     1.400 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.89827E-03 ppm1      2.371 ppm2      4.329 CV     1
 ASSI { 1022}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name HG22))
      1.900     0.500     0.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.24407E-01 ppm1      0.961 ppm2      1.162 CV     1
 OR { 1022}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name HG23))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name HG22))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 77   and name HG23))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 77   and name HG22))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name HG23))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name HG21))
 OR { 1022}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name HG21))
 ASSI { 1026}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 43   and name HB2 ))
      2.400     2.400     3.600 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.16556E-02 ppm1      0.961 ppm2      2.464 CV     1
 OR { 1026}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 43   and name HB2 ))
 ASSI { 1027}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 77   and name HB  ))
      2.000     0.500     0.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.83040E-02 ppm1      0.961 ppm2      2.365 CV     1
 OR { 1027}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 77   and name HB  ))
 OR { 1027}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 77   and name HB  ))
 ASSI { 1028}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HB2 ))
      3.500     1.500     1.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.26596E-02 ppm1      0.961 ppm2      2.269 CV     1
 OR { 1028}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HB2 ))
 OR { 1028}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI { 1030}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.000     2.000     2.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      0.960 ppm2      2.692 CV     1
 OR { 1030}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HB3 ))
 OR { 1030}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HB3 ))
 ASSI { 1031}
   (( segid "A   " and resid 77   and name HG21))
   (  segid "C   " and resid 1907  and name HB% )
      1.900     0.400     0.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.11406E-01 ppm1      1.157 ppm2      1.645 CV     1
 OR { 1031}
   (( segid "A   " and resid 77   and name HG22))
   (  segid "C   " and resid 1907  and name HB% )
 OR { 1031}
   (( segid "A   " and resid 77   and name HG23))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI { 1032}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name HG11))
      2.100     0.600     0.600 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.12965E-01 ppm1      1.157 ppm2      0.958 CV     1
 OR { 1032}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name HG11))
 OR { 1032}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name HG12))
 OR { 1032}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name HG13))
 OR { 1032}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name HG13))
 OR { 1032}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name HG12))
 OR { 1032}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 77   and name HG11))
 ASSI { 1033}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG3 ))
      3.100     1.200     1.200 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.71617E-02 ppm1      1.157 ppm2      1.995 CV     1
 OR { 1033}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1033}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1033}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR { 1033}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR { 1033}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI { 1034}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HB2 ))
      2.800     2.800     3.200 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.57463E-02 ppm1      1.157 ppm2      2.266 CV     1
 OR { 1034}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HB2 ))
 OR { 1034}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI { 1035}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 77   and name HB  ))
      2.100     0.600     0.600 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.51438E-02 ppm1      1.157 ppm2      2.366 CV     1
 OR { 1035}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 77   and name HB  ))
 OR { 1035}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 77   and name HB  ))
 ASSI { 1037}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.000     2.000     2.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.78317E-03 ppm1      1.157 ppm2      2.690 CV     1
 ASSI { 1039}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 80   and name H   ))
      3.100     1.200     1.200 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      3.426 ppm2      8.240 CV     1
 ASSI { 1040}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 78   and name H   ))
      3.200     1.300     1.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.71291E-03 ppm1      3.420 ppm2      7.679 CV     1
 ASSI { 1043}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 78   and name H   ))
      2.600     0.800     0.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.28027E-02 ppm1      1.161 ppm2      7.672 CV     1
 OR { 1043}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 78   and name H   ))
 OR { 1043}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 78   and name H   ))
 ASSI { 1044}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name H   ))
      4.800     2.900     1.200 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.83127E-03 ppm1      1.160 ppm2      7.823 CV     1
 OR { 1044}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name H   ))
 OR { 1044}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI { 1045}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 77   and name H   ))
      2.100     0.600     0.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.89740E-02 ppm1      1.161 ppm2      8.383 CV     1
 OR { 1045}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 77   and name H   ))
 OR { 1045}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name H   ))
 ASSI { 1046}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 74   and name H   ))
      4.600     2.600     1.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.65896E-03 ppm1      1.159 ppm2      8.899 CV     1
 OR { 1046}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 74   and name H   ))
 OR { 1046}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 74   and name H   ))
 ASSI { 1047}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name H   ))
      4.400     2.400     1.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.12537E-02 ppm1      1.160 ppm2      8.813 CV     1
 OR { 1047}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name H   ))
 OR { 1047}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI { 1049}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 78   and name H   ))
      3.200     1.300     1.300 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.20076E-02 ppm1      1.019 ppm2      7.678 CV     1
 OR { 1049}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 78   and name H   ))
 OR { 1049}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 78   and name H   ))
 ASSI { 1050}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name H   ))
      4.300     2.300     1.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.10374E-02 ppm1      1.019 ppm2      7.821 CV     1
 OR { 1050}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI { 1051}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1917  and name H   ))
      3.800     1.900     1.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.17633E-02 ppm1      1.020 ppm2      8.139 CV     1
 OR { 1051}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1917  and name H   ))
 OR { 1051}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1917  and name H   ))
 ASSI { 1052}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name H   ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.29176E-02 ppm1      1.021 ppm2      8.383 CV     1
 OR { 1052}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 77   and name H   ))
 OR { 1052}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name H   ))
 ASSI { 1053}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1918  and name H   ))
      4.500     2.500     1.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.89000E-03 ppm1      1.019 ppm2      8.904 CV     1
 OR { 1053}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1918  and name H   ))
 OR { 1053}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI { 1054}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name H   ))
      3.100     1.200     1.200 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      1.020 ppm2      8.815 CV     1
 OR { 1054}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name H   ))
 OR { 1054}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI { 1055}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 81   and name H   ))
      3.500     1.600     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.90563E-03 ppm1      1.019 ppm2      7.624 CV     1
 OR { 1055}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 81   and name H   ))
 OR { 1055}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 81   and name H   ))
 ASSI { 1057}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 77   and name HB  ))
      2.700     0.900     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.10088E-02 ppm1      3.424 ppm2      2.291 CV     1
 ASSI { 1058}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.81264E-02 ppm1      1.161 ppm2      3.423 CV     1
 OR { 1058}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 77   and name HA  ))
 OR { 1058}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name HA  ))
 ASSI { 1059}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name HA  ))
      3.800     1.800     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.20453E-02 ppm1      1.161 ppm2      3.598 CV     1
 OR { 1059}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name HA  ))
 OR { 1059}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI { 1061}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.31582E-02 ppm1      1.161 ppm2      4.010 CV     1
 OR { 1061}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1061}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 74   and name HA  ))
 ASSI { 1064}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 76   and name HB2 ))
      4.200     2.200     1.800 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      1.161 ppm2      3.113 CV     1
 OR { 1064}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 76   and name HB2 ))
 OR { 1064}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 76   and name HB2 ))
 ASSI { 1066}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.56401E-02 ppm1      1.021 ppm2      3.421 CV     1
 OR { 1066}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name HA  ))
 OR { 1066}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name HA  ))
 ASSI { 1067}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name HA  ))
      1.700     0.400     0.500 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.12746E-01 ppm1      1.020 ppm2      3.600 CV     1
 OR { 1067}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name HA  ))
 OR { 1067}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI { 1068}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      1.020 ppm2      4.015 CV     1
 OR { 1068}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1068}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 74   and name HA  ))
 ASSI { 1072}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HG2 ))
      4.000     2.000     2.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      1.164 ppm2      2.496 CV     1
 OR { 1072}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HG2 ))
 OR { 1072}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG2 ))
 ASSI { 1073}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 73   and name HG2 ))
      2.800     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.32493E-02 ppm1      1.161 ppm2      2.418 CV     1
 OR { 1073}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 73   and name HG2 ))
 OR { 1073}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 73   and name HG2 ))
 ASSI { 1074}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 77   and name HB  ))
      1.800     0.400     0.400 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.14846E-01 ppm1      1.161 ppm2      2.305 CV     1
 OR { 1074}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name HB  ))
 OR { 1074}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 77   and name HB  ))
 ASSI { 1075}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 77   and name HB  ))
      1.800     0.400     0.400 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.11850E-01 ppm1      1.021 ppm2      2.306 CV     1
 OR { 1075}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name HB  ))
 OR { 1075}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name HB  ))
 ASSI { 1077}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HG2 ))
      3.800     1.800     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      1.022 ppm2      2.501 CV     1
 OR { 1077}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HG2 ))
 ASSI { 1079}
   (( segid "B   " and resid 77   and name HG11))
   (  segid "C   " and resid 1910  and name HE% )
      2.900     1.000     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.10147E-01 ppm1      1.161 ppm2      2.010 CV     1
 OR { 1079}
   (( segid "B   " and resid 77   and name HG12))
   (  segid "C   " and resid 1910  and name HE% )
 OR { 1079}
   (( segid "B   " and resid 77   and name HG13))
   (  segid "C   " and resid 1910  and name HE% )
 OR { 1079}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR { 1079}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1079}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1079}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI { 1080}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
      2.900     1.000     1.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.98234E-03 ppm1      3.423 ppm2      2.008 CV     1
 OR { 1080}
   (( segid "B   " and resid 77   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
 OR { 1080}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI { 1085}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name HG22))
      2.000     0.500     0.500 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.15706E-01 ppm1      1.161 ppm2      1.018 CV     1
 OR { 1085}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 77   and name HG22))
 OR { 1085}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 77   and name HG22))
 OR { 1085}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name HG23))
 OR { 1085}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 77   and name HG23))
 OR { 1085}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 77   and name HG23))
 OR { 1085}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 77   and name HG21))
 ASSI { 1087}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1917  and name HB2 ))
      2.500     0.800     0.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.35592E-02 ppm1      1.021 ppm2      1.640 CV     1
 OR { 1087}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1917  and name HB2 ))
 OR { 1087}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1917  and name HB2 ))
 ASSI { 1089}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name H   ))
      2.900     1.100     1.100 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      3.573 ppm2      8.460 CV     1
 ASSI { 1099}
   (( segid "A   " and resid 76   and name HB3 ))
   (( segid "A   " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.95157E-03 ppm1      2.552 ppm2      3.568 CV     1
 ASSI { 1102}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.100     1.200     1.200 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      3.572 ppm2      3.161 CV     1
 ASSI { 1103}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
      4.200     2.200     1.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      3.571 ppm2      1.986 CV     1
 OR { 1103}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
 OR { 1103}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI { 1105}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.76299E-03 ppm1      3.574 ppm2      1.636 CV     1
 ASSI { 1106}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 79   and name HG  ))
      3.600     1.600     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.71120E-03 ppm1      3.567 ppm2      1.254 CV     1
 ASSI { 1107}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 79   and name HB3 ))
      4.100     2.100     1.900 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      3.569 ppm2      1.044 CV     1
 ASSI { 1110}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "A   " and resid 76   and name HB3 ))
      2.200     0.600     0.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      3.163 ppm2      2.556 CV     1
 ASSI { 1112}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name H   ))
      2.700     0.900     0.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.16970E-02 ppm1      3.559 ppm2      8.338 CV     1
 ASSI { 1116}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "A   " and resid 80   and name HB2 ))
      4.800     2.900     1.200 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.73700E-03 ppm1      3.564 ppm2      4.280 CV     1
 ASSI { 1117}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 12   and name HA  ))
      4.700     2.800     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.71575E-03 ppm1      3.563 ppm2      4.051 CV     1
 ASSI { 1119}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.900     1.000     1.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      3.561 ppm2      3.117 CV     1
 ASSI { 1121}
   (( segid "B   " and resid 76   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      3.900     1.900     1.900 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.12468E-02 ppm1      3.558 ppm2      2.021 CV     1
 ASSI { 1122}
   (( segid "B   " and resid 76   and name HB2 ))
   (( segid "B   " and resid 76   and name HB3 ))
      1.900     0.500     0.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.18260E-02 ppm1      3.102 ppm2      2.592 CV     1
 ASSI { 1124}
   (( segid "B   " and resid 76   and name HB3 ))
   (( segid "B   " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.11757E-02 ppm1      2.597 ppm2      3.565 CV     1
 ASSI { 1129}
   (( segid "B   " and resid 76   and name HB2 ))
   (  segid "C   " and resid 1910  and name HE% )
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.17039E-02 ppm1      3.107 ppm2      2.022 CV     1
 ASSI { 1130}
   (( segid "B   " and resid 76   and name HB3 ))
   (  segid "C   " and resid 1910  and name HE% )
      2.600     0.800     0.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      2.595 ppm2      2.015 CV     1
 ASSI { 1131}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HD13))
      3.000     1.100     1.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.12576E-02 ppm1      3.559 ppm2      0.470 CV     1
 OR { 1131}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 1131}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 1131}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HD23))
 ASSI { 1132}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 62   and name HD11))
      4.500     2.500     1.500 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.97998E-03 ppm1      3.560 ppm2      0.566 CV     1
 OR { 1132}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1132}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 62   and name HD12))
 ASSI { 1133}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HB2 ))
      2.600     0.900     0.900 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      3.561 ppm2      1.426 CV     1
 ASSI { 1134}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HG  ))
      4.200     2.200     1.800 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.65722E-03 ppm1      3.562 ppm2      1.224 CV     1
 ASSI { 1135}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HB3 ))
      4.200     2.200     1.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      3.560 ppm2      0.999 CV     1
 ASSI { 1137}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name H   ))
      3.000     1.100     1.100 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.11465E-02 ppm1      4.394 ppm2      8.917 CV     1
 ASSI { 1138}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 76   and name H   ))
      3.600     1.700     1.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.67888E-03 ppm1      4.390 ppm2      8.457 CV     1
 ASSI { 1139}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 78   and name H   ))
      3.400     1.500     1.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      4.389 ppm2      8.239 CV     1
 ASSI { 1140}
   (( segid "A   " and resid 75   and name HA  ))
   (  segid "A   " and resid 78   and name HD% )
      3.500     1.500     1.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.83105E-03 ppm1      4.389 ppm2      7.112 CV     1
 ASSI { 1141}
   (( segid "A   " and resid 75   and name HA  ))
   (  segid "A   " and resid 75   and name HD% )
      3.300     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.92016E-03 ppm1      4.385 ppm2      6.923 CV     1
 ASSI { 1143}
   (( segid "A   " and resid 75   and name HB3 ))
   (  segid "A   " and resid 75   and name HD% )
      3.400     1.400     1.400 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.92816E-03 ppm1      3.019 ppm2      6.914 CV     1
 ASSI { 1145}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 78   and name HB2 ))
      3.500     1.600     1.600 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.96868E-03 ppm1      4.384 ppm2      3.830 CV     1
 ASSI { 1146}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 78   and name HB3 ))
      2.600     0.800     0.800 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.83018E-03 ppm1      4.389 ppm2      3.453 CV     1
 ASSI { 1147}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HB3 ))
      3.200     1.300     1.300 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.99471E-03 ppm1      4.387 ppm2      3.027 CV     1
 ASSI { 1148}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.63013E-03 ppm1      4.385 ppm2      3.274 CV     1
 ASSI { 1149}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 70   and name HG11))
      2.900     1.000     1.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.15303E-02 ppm1      4.384 ppm2      1.186 CV     1
 OR { 1149}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1149}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 70   and name HG13))
 ASSI { 1150}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 62   and name HD12))
      5.100     3.200     0.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.71401E-03 ppm1      4.387 ppm2      0.925 CV     1
 OR { 1150}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 62   and name HD13))
 OR { 1150}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 62   and name HD11))
 ASSI { 1152}
   (( segid "B   " and resid 75   and name HA  ))
   (( segid "B   " and resid 75   and name HB3 ))
      3.300     1.400     1.400 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      4.303 ppm2      2.998 CV     1
 ASSI { 1153}
   (( segid "B   " and resid 75   and name HA  ))
   (( segid "B   " and resid 75   and name HB2 ))
      2.800     1.000     1.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      4.312 ppm2      3.304 CV     1
 ASSI { 1154}
   (( segid "B   " and resid 75   and name HA  ))
   (( segid "B   " and resid 75   and name H   ))
      3.000     1.100     1.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.13292E-02 ppm1      4.310 ppm2      8.755 CV     1
 ASSI { 1155}
   (( segid "B   " and resid 75   and name HA  ))
   (( segid "B   " and resid 78   and name H   ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.13389E-02 ppm1      4.316 ppm2      7.685 CV     1
 ASSI { 1156}
   (( segid "B   " and resid 75   and name HA  ))
   (  segid "B   " and resid 78   and name HD% )
      3.800     1.800     1.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.88632E-03 ppm1      4.303 ppm2      7.004 CV     1
 ASSI { 1158}
   (( segid "B   " and resid 75   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
      3.700     1.700     1.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.73916E-03 ppm1      4.310 ppm2      6.901 CV     1
 ASSI { 1160}
   (( segid "B   " and resid 75   and name HB2 ))
   (  segid "B   " and resid 75   and name HD% )
      3.200     1.300     1.300 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.65202E-03 ppm1      3.305 ppm2      6.923 CV     1
 ASSI { 1161}
   (( segid "B   " and resid 75   and name HB3 ))
   (( segid "B   " and resid 75   and name H   ))
      2.800     1.000     1.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      2.993 ppm2      8.751 CV     1
 ASSI { 1162}
   (( segid "B   " and resid 75   and name HB3 ))
   (  segid "B   " and resid 75   and name HD% )
      3.300     1.400     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.69060E-03 ppm1      2.993 ppm2      6.906 CV     1
 ASSI { 1169}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HG2 ))
      3.400     1.400     1.400 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1      4.317 ppm2      2.609 CV     1
 ASSI { 1170}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HB3 ))
      3.000     1.100     1.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.72202E-03 ppm1      4.319 ppm2      2.138 CV     1
 OR { 1170}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HB2 ))
 ASSI { 1171}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HG3 ))
      4.300     2.300     1.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.83886E-03 ppm1      4.319 ppm2      2.934 CV     1
 ASSI { 1181}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 75   and name H   ))
      4.600     2.600     1.400 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.49182E-03 ppm1      2.130 ppm2      8.905 CV     1
 ASSI { 1184}
   (( segid "A   " and resid 74   and name HG2 ))
   (( segid "A   " and resid 75   and name H   ))
      3.600     1.600     1.600 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.92058E-03 ppm1      2.610 ppm2      8.905 CV     1
 ASSI { 1185}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 74   and name H   ))
      4.600     2.600     1.400 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.61538E-03 ppm1      2.929 ppm2      8.806 CV     1
 ASSI { 1186}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 75   and name H   ))
      5.000     3.100     1.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.73177E-03 ppm1      2.929 ppm2      8.898 CV     1
 ASSI { 1189}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 77   and name HG11))
      4.200     2.200     1.800 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.11950E-02 ppm1      4.315 ppm2      0.957 CV     1
 OR { 1189}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 77   and name HG12))
 OR { 1189}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 77   and name HG13))
 ASSI { 1191}
   (( segid "A   " and resid 74   and name HG2 ))
   (( segid "A   " and resid 70   and name HG13))
      3.800     1.800     1.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.87312E-03 ppm1      2.614 ppm2      1.188 CV     1
 OR { 1191}
   (( segid "A   " and resid 74   and name HG2 ))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1191}
   (( segid "A   " and resid 74   and name HG2 ))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1191}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1191}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1191}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 70   and name HG12))
 ASSI { 1195}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "C   " and resid 1911  and name HD21))
      3.400     1.400     1.400 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.47038E-03 ppm1      4.318 ppm2      7.827 CV     1
 ASSI { 1197}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 75   and name H   ))
      3.500     1.500     1.500 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.61951E-03 ppm1      4.008 ppm2      8.757 CV     1
 ASSI { 1209}
   (( segid "B   " and resid 73   and name HG2 ))
   (  segid "C   " and resid 1910  and name HE% )
      2.700     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.19495E-02 ppm1      2.416 ppm2      2.010 CV     1
 OR { 1209}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI { 1213}
   (( segid "B   " and resid 73   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      3.200     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.16446E-02 ppm1      3.949 ppm2      2.019 CV     1
 ASSI { 1217}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 76   and name HB3 ))
      4.300     2.400     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.80874E-03 ppm1      3.952 ppm2      2.582 CV     1
 ASSI { 1219}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 72   and name H   ))
      3.000     1.200     1.200 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      3.247 ppm2      8.947 CV     1
 ASSI { 1221}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 73   and name H   ))
      3.800     1.800     1.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.47990E-03 ppm1      3.248 ppm2      8.262 CV     1
 ASSI { 1223}
   (( segid "A   " and resid 72   and name HB2 ))
   (( segid "A   " and resid 73   and name H   ))
      4.300     2.400     1.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.78662E-03 ppm1      2.757 ppm2      8.261 CV     1
 ASSI { 1225}
   (( segid "A   " and resid 72   and name HA  ))
   (  segid "A   " and resid 75   and name HD% )
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.99144E-03 ppm1      3.248 ppm2      6.930 CV     1
 ASSI { 1226}
   (( segid "A   " and resid 72   and name HA  ))
   (  segid "A   " and resid 72   and name HD% )
      3.100     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      3.254 ppm2      6.168 CV     1
 ASSI { 1227}
   (( segid "A   " and resid 72   and name HB3 ))
   (  segid "A   " and resid 72   and name HD% )
      3.300     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      2.518 ppm2      6.176 CV     1
 ASSI { 1228}
   (( segid "A   " and resid 72   and name HB2 ))
   (  segid "A   " and resid 72   and name HD% )
      3.300     1.300     1.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.94421E-03 ppm1      2.760 ppm2      6.176 CV     1
 ASSI { 1230}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 72   and name HB3 ))
      3.400     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.12206E-02 ppm1      3.245 ppm2      2.522 CV     1
 ASSI { 1231}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.10300E-02 ppm1      3.237 ppm2      2.763 CV     1
 ASSI { 1232}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 75   and name HB3 ))
      3.400     1.500     1.500 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.61776E-03 ppm1      3.247 ppm2      3.034 CV     1
 ASSI { 1234}
   (( segid "A   " and resid 72   and name HB2 ))
   (( segid "A   " and resid 72   and name HB3 ))
      2.400     0.700     0.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      2.767 ppm2      2.501 CV     1
 ASSI { 1238}
   (( segid "B   " and resid 72   and name HA  ))
   (  segid "B   " and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.93988E-03 ppm1      3.205 ppm2      6.217 CV     1
 ASSI { 1239}
   (( segid "B   " and resid 72   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
      4.200     2.200     1.800 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.90498E-03 ppm1      3.207 ppm2      6.895 CV     1
 ASSI { 1242}
   (( segid "B   " and resid 72   and name HB2 ))
   (( segid "B   " and resid 73   and name H   ))
      4.300     2.400     1.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.86120E-03 ppm1      2.744 ppm2      8.271 CV     1
 ASSI { 1245}
   (( segid "B   " and resid 72   and name HB2 ))
   (  segid "B   " and resid 72   and name HD% )
      3.100     1.200     1.200 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      2.741 ppm2      6.217 CV     1
 ASSI { 1246}
   (( segid "B   " and resid 72   and name HB3 ))
   (  segid "B   " and resid 72   and name HD% )
      3.500     1.600     1.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.86185E-03 ppm1      2.475 ppm2      6.212 CV     1
 ASSI { 1249}
   (( segid "B   " and resid 72   and name HA  ))
   (( segid "B   " and resid 75   and name HB3 ))
      3.100     1.200     1.200 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.48923E-03 ppm1      3.203 ppm2      2.984 CV     1
 ASSI { 1250}
   (( segid "B   " and resid 72   and name HA  ))
   (( segid "B   " and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.82737E-03 ppm1      3.201 ppm2      2.736 CV     1
 ASSI { 1251}
   (( segid "B   " and resid 72   and name HA  ))
   (( segid "B   " and resid 72   and name HB3 ))
      3.600     1.600     1.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.73567E-03 ppm1      3.201 ppm2      2.468 CV     1
 ASSI { 1252}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 71   and name HB3 ))
      3.100     1.200     1.200 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      5.171 ppm2      2.754 CV     1
 ASSI { 1253}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.14081E-02 ppm1      5.171 ppm2      3.578 CV     1
 ASSI { 1254}
   (( segid "A   " and resid 71   and name HB2 ))
   (( segid "A   " and resid 71   and name HB3 ))
      2.600     0.800     0.800 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      3.578 ppm2      2.755 CV     1
 ASSI { 1261}
   (( segid "A   " and resid 71   and name HA  ))
   (  segid "A   " and resid 27   and name HD% )
      3.500     1.500     1.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.86553E-03 ppm1      5.162 ppm2      7.473 CV     1
 ASSI { 1262}
   (( segid "A   " and resid 71   and name HB3 ))
   (( segid "A   " and resid 72   and name H   ))
      3.300     1.400     1.400 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.85881E-03 ppm1      2.748 ppm2      8.965 CV     1
 ASSI { 1263}
   (( segid "B   " and resid 71   and name HB3 ))
   (( segid "B   " and resid 72   and name H   ))
      3.300     1.300     1.300 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.84732E-03 ppm1      2.733 ppm2      8.971 CV     1
 ASSI { 1264}
   (( segid "B   " and resid 71   and name HB2 ))
   (( segid "B   " and resid 72   and name H   ))
      3.800     1.800     1.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.11167E-02 ppm1      3.590 ppm2      8.965 CV     1
 ASSI { 1265}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 72   and name H   ))
      3.000     1.100     1.100 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.15533E-02 ppm1      5.193 ppm2      8.971 CV     1
 ASSI { 1266}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 29   and name H   ))
      4.100     2.100     1.900 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.54709E-03 ppm1      5.184 ppm2      9.663 CV     1
 ASSI { 1267}
   (( segid "B   " and resid 71   and name HA  ))
   (  segid "B   " and resid 27   and name HD% )
      2.500     2.500     3.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      5.196 ppm2      7.484 CV     1
 ASSI { 1268}
   (( segid "B   " and resid 71   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
      4.400     2.400     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.68734E-03 ppm1      5.193 ppm2      6.901 CV     1
 ASSI { 1271}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.16704E-02 ppm1      5.196 ppm2      3.582 CV     1
 ASSI { 1272}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 71   and name HB3 ))
      3.200     1.300     1.300 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.12904E-02 ppm1      5.202 ppm2      2.732 CV     1
 ASSI { 1273}
   (( segid "B   " and resid 71   and name HB2 ))
   (( segid "B   " and resid 71   and name HB3 ))
      2.600     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.13053E-02 ppm1      3.593 ppm2      2.732 CV     1
 ASSI { 1275}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 28   and name HD2 ))
      3.300     1.400     1.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.81067E-03 ppm1      5.187 ppm2      1.719 CV     1
 ASSI { 1276}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 28   and name HD3 ))
      3.500     1.500     1.500 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.63510E-03 ppm1      5.193 ppm2      1.518 CV     1
 ASSI { 1277}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 28   and name HG3 ))
      2.900     2.900     3.100 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.57918E-03 ppm1      5.190 ppm2      1.342 CV     1
 ASSI { 1278}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 70   and name HG11))
      4.200     2.200     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.54841E-03 ppm1      5.190 ppm2      1.203 CV     1
 OR { 1278}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1278}
   (( segid "B   " and resid 71   and name HA  ))
   (( segid "B   " and resid 70   and name HG13))
 ASSI { 1282}
   (( segid "A   " and resid 70   and name HB  ))
   (( segid "A   " and resid 70   and name HA  ))
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.61818E-03 ppm1      2.250 ppm2      5.284 CV     1
 ASSI { 1283}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 70   and name H   ))
      3.700     1.700     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.20542E-02 ppm1      1.201 ppm2     10.036 CV     1
 OR { 1283}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 70   and name H   ))
 OR { 1283}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 70   and name H   ))
 ASSI { 1284}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 70   and name H   ))
      3.600     1.600     1.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      1.183 ppm2      9.993 CV     1
 OR { 1284}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 70   and name H   ))
 OR { 1284}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 70   and name H   ))
 ASSI { 1285}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 29   and name H   ))
      3.600     1.600     1.600 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.15657E-02 ppm1      1.188 ppm2      9.666 CV     1
 OR { 1285}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1285}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 29   and name H   ))
 ASSI { 1286}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 71   and name H   ))
      3.000     1.100     1.100 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.37868E-02 ppm1      1.184 ppm2      9.121 CV     1
 OR { 1286}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 71   and name H   ))
 OR { 1286}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 71   and name H   ))
 ASSI { 1287}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 75   and name H   ))
      2.600     0.800     0.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.49530E-02 ppm1      1.185 ppm2      8.916 CV     1
 OR { 1287}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 75   and name H   ))
 OR { 1287}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 75   and name H   ))
 ASSI { 1288}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 74   and name H   ))
      3.600     1.600     1.600 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.19610E-02 ppm1      1.188 ppm2      8.800 CV     1
 OR { 1288}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 74   and name H   ))
 OR { 1288}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 74   and name H   ))
 ASSI { 1289}
   (( segid "B   " and resid 70   and name HG13))
   (  segid "B   " and resid 78   and name HE% )
      3.200     3.200     2.800 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.34856E-02 ppm1      1.185 ppm2      6.916 CV     1
 OR { 1289}
   (( segid "B   " and resid 70   and name HG11))
   (  segid "B   " and resid 78   and name HE% )
 OR { 1289}
   (( segid "B   " and resid 70   and name HG12))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 1290}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 70   and name H   ))
      2.500     0.800     0.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.48100E-02 ppm1      0.874 ppm2      9.992 CV     1
 OR { 1290}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name H   ))
 OR { 1290}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name H   ))
 ASSI { 1291}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 29   and name H   ))
      3.900     1.900     1.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      0.873 ppm2      9.668 CV     1
 OR { 1291}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1291}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 29   and name H   ))
 ASSI { 1292}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 71   and name H   ))
      3.700     1.700     1.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      0.874 ppm2      9.121 CV     1
 OR { 1292}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 71   and name H   ))
 OR { 1292}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 71   and name H   ))
 ASSI { 1293}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 63   and name H   ))
      3.400     1.400     1.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      0.874 ppm2      7.865 CV     1
 OR { 1293}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 63   and name H   ))
 OR { 1293}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 63   and name H   ))
 ASSI { 1294}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name H   ))
      2.500     2.500     3.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.13378E-02 ppm1      0.876 ppm2      7.714 CV     1
 OR { 1294}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name H   ))
 OR { 1294}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name H   ))
 ASSI { 1296}
   (( segid "A   " and resid 70   and name HG23))
   (  segid "A   " and resid 75   and name HD% )
      4.400     2.400     1.600 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.65980E-03 ppm1      0.868 ppm2      6.925 CV     1
 OR { 1296}
   (( segid "A   " and resid 70   and name HG22))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1296}
   (( segid "A   " and resid 70   and name HG21))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 1297}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.66913E-02 ppm1      0.875 ppm2      5.288 CV     1
 OR { 1297}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 70   and name HA  ))
 OR { 1297}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name HA  ))
 ASSI { 1298}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 69   and name HA  ))
      3.600     1.600     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.18810E-02 ppm1      0.874 ppm2      4.812 CV     1
 OR { 1298}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 69   and name HA  ))
 OR { 1298}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 69   and name HA  ))
 ASSI { 1300}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.22001E-02 ppm1      0.875 ppm2      3.870 CV     1
 OR { 1300}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 59   and name HA  ))
 OR { 1300}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 59   and name HA  ))
 ASSI { 1301}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 75   and name HB3 ))
      4.500     2.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.67000E-03 ppm1      0.874 ppm2      3.027 CV     1
 OR { 1301}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 1301}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 75   and name HB3 ))
 ASSI { 1302}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 74   and name HG3 ))
      3.700     1.700     1.700 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      0.875 ppm2      2.930 CV     1
 OR { 1302}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 74   and name HG3 ))
 OR { 1302}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 74   and name HG3 ))
 ASSI { 1303}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 75   and name HB3 ))
      3.500     1.500     1.500 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.31733E-02 ppm1      1.188 ppm2      3.030 CV     1
 OR { 1303}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 1303}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 75   and name HB3 ))
 ASSI { 1304}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      1.186 ppm2      3.266 CV     1
 OR { 1304}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 75   and name HB2 ))
 OR { 1304}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 75   and name HB2 ))
 ASSI { 1305}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 74   and name HG2 ))
      2.600     0.800     0.800 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.63316E-02 ppm1      1.194 ppm2      2.602 CV     1
 OR { 1305}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 74   and name HG2 ))
 OR { 1305}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 74   and name HG2 ))
 ASSI { 1306}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 74   and name HG2 ))
      4.300     2.300     1.700 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      0.870 ppm2      2.598 CV     1
 OR { 1306}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 74   and name HG2 ))
 OR { 1306}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 74   and name HG2 ))
 ASSI { 1308}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 59   and name HG3 ))
      3.000     1.100     1.100 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.25101E-02 ppm1      0.875 ppm2      2.434 CV     1
 OR { 1308}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 59   and name HG3 ))
 OR { 1308}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 59   and name HG3 ))
 ASSI { 1309}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 70   and name HB  ))
      2.200     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.77167E-02 ppm1      0.874 ppm2      2.238 CV     1
 OR { 1309}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name HB  ))
 OR { 1309}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name HB  ))
 ASSI { 1311}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.28829E-02 ppm1      0.875 ppm2      1.791 CV     1
 OR { 1311}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HB2 ))
 OR { 1311}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI { 1314}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 62   and name HD23))
      2.700     0.900     0.900 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.45020E-02 ppm1      1.185 ppm2      0.289 CV     1
 OR { 1314}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 62   and name HD21))
 OR { 1314}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 62   and name HD21))
 ASSI { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD13))
      2.600     0.900     0.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.11243E-01 ppm1      1.184 ppm2      0.770 CV     1
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD22))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD22))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 34   and name HD22))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD23))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD23))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 34   and name HD23))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 34   and name HD21))
 OR { 1315}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 34   and name HD21))
 ASSI { 1316}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HD22))
      2.400     0.700     0.700 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.73048E-02 ppm1      0.874 ppm2      0.288 CV     1
 OR { 1316}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HD21))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1316}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HD21))
 ASSI { 1318}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 34   and name HD13))
      2.200     0.600     0.600 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.13645E-01 ppm1      0.874 ppm2      0.782 CV     1
 OR { 1318}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1318}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 34   and name HD12))
 ASSI { 1319}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HB3 ))
      2.400     0.700     0.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      0.874 ppm2      1.264 CV     1
 OR { 1319}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HB3 ))
 OR { 1319}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1320}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name HG11))
      2.100     0.500     0.500 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.18396E-01 ppm1      0.874 ppm2      1.185 CV     1
 OR { 1320}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1320}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 70   and name HG12))
 ASSI { 1321}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 58   and name HG  ))
      3.500     1.500     1.500 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      0.874 ppm2      1.385 CV     1
 OR { 1321}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 1321}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 1322}
   (( segid "A   " and resid 70   and name HG11))
   (( segid "A   " and resid 62   and name HB2 ))
      4.100     2.100     1.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      1.188 ppm2      1.786 CV     1
 OR { 1322}
   (( segid "A   " and resid 70   and name HG13))
   (( segid "A   " and resid 62   and name HB2 ))
 OR { 1322}
   (( segid "A   " and resid 70   and name HG12))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI { 1323}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 75   and name H   ))
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      0.868 ppm2      8.922 CV     1
 OR { 1323}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 75   and name H   ))
 OR { 1323}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 75   and name H   ))
 ASSI { 1324}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 71   and name H   ))
      3.000     1.100     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.38366E-02 ppm1      1.201 ppm2      9.364 CV     1
 OR { 1324}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 71   and name H   ))
 OR { 1324}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 71   and name H   ))
 ASSI { 1325}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 29   and name H   ))
      3.600     1.700     1.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.12429E-02 ppm1      1.197 ppm2      9.670 CV     1
 OR { 1325}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 29   and name H   ))
 OR { 1325}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 29   and name H   ))
 ASSI { 1326}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 74   and name H   ))
      3.500     1.600     1.600 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.27897E-02 ppm1      1.200 ppm2      8.902 CV     1
 OR { 1326}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 74   and name H   ))
 OR { 1326}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 74   and name H   ))
 ASSI { 1327}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 75   and name H   ))
      2.900     1.100     1.100 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.38301E-02 ppm1      1.201 ppm2      8.754 CV     1
 OR { 1327}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 75   and name H   ))
 OR { 1327}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 75   and name H   ))
 ASSI { 1329}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name H   ))
      3.100     1.200     1.200 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.98951E-03 ppm1      5.304 ppm2     10.024 CV     1
 ASSI { 1330}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name H   ))
      2.800     1.000     1.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.45843E-02 ppm1      0.915 ppm2     10.036 CV     1
 OR { 1330}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 70   and name H   ))
 OR { 1330}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name H   ))
 ASSI { 1332}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 29   and name H   ))
      4.100     2.100     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      0.911 ppm2      9.666 CV     1
 OR { 1332}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 29   and name H   ))
 ASSI { 1333}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 71   and name H   ))
      3.500     1.600     1.600 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.26553E-02 ppm1      0.915 ppm2      9.363 CV     1
 OR { 1333}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 71   and name H   ))
 ASSI { 1334}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 74   and name H   ))
      3.800     1.800     1.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.72486E-03 ppm1      0.915 ppm2      8.917 CV     1
 OR { 1334}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 74   and name H   ))
 ASSI { 1337}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 64   and name H   ))
      4.400     2.400     1.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.51913E-03 ppm1      0.911 ppm2      8.305 CV     1
 OR { 1337}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 64   and name H   ))
 ASSI { 1338}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name H   ))
      3.700     1.700     1.700 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.13144E-02 ppm1      0.915 ppm2      8.003 CV     1
 OR { 1338}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name H   ))
 OR { 1338}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 1339}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 69   and name H   ))
      2.900     2.900     3.100 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.56966E-03 ppm1      0.915 ppm2      7.819 CV     1
 OR { 1339}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 69   and name H   ))
 OR { 1339}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 69   and name H   ))
 ASSI { 1340}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 63   and name H   ))
      3.600     1.600     1.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      0.916 ppm2      7.761 CV     1
 OR { 1340}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 63   and name H   ))
 OR { 1340}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 63   and name H   ))
 ASSI { 1341}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 75   and name H   ))
      4.200     2.200     1.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.56575E-03 ppm1      0.916 ppm2      8.749 CV     1
 OR { 1341}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 75   and name H   ))
 ASSI { 1342}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.68779E-02 ppm1      0.915 ppm2      5.302 CV     1
 OR { 1342}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name HA  ))
 OR { 1342}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 70   and name HA  ))
 ASSI { 1343}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 69   and name HA  ))
      3.700     1.700     1.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.14872E-02 ppm1      0.915 ppm2      4.866 CV     1
 OR { 1343}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 69   and name HA  ))
 OR { 1343}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 69   and name HA  ))
 ASSI { 1344}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.12984E-02 ppm1      0.917 ppm2      4.791 CV     1
 OR { 1344}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 63   and name HA  ))
 ASSI { 1346}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      0.915 ppm2      3.922 CV     1
 OR { 1346}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 59   and name HA  ))
 OR { 1346}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 59   and name HA  ))
 ASSI { 1347}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      0.916 ppm2      4.279 CV     1
 OR { 1347}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HA  ))
 ASSI { 1349}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 74   and name HG3 ))
      3.200     1.300     1.300 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      0.916 ppm2      2.602 CV     1
 OR { 1349}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 74   and name HG3 ))
 ASSI { 1350}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 63   and name HB3 ))
      3.300     1.300     1.300 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.19287E-02 ppm1      0.914 ppm2      2.427 CV     1
 OR { 1350}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 63   and name HB3 ))
 ASSI { 1351}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      1.197 ppm2      3.302 CV     1
 OR { 1351}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 75   and name HB2 ))
 OR { 1351}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 75   and name HB2 ))
 ASSI { 1352}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 75   and name HB3 ))
      3.600     1.600     1.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.32428E-02 ppm1      1.199 ppm2      3.000 CV     1
 OR { 1352}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 75   and name HB3 ))
 OR { 1352}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 75   and name HB3 ))
 ASSI { 1354}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.15897E-02 ppm1      1.200 ppm2      4.011 CV     1
 OR { 1354}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1354}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 74   and name HA  ))
 ASSI { 1355}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.32364E-02 ppm1      1.198 ppm2      4.308 CV     1
 OR { 1355}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1355}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI { 1356}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 74   and name HG3 ))
      3.900     1.900     1.900 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      5.299 ppm2      2.602 CV     1
 ASSI { 1357}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HB  ))
      3.100     1.200     1.200 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.11436E-02 ppm1      5.299 ppm2      2.246 CV     1
 ASSI { 1358}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      5.300 ppm2      2.130 CV     1
 ASSI { 1359}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HG12))
      2.700     0.900     0.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.38973E-02 ppm1      5.299 ppm2      1.191 CV     1
 OR { 1359}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HG11))
 OR { 1359}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HG13))
 ASSI { 1361}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 70   and name HB  ))
      2.100     0.600     0.600 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.73525E-02 ppm1      0.915 ppm2      2.252 CV     1
 OR { 1361}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name HB  ))
 OR { 1361}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name HB  ))
 ASSI { 1363}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 59   and name HE1 ))
      2.100     0.500     0.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.10931E-01 ppm1      0.915 ppm2      1.969 CV     1
 OR { 1363}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1363}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1363}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 1363}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 1363}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 1363}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 59   and name HE3 ))
 ASSI { 1364}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HG  ))
      3.400     1.500     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.10751E-02 ppm1      0.916 ppm2      1.811 CV     1
 OR { 1364}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name HG  ))
 OR { 1364}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HG  ))
 ASSI { 1365}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.41617E-02 ppm1      0.915 ppm2      1.676 CV     1
 OR { 1365}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HB2 ))
 OR { 1365}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI { 1366}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.12917E-02 ppm1      1.197 ppm2      1.681 CV     1
 OR { 1366}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HB2 ))
 OR { 1366}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI { 1367}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HB3 ))
      3.000     1.100     1.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.36848E-02 ppm1      0.915 ppm2      1.376 CV     1
 OR { 1367}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HB3 ))
 OR { 1367}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1368}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name HG13))
      2.100     0.600     0.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.17425E-01 ppm1      0.915 ppm2      1.199 CV     1
 OR { 1368}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 70   and name HG11))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1368}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 70   and name HG11))
 ASSI { 1369}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD21))
      2.900     1.100     1.100 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.52956E-02 ppm1      0.916 ppm2      0.412 CV     1
 OR { 1369}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1369}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HD23))
 ASSI { 1370}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD11))
      3.600     1.600     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.23432E-02 ppm1      0.916 ppm2      0.556 CV     1
 OR { 1370}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1370}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1370}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 62   and name HD12))
 OR { 1370}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 62   and name HD13))
 ASSI { 1371}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD22))
      3.600     1.600     1.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.25187E-02 ppm1      1.201 ppm2      0.412 CV     1
 OR { 1371}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1371}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD23))
 ASSI { 1372}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD11))
      3.800     1.800     1.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.16938E-02 ppm1      1.200 ppm2      0.556 CV     1
 OR { 1372}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 62   and name HD12))
 OR { 1372}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 62   and name HD12))
 ASSI { 1373}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 29   and name HD11))
      3.400     3.400     2.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      0.914 ppm2      0.726 CV     1
 OR { 1373}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 29   and name HD13))
 OR { 1373}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 29   and name HD13))
 OR { 1373}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1373}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 29   and name HD12))
 ASSI { 1374}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 29   and name HD13))
      2.800     2.800     3.200 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.66481E-02 ppm1      1.200 ppm2      0.734 CV     1
 OR { 1374}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1374}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1374}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 29   and name HD13))
 OR { 1374}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 29   and name HD13))
 OR { 1374}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1374}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 29   and name HD12))
 ASSI { 1375}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 70   and name HG21))
      2.100     0.500     0.500 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.17844E-01 ppm1      1.200 ppm2      0.909 CV     1
 OR { 1375}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1375}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 70   and name HG23))
 ASSI { 1376}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 70   and name HG11))
      2.500     0.800     0.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      2.247 ppm2      1.194 CV     1
 OR { 1376}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1376}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 70   and name HG12))
 ASSI { 1378}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 29   and name HD13))
      3.700     1.700     1.700 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.10745E-02 ppm1      2.249 ppm2      0.745 CV     1
 OR { 1378}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1378}
   (( segid "B   " and resid 70   and name HB  ))
   (( segid "B   " and resid 29   and name HD12))
 ASSI { 1381}
   (( segid "A   " and resid 69   and name HA  ))
   (( segid "A   " and resid 70   and name H   ))
      2.400     0.700     0.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.25881E-02 ppm1      4.835 ppm2      9.996 CV     1
 ASSI { 1384}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 69   and name HA  ))
      3.700     1.700     1.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.77535E-03 ppm1      1.476 ppm2      4.826 CV     1
 ASSI { 1385}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 69   and name HB3 ))
      2.100     0.600     0.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.29978E-02 ppm1      1.476 ppm2      2.152 CV     1
 ASSI { 1386}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 28   and name HD2 ))
      3.600     1.600     1.600 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.94789E-03 ppm1      1.471 ppm2      1.714 CV     1
 OR { 1386}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 28   and name HB2 ))
 OR { 1386}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI { 1389}
   (( segid "A   " and resid 69   and name HG3 ))
   (( segid "A   " and resid 69   and name H   ))
      3.400     1.400     1.400 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.92058E-03 ppm1      2.182 ppm2      7.828 CV     1
 ASSI { 1390}
   (( segid "B   " and resid 69   and name HA  ))
   (( segid "B   " and resid 70   and name H   ))
      2.400     0.700     0.700 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.27767E-02 ppm1      4.871 ppm2     10.033 CV     1
 ASSI { 1392}
   (( segid "A   " and resid 68   and name HA  ))
   (( segid "A   " and resid 68   and name H   ))
      2.300     0.600     0.600 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.62406E-02 ppm1      4.131 ppm2     10.398 CV     1
 ASSI { 1396}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.73742E-02 ppm1      3.201 ppm2      4.144 CV     1
 ASSI { 1397}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 68   and name HA  ))
      2.100     0.600     0.600 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.99668E-02 ppm1      3.125 ppm2      4.144 CV     1
 ASSI { 1399}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 69   and name HG2 ))
      4.000     2.000     2.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.10344E-02 ppm1      3.199 ppm2      2.155 CV     1
 OR { 1399}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 69   and name HB3 ))
 ASSI { 1400}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 69   and name HG3 ))
      3.700     1.700     1.700 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.13959E-02 ppm1      3.126 ppm2      2.168 CV     1
 OR { 1400}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 69   and name HB3 ))
 ASSI { 1401}
   (( segid "A   " and resid 68   and name HA  ))
   (( segid "A   " and resid 69   and name HG3 ))
      3.600     1.600     1.600 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      4.143 ppm2      2.182 CV     1
 ASSI { 1407}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 68   and name HD22))
      3.600     1.700     1.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.33055E-02 ppm1      3.202 ppm2      6.839 CV     1
 ASSI { 1408}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 68   and name HD22))
      3.400     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.38172E-02 ppm1      3.125 ppm2      6.838 CV     1
 ASSI { 1409}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 68   and name HD21))
      2.900     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.35679E-02 ppm1      3.198 ppm2      7.498 CV     1
 ASSI { 1410}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 68   and name HD21))
      2.400     0.700     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.47125E-02 ppm1      3.125 ppm2      7.505 CV     1
 ASSI { 1411}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 69   and name H   ))
      3.600     1.600     1.600 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      3.198 ppm2      7.847 CV     1
 ASSI { 1412}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 69   and name H   ))
      3.800     1.800     1.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.15069E-02 ppm1      3.123 ppm2      7.847 CV     1
 ASSI { 1413}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 68   and name H   ))
      3.300     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.18715E-02 ppm1      3.195 ppm2     10.399 CV     1
 ASSI { 1414}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 68   and name H   ))
      3.800     1.800     1.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.18975E-02 ppm1      3.123 ppm2     10.393 CV     1
 ASSI { 1416}
   (( segid "B   " and resid 68   and name HA  ))
   (( segid "B   " and resid 67   and name H   ))
      4.200     2.200     1.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      4.155 ppm2      8.736 CV     1
 ASSI { 1417}
   (( segid "A   " and resid 68   and name HA  ))
   (( segid "A   " and resid 67   and name H   ))
      4.400     2.500     1.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.16628E-02 ppm1      4.128 ppm2      8.603 CV     1
 ASSI { 1418}
   (( segid "B   " and resid 68   and name HA  ))
   (( segid "B   " and resid 68   and name H   ))
      2.100     0.500     0.500 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.63988E-02 ppm1      4.154 ppm2     10.285 CV     1
 ASSI { 1419}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 68   and name H   ))
      3.200     1.300     1.300 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.18947E-02 ppm1      3.210 ppm2     10.284 CV     1
 ASSI { 1420}
   (( segid "B   " and resid 68   and name HB3 ))
   (( segid "B   " and resid 68   and name H   ))
      3.500     1.500     1.500 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.23432E-02 ppm1      3.130 ppm2     10.285 CV     1
 ASSI { 1421}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 69   and name H   ))
      3.600     1.600     1.600 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      3.211 ppm2      7.827 CV     1
 ASSI { 1422}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 68   and name HD21))
      3.400     1.400     1.400 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.33771E-02 ppm1      3.214 ppm2      7.517 CV     1
 ASSI { 1423}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 68   and name HD22))
      4.100     2.100     1.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.23995E-02 ppm1      3.216 ppm2      6.844 CV     1
 ASSI { 1424}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.57550E-02 ppm1      3.216 ppm2      4.160 CV     1
 ASSI { 1426}
   (( segid "B   " and resid 68   and name HA  ))
   (( segid "B   " and resid 68   and name HB3 ))
      2.200     0.600     0.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.55752E-02 ppm1      4.157 ppm2      3.126 CV     1
 ASSI { 1427}
   (( segid "B   " and resid 68   and name HB2 ))
   (( segid "B   " and resid 69   and name HG2 ))
      3.300     1.300     1.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.97259E-03 ppm1      3.210 ppm2      2.166 CV     1
 ASSI { 1435}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 68   and name H   ))
      3.400     1.400     1.400 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.13740E-02 ppm1      4.812 ppm2     10.400 CV     1
 ASSI { 1441}
   (( segid "B   " and resid 67   and name HA  ))
   (( segid "B   " and resid 68   and name H   ))
      3.300     1.400     1.400 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.15806E-02 ppm1      4.821 ppm2     10.287 CV     1
 ASSI { 1442}
   (( segid "A   " and resid 66   and name HA  ))
   (( segid "A   " and resid 67   and name H   ))
      2.500     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.24841E-02 ppm1      4.163 ppm2      8.605 CV     1
 ASSI { 1443}
   (( segid "A   " and resid 66   and name HA  ))
   (( segid "A   " and resid 68   and name H   ))
      3.500     1.600     1.600 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12359E-02 ppm1      4.159 ppm2     10.396 CV     1
 ASSI { 1445}
   (( segid "A   " and resid 66   and name HB2 ))
   (( segid "A   " and resid 66   and name H   ))
      3.600     1.600     1.600 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.82846E-03 ppm1      2.046 ppm2      7.786 CV     1
 ASSI { 1446}
   (( segid "A   " and resid 66   and name HG2 ))
   (( segid "A   " and resid 66   and name H   ))
      3.400     1.400     1.400 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.14252E-02 ppm1      1.702 ppm2      7.786 CV     1
 ASSI { 1447}
   (( segid "A   " and resid 66   and name HG3 ))
   (( segid "A   " and resid 66   and name H   ))
      3.900     1.900     1.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1      1.621 ppm2      7.785 CV     1
 ASSI { 1448}
   (( segid "A   " and resid 66   and name HD2 ))
   (( segid "A   " and resid 66   and name H   ))
      3.100     1.200     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.22565E-02 ppm1      3.343 ppm2      7.786 CV     1
 ASSI { 1449}
   (( segid "A   " and resid 66   and name HD3 ))
   (( segid "A   " and resid 66   and name H   ))
      3.400     1.500     1.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.18295E-02 ppm1      3.251 ppm2      7.790 CV     1
 ASSI { 1451}
   (( segid "A   " and resid 66   and name HA  ))
   (( segid "A   " and resid 66   and name HD2 ))
      2.600     0.900     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.17187E-02 ppm1      4.164 ppm2      3.339 CV     1
 ASSI { 1453}
   (( segid "A   " and resid 66   and name HG2 ))
   (( segid "A   " and resid 66   and name HA  ))
      3.400     1.400     1.400 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      1.700 ppm2      4.164 CV     1
 ASSI { 1454}
   (( segid "A   " and resid 66   and name HG2 ))
   (( segid "A   " and resid 66   and name HD2 ))
      3.100     1.200     1.200 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.15429E-02 ppm1      1.705 ppm2      3.343 CV     1
 ASSI { 1456}
   (( segid "A   " and resid 66   and name HD3 ))
   (( segid "A   " and resid 66   and name HA  ))
      3.300     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20382E-02 ppm1      3.250 ppm2      4.156 CV     1
 ASSI { 1459}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 66   and name HG2 ))
      2.600     0.800     0.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.37023E-02 ppm1      4.156 ppm2      1.631 CV     1
 ASSI { 1460}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 66   and name HB3 ))
      2.500     0.800     0.800 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.50961E-02 ppm1      4.159 ppm2      2.046 CV     1
 OR { 1460}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 66   and name HB2 ))
 ASSI { 1462}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 65   and name H   ))
      4.800     2.900     1.200 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      4.152 ppm2      8.181 CV     1
 ASSI { 1464}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 67   and name H   ))
      2.600     0.800     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.25036E-02 ppm1      4.151 ppm2      8.737 CV     1
 ASSI { 1468}
   (( segid "B   " and resid 66   and name HD2 ))
   (( segid "B   " and resid 66   and name H   ))
      3.900     1.900     1.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.14876E-02 ppm1      3.316 ppm2      7.692 CV     1
 ASSI { 1469}
   (( segid "B   " and resid 66   and name HD3 ))
   (( segid "B   " and resid 66   and name H   ))
      3.900     1.900     1.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      3.290 ppm2      7.690 CV     1
 ASSI { 1473}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 68   and name H   ))
      3.600     1.600     1.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.12884E-02 ppm1      4.154 ppm2     10.283 CV     1
 ASSI { 1474}
   (( segid "A   " and resid 65   and name HB2 ))
   (( segid "A   " and resid 65   and name HB3 ))
      2.200     0.600     0.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.36677E-02 ppm1      3.309 ppm2      2.825 CV     1
 ASSI { 1475}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 65   and name HB3 ))
      2.800     1.000     1.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.44284E-02 ppm1      4.855 ppm2      2.822 CV     1
 ASSI { 1482}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 65   and name HD21))
      4.300     2.300     1.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.61886E-03 ppm1      4.854 ppm2      7.851 CV     1
 ASSI { 1483}
   (( segid "A   " and resid 65   and name HB2 ))
   (( segid "A   " and resid 65   and name HD21))
      3.100     1.200     1.200 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.14640E-02 ppm1      3.303 ppm2      7.847 CV     1
 ASSI { 1484}
   (( segid "A   " and resid 65   and name HB3 ))
   (( segid "A   " and resid 65   and name HD21))
      3.500     1.500     1.500 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      2.825 ppm2      7.851 CV     1
 ASSI { 1486}
   (( segid "A   " and resid 65   and name HB3 ))
   (( segid "A   " and resid 65   and name HD22))
      5.100     3.200     0.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.44261E-03 ppm1      2.817 ppm2      6.655 CV     1
 ASSI { 1487}
   (( segid "A   " and resid 65   and name HB2 ))
   (( segid "A   " and resid 65   and name HD22))
      4.500     2.500     1.500 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.87505E-03 ppm1      3.305 ppm2      6.644 CV     1
 ASSI { 1488}
   (( segid "B   " and resid 65   and name HA  ))
   (( segid "B   " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.42573E-02 ppm1      4.880 ppm2      2.902 CV     1
 ASSI { 1489}
   (( segid "B   " and resid 65   and name HB2 ))
   (( segid "B   " and resid 65   and name HB3 ))
      2.200     0.600     0.600 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.35615E-02 ppm1      3.327 ppm2      2.903 CV     1
 ASSI { 1492}
   (( segid "B   " and resid 65   and name HB3 ))
   (( segid "B   " and resid 65   and name HD22))
      4.200     2.200     1.800 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      2.898 ppm2      6.630 CV     1
 ASSI { 1494}
   (( segid "B   " and resid 65   and name HB3 ))
   (( segid "B   " and resid 66   and name H   ))
      4.200     2.200     1.800 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.80460E-03 ppm1      2.888 ppm2      7.697 CV     1
 ASSI { 1495}
   (( segid "B   " and resid 65   and name HB3 ))
   (( segid "B   " and resid 65   and name HD21))
      3.400     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      2.906 ppm2      7.828 CV     1
 ASSI { 1498}
   (( segid "B   " and resid 65   and name HB2 ))
   (( segid "B   " and resid 65   and name HD21))
      3.100     1.200     1.200 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.18316E-02 ppm1      3.319 ppm2      7.838 CV     1
 ASSI { 1500}
   (( segid "B   " and resid 65   and name HA  ))
   (( segid "B   " and resid 65   and name HD21))
      3.400     1.400     1.400 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.14501E-02 ppm1      4.875 ppm2      7.834 CV     1
 ASSI { 1506}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name H   ))
      3.200     1.300     1.300 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.54060E-02 ppm1      4.063 ppm2      8.255 CV     1
 ASSI { 1507}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name H   ))
      2.100     0.600     0.600 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.57095E-02 ppm1      3.995 ppm2      8.255 CV     1
 ASSI { 1508}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 65   and name H   ))
      3.900     1.900     1.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.21112E-02 ppm1      4.064 ppm2      8.020 CV     1
 ASSI { 1509}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 65   and name H   ))
      3.300     1.300     1.300 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.22781E-02 ppm1      3.994 ppm2      8.019 CV     1
 ASSI { 1511}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HD21))
      3.300     3.300     2.700 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.13272E-02 ppm1      3.995 ppm2      7.829 CV     1
 ASSI { 1512}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HD22))
      3.200     3.200     2.800 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.11898E-02 ppm1      3.995 ppm2      7.434 CV     1
 ASSI { 1513}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HD22))
      3.800     3.800     2.200 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.11228E-02 ppm1      4.063 ppm2      7.429 CV     1
 ASSI { 1516}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.68931E-02 ppm1      4.064 ppm2      4.351 CV     1
 ASSI { 1517}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.800     1.000     1.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.19248E-02 ppm1      4.063 ppm2      4.459 CV     1
 ASSI { 1518}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.71963E-02 ppm1      3.995 ppm2      4.351 CV     1
 ASSI { 1519}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.400     1.500     1.500 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.19135E-02 ppm1      3.996 ppm2      4.458 CV     1
 ASSI { 1520}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.400     1.500     1.500 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      4.065 ppm2      3.161 CV     1
 ASSI { 1522}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 65   and name HB3 ))
      3.800     1.800     1.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.64466E-03 ppm1      4.064 ppm2      2.827 CV     1
 ASSI { 1523}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HB3 ))
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.11295E-02 ppm1      4.065 ppm2      2.694 CV     1
 ASSI { 1524}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.300     1.400     1.400 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.13157E-02 ppm1      3.998 ppm2      3.153 CV     1
 ASSI { 1526}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 65   and name HB3 ))
      4.000     2.000     2.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.74956E-03 ppm1      3.998 ppm2      2.827 CV     1
 ASSI { 1527}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HB3 ))
      3.300     1.300     1.300 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.13162E-02 ppm1      3.994 ppm2      2.693 CV     1
 ASSI { 1528}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 74   and name HG2 ))
      4.000     2.000     2.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.92665E-03 ppm1      3.995 ppm2      2.612 CV     1
 ASSI { 1529}
   (( segid "A   " and resid 64   and name HB2 ))
   (  segid "C   " and resid 1907  and name HB% )
      4.500     2.600     1.500 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.43874E-03 ppm1      4.059 ppm2      1.643 CV     1
 ASSI { 1530}
   (( segid "A   " and resid 64   and name HB3 ))
   (  segid "C   " and resid 1907  and name HB% )
      4.400     2.500     1.600 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.52175E-03 ppm1      3.996 ppm2      1.648 CV     1
 ASSI { 1533}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 66   and name H   ))
      3.400     1.400     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      4.322 ppm2      7.688 CV     1
 ASSI { 1534}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 65   and name H   ))
      3.400     1.500     1.500 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.17375E-02 ppm1      4.124 ppm2      8.179 CV     1
 ASSI { 1535}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 64   and name H   ))
      2.500     0.800     0.800 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.40164E-02 ppm1      4.125 ppm2      8.310 CV     1
 ASSI { 1536}
   (( segid "B   " and resid 64   and name HB3 ))
   (( segid "B   " and resid 64   and name H   ))
      3.300     1.300     1.300 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.37975E-02 ppm1      4.025 ppm2      8.309 CV     1
 ASSI { 1537}
   (( segid "B   " and resid 64   and name HB3 ))
   (( segid "B   " and resid 65   and name H   ))
      3.500     1.600     1.600 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.16712E-02 ppm1      4.027 ppm2      8.176 CV     1
 ASSI { 1538}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.71898E-02 ppm1      4.323 ppm2      4.026 CV     1
 ASSI { 1540}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.10847E-01 ppm1      4.126 ppm2      4.324 CV     1
 ASSI { 1541}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 64   and name HB3 ))
      1.600     0.300     0.600 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.27550E-01 ppm1      4.125 ppm2      4.026 CV     1
 ASSI { 1546}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.15047E-02 ppm1      2.933 ppm2      4.779 CV     1
 ASSI { 1547}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.67391E-03 ppm1      2.442 ppm2      4.775 CV     1
 ASSI { 1548}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 63   and name HB2 ))
      2.200     0.600     0.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.28807E-02 ppm1      2.447 ppm2      2.930 CV     1
 ASSI { 1549}
   (( segid "B   " and resid 63   and name HB2 ))
   (( segid "B   " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.66351E-03 ppm1      2.915 ppm2      4.787 CV     1
 ASSI { 1550}
   (( segid "B   " and resid 63   and name HB3 ))
   (( segid "B   " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.83321E-03 ppm1      2.414 ppm2      4.787 CV     1
 ASSI { 1551}
   (( segid "B   " and resid 63   and name HB3 ))
   (( segid "B   " and resid 63   and name HB2 ))
      2.200     0.600     0.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.31127E-02 ppm1      2.414 ppm2      2.916 CV     1
 ASSI { 1556}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name H   ))
      3.100     1.200     1.200 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      4.335 ppm2      7.716 CV     1
 ASSI { 1559}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name H   ))
      4.300     2.300     1.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.70210E-03 ppm1      1.273 ppm2      7.715 CV     1
 ASSI { 1561}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 62   and name HA  ))
      3.500     1.500     1.500 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.75130E-03 ppm1      1.789 ppm2      4.334 CV     1
 ASSI { 1564}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HG  ))
      2.900     1.100     1.100 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.82630E-03 ppm1      4.332 ppm2      2.051 CV     1
 ASSI { 1566}
   (( segid "A   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1907  and name HB% )
      2.900     1.100     1.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      4.332 ppm2      1.645 CV     1
 ASSI { 1567}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HB3 ))
      3.000     1.100     1.100 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      4.326 ppm2      1.273 CV     1
 ASSI { 1571}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 62   and name HB3 ))
      2.200     0.600     0.600 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.11480E-02 ppm1      1.794 ppm2      1.279 CV     1
 ASSI { 1578}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name HG  ))
      2.900     1.000     1.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.55145E-03 ppm1      1.273 ppm2      2.054 CV     1
 ASSI { 1579}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.500     1.600     1.600 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.51806E-03 ppm1      2.050 ppm2      1.788 CV     1
 ASSI { 1584}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name HD11))
      3.800     1.800     1.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.92600E-03 ppm1      1.271 ppm2      0.923 CV     1
 OR { 1584}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name HD13))
 OR { 1584}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name HD12))
 ASSI { 1586}
   (( segid "A   " and resid 62   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
      2.300     0.700     0.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.83408E-02 ppm1      0.925 ppm2      1.486 CV     1
 OR { 1586}
   (( segid "A   " and resid 62   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
 OR { 1586}
   (( segid "A   " and resid 62   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI { 1587}
   (( segid "A   " and resid 62   and name HD13))
   (  segid "C   " and resid 1907  and name HB% )
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.84190E-02 ppm1      0.925 ppm2      1.646 CV     1
 OR { 1587}
   (( segid "A   " and resid 62   and name HD11))
   (  segid "C   " and resid 1907  and name HB% )
 OR { 1587}
   (( segid "A   " and resid 62   and name HD12))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI { 1588}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 62   and name HB2 ))
      2.600     0.800     0.800 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.30411E-02 ppm1      0.929 ppm2      1.796 CV     1
 OR { 1588}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 62   and name HB2 ))
 OR { 1588}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI { 1589}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 62   and name HG  ))
      2.100     0.600     0.600 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.58483E-02 ppm1      0.924 ppm2      2.051 CV     1
 OR { 1589}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 62   and name HG  ))
 OR { 1589}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 62   and name HG  ))
 ASSI { 1590}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 61   and name HB3 ))
      3.100     1.200     1.200 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.17590E-02 ppm1      0.925 ppm2      2.907 CV     1
 OR { 1590}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 61   and name HB3 ))
 OR { 1590}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 61   and name HB3 ))
 ASSI { 1591}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 61   and name HB2 ))
      3.400     1.500     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.90434E-03 ppm1      0.925 ppm2      3.144 CV     1
 OR { 1591}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 61   and name HB2 ))
 OR { 1591}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 61   and name HB2 ))
 ASSI { 1592}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 81   and name HB2 ))
      4.700     2.800     1.300 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.61105E-03 ppm1      0.918 ppm2      3.306 CV     1
 OR { 1592}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 81   and name HB2 ))
 OR { 1592}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI { 1593}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 78   and name HB3 ))
      3.800     1.800     1.800 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.35786E-02 ppm1      0.925 ppm2      3.458 CV     1
 OR { 1593}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 78   and name HB3 ))
 OR { 1593}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 78   and name HB3 ))
 ASSI { 1594}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.23735E-02 ppm1      0.925 ppm2      3.853 CV     1
 OR { 1594}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 58   and name HA  ))
 OR { 1594}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI { 1596}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 62   and name HA  ))
      2.300     0.700     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.94008E-02 ppm1      0.928 ppm2      4.316 CV     1
 OR { 1596}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1596}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 62   and name HA  ))
 ASSI { 1597}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "C   " and resid 1904  and name HB  ))
      2.700     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.18249E-02 ppm1      0.927 ppm2      4.747 CV     1
 OR { 1597}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "C   " and resid 1904  and name HB  ))
 OR { 1597}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "C   " and resid 1904  and name HB  ))
 ASSI { 1600}
   (( segid "A   " and resid 62   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
      3.900     1.900     1.900 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.14146E-02 ppm1      0.925 ppm2      7.029 CV     1
 OR { 1600}
   (( segid "A   " and resid 62   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
 OR { 1600}
   (( segid "A   " and resid 62   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 1601}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 62   and name H   ))
      2.700     0.900     0.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.32059E-02 ppm1      0.924 ppm2      7.712 CV     1
 OR { 1601}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 62   and name H   ))
 OR { 1601}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 62   and name H   ))
 ASSI { 1602}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 78   and name H   ))
      3.800     1.800     1.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.26206E-02 ppm1      0.926 ppm2      8.243 CV     1
 OR { 1602}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 78   and name H   ))
 OR { 1602}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 78   and name H   ))
 ASSI { 1603}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HD13))
      2.100     0.500     0.500 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.16938E-01 ppm1      0.288 ppm2      0.917 CV     1
 OR { 1603}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HD11))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HD12))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HD12))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HD12))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HD11))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HD13))
 OR { 1603}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HD13))
 ASSI { 1605}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HD11))
      2.100     0.500     0.500 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.16619E-01 ppm1      0.291 ppm2      0.773 CV     1
 OR { 1605}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name HD11))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HD12))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HD11))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HD12))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name HD12))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HD13))
 OR { 1605}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HD13))
 ASSI { 1607}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HB3 ))
      2.300     0.700     0.700 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.68085E-02 ppm1      0.288 ppm2      1.257 CV     1
 OR { 1607}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HB3 ))
 OR { 1607}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1608}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "C   " and resid 1904  and name HG2%)
      3.500     1.600     1.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.28851E-02 ppm1      0.288 ppm2      1.487 CV     1
 OR { 1608}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "C   " and resid 1904  and name HG2%)
 OR { 1608}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI { 1612}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.46040E-02 ppm1      0.289 ppm2      1.794 CV     1
 OR { 1612}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HB2 ))
 OR { 1612}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI { 1613}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HG  ))
      2.100     0.600     0.600 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.61993E-02 ppm1      0.289 ppm2      2.051 CV     1
 OR { 1613}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HG  ))
 OR { 1613}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HG  ))
 ASSI { 1621}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 78   and name HB3 ))
      3.400     1.500     1.500 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      0.288 ppm2      3.465 CV     1
 OR { 1621}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 78   and name HB3 ))
 OR { 1621}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 78   and name HB3 ))
 ASSI { 1622}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.65396E-02 ppm1      0.288 ppm2      3.550 CV     1
 OR { 1622}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 20   and name HA  ))
 OR { 1622}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1624}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.29566E-02 ppm1      0.289 ppm2      3.868 CV     1
 OR { 1624}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 59   and name HA  ))
 OR { 1624}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 59   and name HA  ))
 ASSI { 1625}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.29176E-02 ppm1      0.289 ppm2      4.341 CV     1
 OR { 1625}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1625}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name HA  ))
 ASSI { 1626}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 78   and name HA  ))
      4.000     2.000     2.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.15121E-02 ppm1      0.288 ppm2      4.285 CV     1
 OR { 1626}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 78   and name HA  ))
 OR { 1626}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 78   and name HA  ))
 ASSI { 1627}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name HA  ))
      3.300     1.300     1.300 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.36719E-02 ppm1      0.290 ppm2      5.253 CV     1
 OR { 1627}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HA  ))
 OR { 1627}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HA  ))
 ASSI { 1631}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "A   " and resid 78   and name HE% )
      3.400     1.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.13762E-02 ppm1      0.289 ppm2      7.027 CV     1
 OR { 1631}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "A   " and resid 78   and name HE% )
 OR { 1631}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 1634}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 62   and name H   ))
      3.600     1.600     1.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.26683E-02 ppm1      0.288 ppm2      7.713 CV     1
 OR { 1634}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 62   and name H   ))
 OR { 1634}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 62   and name H   ))
 ASSI { 1637}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 78   and name H   ))
      4.600     2.600     1.400 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.10257E-02 ppm1      0.289 ppm2      8.242 CV     1
 OR { 1637}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 78   and name H   ))
 OR { 1637}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 78   and name H   ))
 ASSI { 1641}
   (( segid "A   " and resid 62   and name HD11))
   (( segid "A   " and resid 63   and name H   ))
      4.400     2.400     1.600 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.86204E-03 ppm1      0.927 ppm2      7.862 CV     1
 OR { 1641}
   (( segid "A   " and resid 62   and name HD13))
   (( segid "A   " and resid 63   and name H   ))
 OR { 1641}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 63   and name H   ))
 ASSI { 1647}
   (( segid "B   " and resid 62   and name HB2 ))
   (( segid "B   " and resid 62   and name HB3 ))
      2.100     0.500     0.500 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      1.674 ppm2      1.376 CV     1
 ASSI { 1652}
   (( segid "B   " and resid 62   and name HB3 ))
   (( segid "B   " and resid 62   and name HG  ))
      2.700     0.900     0.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.79747E-03 ppm1      1.370 ppm2      1.808 CV     1
 ASSI { 1664}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HD23))
      2.000     0.500     0.500 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.16428E-01 ppm1      0.556 ppm2      0.412 CV     1
 OR { 1664}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1664}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HD22))
 ASSI { 1665}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD2%)
      2.100     0.500     0.500 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.10359E-01 ppm1      0.556 ppm2      1.018 CV     1
 OR { 1665}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD2%)
 OR { 1665}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI { 1668}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD1%)
      2.000     0.500     0.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.12269E-01 ppm1      0.556 ppm2      1.189 CV     1
 OR { 1668}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD1%)
 OR { 1668}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI { 1669}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HB3 ))
      2.400     0.700     0.700 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.41878E-02 ppm1      0.556 ppm2      1.380 CV     1
 OR { 1669}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HB3 ))
 OR { 1669}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1670}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HG  ))
      1.900     0.500     0.500 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.95461E-02 ppm1      0.556 ppm2      1.813 CV     1
 OR { 1670}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HG  ))
 OR { 1670}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HG  ))
 ASSI { 1671}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.39473E-02 ppm1      0.556 ppm2      1.675 CV     1
 OR { 1671}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HB2 ))
 OR { 1671}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI { 1673}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 61   and name HB3 ))
      3.300     1.300     1.300 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.12201E-02 ppm1      0.557 ppm2      2.320 CV     1
 OR { 1673}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 61   and name HB3 ))
 OR { 1673}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 61   and name HB3 ))
 ASSI { 1674}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 81   and name HB3 ))
      4.400     2.400     1.600 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.84838E-03 ppm1      0.556 ppm2      2.579 CV     1
 OR { 1674}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 81   and name HB3 ))
 OR { 1674}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 81   and name HG  ))
 OR { 1674}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 81   and name HB3 ))
 OR { 1674}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 81   and name HG  ))
 OR { 1674}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 81   and name HG  ))
 ASSI { 1675}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 61   and name HB2 ))
      4.200     2.200     1.800 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.79292E-03 ppm1      0.556 ppm2      2.873 CV     1
 OR { 1675}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 61   and name HB2 ))
 OR { 1675}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 61   and name HB2 ))
 ASSI { 1681}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 62   and name HB3 ))
      2.900     1.000     1.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.62687E-02 ppm1      0.414 ppm2      1.389 CV     1
 OR { 1681}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 62   and name HB3 ))
 OR { 1681}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1682}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HG  ))
      2.400     0.700     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      0.415 ppm2      1.424 CV     1
 OR { 1682}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HG  ))
 OR { 1682}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HG  ))
 ASSI { 1684}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 59   and name HE1 ))
      3.800     1.800     1.800 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.14107E-02 ppm1      0.413 ppm2      1.972 CV     1
 OR { 1684}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 1684}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 59   and name HE3 ))
 ASSI { 1686}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 62   and name HG  ))
      2.000     0.500     0.500 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.86834E-02 ppm1      0.414 ppm2      1.810 CV     1
 OR { 1686}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 62   and name HG  ))
 OR { 1686}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 62   and name HG  ))
 ASSI { 1687}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 62   and name HB2 ))
      2.300     0.700     0.700 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.50851E-02 ppm1      0.414 ppm2      1.675 CV     1
 OR { 1687}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 62   and name HB2 ))
 OR { 1687}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI { 1688}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 74   and name HG3 ))
      4.500     2.600     1.500 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.73070E-03 ppm1      0.412 ppm2      2.594 CV     1
 OR { 1688}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 74   and name HG3 ))
 OR { 1688}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 74   and name HG3 ))
 ASSI { 1689}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 61   and name HB3 ))
      3.400     1.400     1.400 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.65874E-03 ppm1      0.419 ppm2      2.322 CV     1
 OR { 1689}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 61   and name HB3 ))
 OR { 1689}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 61   and name HB3 ))
 ASSI { 1690}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.75130E-03 ppm1      0.415 ppm2      2.256 CV     1
 OR { 1690}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HB  ))
 OR { 1690}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 70   and name HB  ))
 ASSI { 1692}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 61   and name HB2 ))
      3.500     1.600     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.62406E-03 ppm1      0.416 ppm2      2.881 CV     1
 OR { 1692}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 61   and name HB2 ))
 OR { 1692}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 61   and name HB2 ))
 ASSI { 1693}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 78   and name HB2 ))
      2.300     0.700     0.700 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.20954E-02 ppm1      0.556 ppm2      3.400 CV     1
 OR { 1693}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 78   and name HB2 ))
 OR { 1693}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 78   and name HB2 ))
 ASSI { 1694}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 78   and name HB3 ))
      3.500     1.500     1.500 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.33923E-02 ppm1      0.556 ppm2      3.240 CV     1
 OR { 1694}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 78   and name HB3 ))
 OR { 1694}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 78   and name HB3 ))
 ASSI { 1695}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 78   and name HB2 ))
      4.300     2.300     1.700 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.83757E-03 ppm1      0.413 ppm2      3.399 CV     1
 OR { 1695}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 78   and name HB2 ))
 OR { 1695}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 78   and name HB2 ))
 ASSI { 1696}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 78   and name HB3 ))
      4.500     2.500     1.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.15982E-02 ppm1      0.414 ppm2      3.239 CV     1
 OR { 1696}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 78   and name HB3 ))
 OR { 1696}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 78   and name HB3 ))
 ASSI { 1697}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name HA  ))
      2.000     0.500     0.500 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.10335E-01 ppm1      0.556 ppm2      4.270 CV     1
 OR { 1697}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name HA  ))
 OR { 1697}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name HA  ))
 ASSI { 1701}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 59   and name HA  ))
      3.000     1.200     1.200 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.20965E-02 ppm1      0.415 ppm2      3.924 CV     1
 OR { 1701}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 59   and name HA  ))
 OR { 1701}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 59   and name HA  ))
 ASSI { 1702}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.28287E-02 ppm1      0.556 ppm2      4.328 CV     1
 OR { 1702}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 78   and name HA  ))
 OR { 1702}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 78   and name HA  ))
 ASSI { 1703}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 62   and name HA  ))
      2.900     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.38453E-02 ppm1      0.414 ppm2      4.273 CV     1
 OR { 1703}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 62   and name HA  ))
 OR { 1703}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 62   and name HA  ))
 ASSI { 1705}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "B   " and resid 78   and name HD% )
      2.400     0.700     0.700 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.57550E-02 ppm1      0.556 ppm2      7.012 CV     1
 OR { 1705}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "B   " and resid 78   and name HD% )
 OR { 1705}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 1706}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "B   " and resid 78   and name HE% )
      3.900     1.900     1.900 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1      0.556 ppm2      6.894 CV     1
 OR { 1706}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "B   " and resid 78   and name HE% )
 OR { 1706}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 1707}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 78   and name HZ  ))
      5.000     3.100     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.53411E-03 ppm1      0.554 ppm2      6.824 CV     1
 OR { 1707}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 1707}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 1708}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 62   and name H   ))
      3.100     1.200     1.200 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.32774E-02 ppm1      0.556 ppm2      7.999 CV     1
 OR { 1708}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 62   and name H   ))
 OR { 1708}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 1710}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 78   and name H   ))
      3.600     1.600     1.600 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.19558E-02 ppm1      0.555 ppm2      7.685 CV     1
 OR { 1710}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 78   and name H   ))
 OR { 1710}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 78   and name H   ))
 ASSI { 1711}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 62   and name H   ))
      2.600     0.800     0.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.37781E-02 ppm1      0.414 ppm2      7.998 CV     1
 OR { 1711}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 62   and name H   ))
 OR { 1711}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 1712}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 63   and name H   ))
      4.300     2.300     1.700 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.96936E-03 ppm1      0.415 ppm2      7.744 CV     1
 OR { 1712}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 63   and name H   ))
 OR { 1712}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 63   and name H   ))
 ASSI { 1713}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 78   and name H   ))
      4.900     3.000     1.100 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.10838E-02 ppm1      0.412 ppm2      7.692 CV     1
 OR { 1713}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 78   and name H   ))
 OR { 1713}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 78   and name H   ))
 ASSI { 1714}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "B   " and resid 78   and name HD% )
      2.900     1.100     1.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.33229E-02 ppm1      0.414 ppm2      7.012 CV     1
 OR { 1714}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "B   " and resid 78   and name HD% )
 OR { 1714}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 1715}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
      3.400     1.400     1.400 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.20228E-02 ppm1      0.414 ppm2      6.893 CV     1
 OR { 1715}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "B   " and resid 78   and name HE% )
 OR { 1715}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 1716}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 78   and name HZ  ))
      4.600     2.700     1.400 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.66306E-03 ppm1      0.413 ppm2      6.823 CV     1
 OR { 1716}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 1716}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 1719}
   (( segid "A   " and resid 61   and name HA  ))
   (( segid "A   " and resid 61   and name HD21))
      3.700     1.700     1.700 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.68453E-03 ppm1      4.449 ppm2      7.406 CV     1
 ASSI { 1722}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 61   and name HD21))
      3.500     1.500     1.500 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.40619E-03 ppm1      3.155 ppm2      7.394 CV     1
 ASSI { 1723}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 61   and name HD22))
      4.500     2.500     1.500 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.48207E-03 ppm1      3.155 ppm2      6.617 CV     1
 ASSI { 1724}
   (( segid "A   " and resid 61   and name HB3 ))
   (( segid "A   " and resid 61   and name HD21))
      3.400     1.500     1.500 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.65331E-03 ppm1      2.886 ppm2      7.404 CV     1
 ASSI { 1725}
   (( segid "A   " and resid 61   and name HB3 ))
   (( segid "A   " and resid 61   and name HD22))
      4.000     2.000     2.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      2.893 ppm2      6.631 CV     1
 ASSI { 1729}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 61   and name HB3 ))
      2.300     0.600     0.600 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.14837E-02 ppm1      3.148 ppm2      2.899 CV     1
 ASSI { 1730}
   (( segid "A   " and resid 61   and name HA  ))
   (( segid "A   " and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.18505E-02 ppm1      4.456 ppm2      3.147 CV     1
 ASSI { 1731}
   (( segid "A   " and resid 61   and name HA  ))
   (( segid "A   " and resid 61   and name HB3 ))
      2.700     0.900     0.900 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      4.457 ppm2      2.897 CV     1
 ASSI { 1733}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 62   and name H   ))
      3.400     1.400     1.400 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      4.556 ppm2      7.999 CV     1
 ASSI { 1734}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HD22))
      4.000     2.000     2.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.84884E-03 ppm1      4.556 ppm2      6.891 CV     1
 ASSI { 1736}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "A   " and resid 45   and name HD% )
      3.000     1.200     1.200 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      2.860 ppm2      7.190 CV     1
 OR { 1736}
   (( segid "A   " and resid 45   and name HB3 ))
   (  segid "A   " and resid 45   and name HD% )
 ASSI { 1737}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 61   and name HD22))
      4.600     2.600     1.400 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.55923E-03 ppm1      2.868 ppm2      6.919 CV     1
 ASSI { 1740}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 61   and name HD22))
      4.500     2.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.49724E-03 ppm1      2.334 ppm2      6.904 CV     1
 ASSI { 1741}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HD21))
      3.600     1.600     1.600 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.79918E-03 ppm1      4.551 ppm2      7.120 CV     1
 ASSI { 1742}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 61   and name HD21))
      3.400     1.400     1.400 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.39796E-03 ppm1      2.868 ppm2      7.120 CV     1
 OR { 1742}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 61   and name HD21))
 ASSI { 1745}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.20111E-02 ppm1      4.557 ppm2      2.868 CV     1
 ASSI { 1746}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 61   and name HB2 ))
      2.100     0.600     0.600 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.17493E-02 ppm1      2.331 ppm2      2.862 CV     1
 ASSI { 1747}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HB3 ))
      2.700     0.900     0.900 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.24949E-02 ppm1      4.556 ppm2      2.330 CV     1
 ASSI { 1749}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.300     1.300     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      2.326 ppm2      1.017 CV     1
 ASSI { 1753}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.11776E-02 ppm1      4.242 ppm2      2.437 CV     1
 ASSI { 1754}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 63   and name HB2 ))
      3.100     1.200     1.200 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.10979E-02 ppm1      4.243 ppm2      2.930 CV     1
 ASSI { 1755}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 57   and name HD3 ))
      4.200     2.200     1.800 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.13764E-02 ppm1      4.068 ppm2      1.776 CV     1
 OR { 1755}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI { 1756}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.500     2.500     3.500 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.14014E-02 ppm1      4.069 ppm2      1.873 CV     1
 OR { 1756}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI { 1757}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 59   and name HB2 ))
      2.700     2.700     3.300 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.84212E-03 ppm1      4.069 ppm2      2.183 CV     1
 OR { 1757}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 59   and name HB2 ))
 ASSI { 1760}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.12438E-01 ppm1      4.067 ppm2      4.245 CV     1
 OR { 1760}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name HA  ))
 ASSI { 1761}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name H   ))
      2.200     0.600     0.600 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.10101E-01 ppm1      4.067 ppm2      8.078 CV     1
 OR { 1761}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name H   ))
 ASSI { 1762}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 61   and name H   ))
      2.700     0.900     0.900 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.45281E-02 ppm1      4.068 ppm2      8.328 CV     1
 OR { 1762}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 61   and name H   ))
 ASSI { 1766}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 60   and name H   ))
      2.200     0.600     0.600 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.10667E-01 ppm1      4.033 ppm2      8.052 CV     1
 OR { 1766}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 60   and name H   ))
 ASSI { 1767}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 62   and name H   ))
      3.600     1.700     1.700 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.19725E-02 ppm1      4.032 ppm2      7.994 CV     1
 OR { 1767}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 1768}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 61   and name H   ))
      3.000     1.100     1.100 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.43180E-02 ppm1      4.033 ppm2      7.716 CV     1
 OR { 1768}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 61   and name H   ))
 ASSI { 1771}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 63   and name H   ))
      3.200     1.300     1.300 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.12759E-02 ppm1      4.310 ppm2      7.756 CV     1
 ASSI { 1773}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 63   and name HB2 ))
      4.000     2.000     2.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      4.309 ppm2      2.913 CV     1
 ASSI { 1774}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 63   and name HB3 ))
      3.100     1.200     1.200 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.10762E-02 ppm1      4.313 ppm2      2.432 CV     1
 ASSI { 1775}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.12969E-01 ppm1      4.030 ppm2      4.301 CV     1
 OR { 1775}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 60   and name HA  ))
 ASSI { 1776}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 59   and name HB3 ))
      3.600     1.700     1.700 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      4.033 ppm2      1.914 CV     1
 OR { 1776}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 59   and name HB3 ))
 ASSI { 1777}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 59   and name HE2 ))
      4.200     2.200     1.800 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      4.034 ppm2      1.955 CV     1
 OR { 1777}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 1777}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1777}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1777}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 1777}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 59   and name HE3 ))
 ASSI { 1778}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 63   and name HB2 ))
      5.000     3.200     1.000 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.73438E-03 ppm1      4.035 ppm2      2.895 CV     1
 OR { 1778}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1779}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 59   and name HB3 ))
      2.900     1.100     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.28114E-02 ppm1      3.873 ppm2      1.858 CV     1
 ASSI { 1780}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.26163E-02 ppm1      3.873 ppm2      2.171 CV     1
 ASSI { 1783}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HB3 ))
      2.900     1.100     1.100 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.19142E-02 ppm1      3.870 ppm2      1.573 CV     1
 ASSI { 1784}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.19480E-02 ppm1      3.868 ppm2      1.745 CV     1
 ASSI { 1785}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HG  ))
      3.000     1.100     1.100 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.14844E-02 ppm1      3.872 ppm2      1.384 CV     1
 ASSI { 1786}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.75953E-03 ppm1      3.875 ppm2      3.156 CV     1
 ASSI { 1787}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 61   and name HB3 ))
      4.300     2.300     1.700 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.78142E-03 ppm1      3.870 ppm2      2.900 CV     1
 ASSI { 1789}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 59   and name H   ))
      2.900     1.100     1.100 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.30195E-02 ppm1      3.874 ppm2      7.961 CV     1
 ASSI { 1790}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 60   and name H   ))
      3.300     1.300     1.300 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      3.872 ppm2      8.078 CV     1
 ASSI { 1791}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name H   ))
      2.600     0.800     0.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.25643E-02 ppm1      3.869 ppm2      8.332 CV     1
 ASSI { 1793}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name H   ))
      4.300     2.300     1.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.13311E-02 ppm1      2.433 ppm2      7.964 CV     1
 ASSI { 1794}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 60   and name H   ))
      4.400     2.400     1.600 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      2.529 ppm2      8.077 CV     1
 ASSI { 1795}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 60   and name H   ))
      4.100     2.100     1.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      2.432 ppm2      8.076 CV     1
 ASSI { 1802}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.19246E-02 ppm1      2.533 ppm2      3.873 CV     1
 ASSI { 1803}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.19914E-02 ppm1      2.431 ppm2      3.875 CV     1
 ASSI { 1805}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 62   and name HD21))
      4.000     2.000     2.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.13829E-02 ppm1      3.868 ppm2      0.288 CV     1
 OR { 1805}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1805}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 1808}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 59   and name HB3 ))
      1.900     0.400     0.400 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.52607E-02 ppm1      2.175 ppm2      1.857 CV     1
 ASSI { 1811}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 59   and name HG2 ))
      2.600     0.800     0.800 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.21936E-02 ppm1      1.857 ppm2      2.527 CV     1
 ASSI { 1812}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 59   and name HG3 ))
      2.800     1.000     1.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.20157E-02 ppm1      1.854 ppm2      2.431 CV     1
 ASSI { 1813}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 70   and name HG22))
      4.500     2.500     1.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      2.532 ppm2      0.871 CV     1
 OR { 1813}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1813}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 70   and name HG23))
 ASSI { 1816}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 31   and name HG2 ))
      2.700     0.900     0.900 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.95309E-03 ppm1      2.533 ppm2      1.575 CV     1
 ASSI { 1817}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 31   and name HG2 ))
      3.800     1.800     1.800 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      2.433 ppm2      1.575 CV     1
 ASSI { 1820}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.31907E-02 ppm1      2.431 ppm2      2.175 CV     1
 ASSI { 1821}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 59   and name HG3 ))
      1.500     0.300     0.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.22651E-01 ppm1      2.531 ppm2      2.431 CV     1
 ASSI { 1823}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 31   and name HD3 ))
      3.800     1.800     1.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.94660E-03 ppm1      2.527 ppm2      1.775 CV     1
 OR { 1823}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 31   and name HD2 ))
 ASSI { 1825}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 62   and name HD22))
      3.400     1.400     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.34637E-02 ppm1      1.903 ppm2      0.288 CV     1
 OR { 1825}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 62   and name HD21))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 62   and name HD21))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 62   and name HD23))
 OR { 1825}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 1826}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 34   and name HD11))
      2.100     0.500     0.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.23627E-01 ppm1      1.903 ppm2      0.784 CV     1
 OR { 1826}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1826}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 34   and name HD12))
 ASSI { 1827}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG22))
      1.800     0.400     0.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.35721E-01 ppm1      1.903 ppm2      0.873 CV     1
 OR { 1827}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG23))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG23))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1827}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name HG21))
 ASSI { 1828}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG11))
      3.400     1.500     1.500 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.48119E-02 ppm1      1.903 ppm2      1.187 CV     1
 OR { 1828}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HG12))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1828}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name HG13))
 ASSI { 1831}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 59   and name HG3 ))
      1.900     0.400     0.400 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.20768E-01 ppm1      1.903 ppm2      2.433 CV     1
 OR { 1831}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 59   and name HG3 ))
 OR { 1831}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 59   and name HG3 ))
 ASSI { 1832}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 59   and name HG2 ))
      2.400     0.700     0.700 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.18802E-01 ppm1      1.903 ppm2      2.530 CV     1
 OR { 1832}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 59   and name HG2 ))
 OR { 1832}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 59   and name HG2 ))
 ASSI { 1835}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 68   and name HB2 ))
      3.500     1.500     1.500 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.28200E-02 ppm1      1.903 ppm2      3.189 CV     1
 OR { 1835}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 68   and name HB2 ))
 OR { 1835}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 68   and name HB2 ))
 ASSI { 1836}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 68   and name HB3 ))
      3.000     1.100     1.100 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.35831E-02 ppm1      1.902 ppm2      3.120 CV     1
 OR { 1836}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 68   and name HB3 ))
 OR { 1836}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 68   and name HB3 ))
 ASSI { 1837}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.36981E-02 ppm1      1.903 ppm2      3.468 CV     1
 OR { 1837}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 30   and name HB2 ))
 OR { 1837}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI { 1838}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.63533E-02 ppm1      1.903 ppm2      3.873 CV     1
 OR { 1838}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 59   and name HA  ))
 OR { 1838}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 59   and name HA  ))
 ASSI { 1839}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 68   and name HA  ))
      2.500     0.800     0.800 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.68908E-02 ppm1      1.903 ppm2      4.135 CV     1
 OR { 1839}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 68   and name HA  ))
 OR { 1839}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 68   and name HA  ))
 ASSI { 1840}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 31   and name HA  ))
      2.100     2.100     3.900 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.18843E-01 ppm1      1.903 ppm2      4.040 CV     1
 OR { 1840}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 31   and name HA  ))
 OR { 1840}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1842}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 63   and name HA  ))
      2.800     2.800     3.200 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.77794E-02 ppm1      1.903 ppm2      4.766 CV     1
 OR { 1842}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 63   and name HA  ))
 OR { 1842}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 63   and name HA  ))
 ASSI { 1843}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name HA  ))
      3.400     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.903 ppm2      5.282 CV     1
 OR { 1843}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name HA  ))
 OR { 1843}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name HA  ))
 ASSI { 1845}
   (( segid "A   " and resid 59   and name HE1 ))
   (  segid "A   " and resid 55   and name HD% )
      2.300     2.300     3.700 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.22673E-02 ppm1      1.903 ppm2      7.218 CV     1
 OR { 1845}
   (( segid "A   " and resid 59   and name HE3 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1845}
   (( segid "A   " and resid 59   and name HE2 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1845}
   (( segid "A   " and resid 59   and name HE1 ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 1847}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 32   and name H   ))
      2.200     2.200     3.800 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.26271E-02 ppm1      1.903 ppm2      7.666 CV     1
 OR { 1847}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 32   and name H   ))
 OR { 1847}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 32   and name H   ))
 ASSI { 1848}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 60   and name H   ))
      4.100     2.100     1.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      1.903 ppm2      8.079 CV     1
 OR { 1848}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 60   and name H   ))
 OR { 1848}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 60   and name H   ))
 ASSI { 1849}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 59   and name H   ))
      3.400     1.400     1.400 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.44610E-02 ppm1      1.903 ppm2      7.965 CV     1
 OR { 1849}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 59   and name H   ))
 OR { 1849}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 59   and name H   ))
 ASSI { 1851}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 31   and name H   ))
      2.200     0.600     0.600 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.14085E-01 ppm1      1.903 ppm2      8.389 CV     1
 OR { 1851}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 31   and name H   ))
 OR { 1851}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 31   and name H   ))
 ASSI { 1852}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 67   and name H   ))
      4.400     2.400     1.600 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.81219E-03 ppm1      1.902 ppm2      8.607 CV     1
 OR { 1852}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 67   and name H   ))
 OR { 1852}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 67   and name H   ))
 ASSI { 1853}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 33   and name H   ))
      2.600     2.600     3.400 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.91212E-03 ppm1      1.901 ppm2      8.682 CV     1
 OR { 1853}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 33   and name H   ))
 OR { 1853}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 33   and name H   ))
 ASSI { 1854}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 34   and name H   ))
      2.700     2.700     3.300 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.29566E-02 ppm1      1.903 ppm2      8.931 CV     1
 OR { 1854}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 1855}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 71   and name H   ))
      4.500     2.500     1.500 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.10929E-02 ppm1      1.903 ppm2      9.117 CV     1
 OR { 1855}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 71   and name H   ))
 OR { 1855}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 71   and name H   ))
 ASSI { 1857}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 70   and name H   ))
      2.300     0.600     0.600 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.10287E-01 ppm1      1.903 ppm2      9.993 CV     1
 OR { 1857}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 70   and name H   ))
 OR { 1857}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 70   and name H   ))
 ASSI { 1858}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 68   and name H   ))
      3.400     1.500     1.500 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.27398E-02 ppm1      1.903 ppm2     10.399 CV     1
 OR { 1858}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 68   and name H   ))
 OR { 1858}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 68   and name H   ))
 ASSI { 1859}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 62   and name H   ))
      4.200     2.200     1.800 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.98192E-03 ppm1      1.904 ppm2      7.704 CV     1
 OR { 1859}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 62   and name H   ))
 OR { 1859}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 62   and name H   ))
 ASSI { 1860}
   (( segid "A   " and resid 59   and name HE1 ))
   (  segid "A   " and resid 75   and name HD% )
      4.600     2.600     1.400 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.68085E-03 ppm1      1.904 ppm2      6.934 CV     1
 OR { 1860}
   (( segid "A   " and resid 59   and name HE3 ))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1860}
   (( segid "A   " and resid 59   and name HE2 ))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 1863}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.16411E-02 ppm1      3.926 ppm2      2.255 CV     1
 ASSI { 1870}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 31   and name HG2 ))
      2.800     1.000     1.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      2.597 ppm2      1.590 CV     1
 ASSI { 1871}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 31   and name HG3 ))
      3.000     1.100     1.100 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.75866E-03 ppm1      2.604 ppm2      1.500 CV     1
 ASSI { 1873}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.30021E-02 ppm1      2.601 ppm2      1.902 CV     1
 ASSI { 1874}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 31   and name HD3 ))
      3.600     1.600     1.600 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.93837E-03 ppm1      2.603 ppm2      1.777 CV     1
 OR { 1874}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 31   and name HD2 ))
 ASSI { 1876}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 59   and name HB2 ))
      2.100     0.500     0.500 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.38627E-02 ppm1      2.601 ppm2      2.260 CV     1
 ASSI { 1877}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.26380E-02 ppm1      2.446 ppm2      2.256 CV     1
 ASSI { 1878}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 59   and name HB2 ))
      1.800     0.400     0.400 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.30216E-02 ppm1      1.906 ppm2      2.256 CV     1
 ASSI { 1879}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 59   and name HG3 ))
      1.600     0.300     0.600 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.11527E-01 ppm1      2.603 ppm2      2.450 CV     1
 ASSI { 1883}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.13649E-02 ppm1      1.904 ppm2      3.923 CV     1
 ASSI { 1884}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.12516E-02 ppm1      2.606 ppm2      3.932 CV     1
 ASSI { 1885}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 59   and name HA  ))
      3.300     1.300     1.300 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      2.445 ppm2      3.926 CV     1
 ASSI { 1895}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 60   and name H   ))
      4.400     2.500     1.600 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.87137E-03 ppm1      2.604 ppm2      8.054 CV     1
 ASSI { 1896}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 59   and name H   ))
      4.400     2.400     1.600 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.92729E-03 ppm1      2.457 ppm2      8.268 CV     1
 ASSI { 1897}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 60   and name H   ))
      3.500     1.500     1.500 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.94595E-03 ppm1      2.456 ppm2      8.049 CV     1
 ASSI { 1898}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD11))
      4.600     2.600     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.85035E-03 ppm1      1.972 ppm2      0.553 CV     1
 OR { 1898}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1898}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD12))
 OR { 1898}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1898}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1898}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name HD13))
 OR { 1898}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name HD12))
 ASSI { 1899}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD21))
      3.500     1.500     1.500 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.21535E-02 ppm1      1.972 ppm2      0.411 CV     1
 OR { 1899}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1899}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1899}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1899}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 62   and name HD22))
 OR { 1899}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name HD21))
 OR { 1899}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name HD22))
 ASSI { 1900}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HD23))
      3.900     1.900     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.85707E-03 ppm1      1.969 ppm2      0.277 CV     1
 OR { 1900}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD23))
 OR { 1900}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 1900}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 1900}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD21))
 ASSI { 1901}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HD13))
      3.900     1.900     1.900 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.14193E-02 ppm1      1.971 ppm2      0.731 CV     1
 OR { 1901}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD13))
 OR { 1901}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1901}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HD11))
 OR { 1901}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HD12))
 OR { 1901}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HD12))
 OR { 1901}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 29   and name HD13))
 ASSI { 1903}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD23))
      3.100     1.200     1.200 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.45042E-02 ppm1      1.972 ppm2      0.844 CV     1
 OR { 1903}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1903}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 34   and name HD22))
 ASSI { 1904}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG13))
      3.400     1.500     1.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.41598E-02 ppm1      1.971 ppm2      1.201 CV     1
 OR { 1904}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1904}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG11))
 OR { 1904}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1904}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG11))
 OR { 1904}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1904}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 70   and name HG13))
 ASSI { 1905}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HB3 ))
      3.300     1.300     1.300 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      1.972 ppm2      1.256 CV     1
 OR { 1905}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HB3 ))
 OR { 1905}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 29   and name HB3 ))
 ASSI { 1906}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name HG3 ))
      2.600     0.900     0.900 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.63662E-02 ppm1      1.972 ppm2      1.494 CV     1
 OR { 1906}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 31   and name HG3 ))
 OR { 1906}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 31   and name HG3 ))
 ASSI { 1907}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name HG2 ))
      2.400     0.700     0.700 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.37933E-02 ppm1      1.974 ppm2      1.591 CV     1
 OR { 1907}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 31   and name HG2 ))
 OR { 1907}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 31   and name HG2 ))
 ASSI { 1909}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 59   and name HB2 ))
      1.800     0.400     0.400 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.92665E-02 ppm1      1.971 ppm2      2.257 CV     1
 OR { 1909}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 59   and name HB2 ))
 OR { 1909}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 59   and name HB2 ))
 ASSI { 1910}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 59   and name HG3 ))
      2.600     0.800     0.800 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.14050E-01 ppm1      1.971 ppm2      2.447 CV     1
 OR { 1910}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 59   and name HG3 ))
 OR { 1910}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 59   and name HG3 ))
 ASSI { 1911}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 59   and name HG2 ))
      2.000     0.500     0.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.14215E-01 ppm1      1.971 ppm2      2.602 CV     1
 OR { 1911}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 59   and name HG2 ))
 OR { 1911}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 59   and name HG2 ))
 ASSI { 1912}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 68   and name HB2 ))
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.16723E-02 ppm1      1.973 ppm2      3.208 CV     1
 OR { 1912}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 68   and name HB2 ))
 OR { 1912}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 68   and name HB2 ))
 ASSI { 1913}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 68   and name HB3 ))
      3.400     1.500     1.500 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.31300E-02 ppm1      1.973 ppm2      3.122 CV     1
 OR { 1913}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 68   and name HB3 ))
 OR { 1913}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 68   and name HB3 ))
 ASSI { 1915}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 63   and name HB2 ))
      3.300     1.400     1.400 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.23063E-02 ppm1      1.971 ppm2      2.915 CV     1
 OR { 1915}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 63   and name HB2 ))
 OR { 1915}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1916}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 30   and name HB2 ))
      3.600     1.600     1.600 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.30736E-02 ppm1      1.971 ppm2      3.469 CV     1
 OR { 1916}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR { 1916}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI { 1917}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name HA  ))
      1.800     0.400     0.400 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.17014E-01 ppm1      1.971 ppm2      4.088 CV     1
 OR { 1917}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR { 1917}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI { 1918}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.46040E-02 ppm1      1.971 ppm2      3.925 CV     1
 OR { 1918}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 59   and name HA  ))
 OR { 1918}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 59   and name HA  ))
 ASSI { 1920}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 68   and name HA  ))
      3.000     1.200     1.200 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.53886E-02 ppm1      1.971 ppm2      4.153 CV     1
 OR { 1920}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 68   and name HA  ))
 OR { 1920}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 68   and name HA  ))
 ASSI { 1922}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 69   and name HA  ))
      2.100     0.600     0.600 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.18284E-01 ppm1      1.971 ppm2      4.867 CV     1
 OR { 1922}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 69   and name HA  ))
 OR { 1922}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 69   and name HA  ))
 ASSI { 1923}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 30   and name HA  ))
      1.900     0.500     0.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.10664E-01 ppm1      1.971 ppm2      4.807 CV     1
 OR { 1923}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 30   and name HA  ))
 OR { 1923}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI { 1924}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HA  ))
      3.400     1.500     1.500 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      1.972 ppm2      5.301 CV     1
 OR { 1924}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HA  ))
 OR { 1924}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 70   and name HA  ))
 ASSI { 1925}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 69   and name H   ))
      2.800     1.000     1.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.49140E-02 ppm1      1.971 ppm2      7.822 CV     1
 OR { 1925}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 69   and name H   ))
 OR { 1925}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 69   and name H   ))
 ASSI { 1926}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 61   and name H   ))
      2.900     2.900     3.100 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.30650E-02 ppm1      1.972 ppm2      7.723 CV     1
 OR { 1926}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 61   and name H   ))
 OR { 1926}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 61   and name H   ))
 ASSI { 1927}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 30   and name HD22))
      2.900     2.900     3.100 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.57353E-03 ppm1      1.970 ppm2      7.449 CV     1
 OR { 1927}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 30   and name HD22))
 ASSI { 1928}
   (( segid "B   " and resid 59   and name HE1 ))
   (  segid "B   " and resid 55   and name HE% )
      3.200     1.300     1.300 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.92403E-03 ppm1      1.971 ppm2      7.252 CV     1
 OR { 1928}
   (( segid "B   " and resid 59   and name HE2 ))
   (  segid "B   " and resid 55   and name HE% )
 ASSI { 1929}
   (( segid "B   " and resid 59   and name HE2 ))
   (  segid "B   " and resid 55   and name HD% )
      3.700     1.700     1.700 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.71356E-03 ppm1      1.972 ppm2      7.183 CV     1
 OR { 1929}
   (( segid "B   " and resid 59   and name HE1 ))
   (  segid "B   " and resid 55   and name HD% )
 ASSI { 1930}
   (( segid "B   " and resid 59   and name HE1 ))
   (  segid "B   " and resid 75   and name HD% )
      4.300     2.300     1.700 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.78575E-03 ppm1      1.970 ppm2      6.925 CV     1
 OR { 1930}
   (( segid "B   " and resid 59   and name HE3 ))
   (  segid "B   " and resid 75   and name HD% )
 OR { 1930}
   (( segid "B   " and resid 59   and name HE2 ))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 1931}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 68   and name HD21))
      4.300     2.300     1.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.95202E-03 ppm1      1.971 ppm2      7.512 CV     1
 OR { 1931}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 68   and name HD21))
 OR { 1931}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 68   and name HD21))
 ASSI { 1932}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 62   and name H   ))
      3.500     1.500     1.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.21650E-02 ppm1      1.971 ppm2      8.005 CV     1
 OR { 1932}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 62   and name H   ))
 OR { 1932}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 1933}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 60   and name H   ))
      4.100     2.100     1.900 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      1.971 ppm2      8.046 CV     1
 OR { 1933}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 60   and name H   ))
 OR { 1933}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 60   and name H   ))
 ASSI { 1934}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name H   ))
      2.000     0.500     0.500 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.13064E-01 ppm1      1.972 ppm2      8.345 CV     1
 OR { 1934}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 31   and name H   ))
 OR { 1934}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 31   and name H   ))
 ASSI { 1935}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 59   and name H   ))
      3.400     1.400     1.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.27203E-02 ppm1      1.971 ppm2      8.266 CV     1
 OR { 1935}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 59   and name H   ))
 ASSI { 1936}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 34   and name H   ))
      3.000     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.24516E-02 ppm1      1.972 ppm2      8.923 CV     1
 OR { 1936}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name H   ))
 OR { 1936}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 34   and name H   ))
 ASSI { 1937}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 67   and name H   ))
      4.900     2.900     1.100 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.82695E-03 ppm1      1.973 ppm2      8.725 CV     1
 OR { 1937}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 67   and name H   ))
 OR { 1937}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 67   and name H   ))
 ASSI { 1938}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 33   and name H   ))
      2.600     2.600     3.400 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.96739E-03 ppm1      1.971 ppm2      8.694 CV     1
 OR { 1938}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 33   and name H   ))
 OR { 1938}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 33   and name H   ))
 ASSI { 1939}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name H   ))
      3.900     1.900     1.900 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.12243E-02 ppm1      1.971 ppm2      9.676 CV     1
 OR { 1939}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name H   ))
 OR { 1939}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 29   and name H   ))
 ASSI { 1940}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 30   and name H   ))
      3.500     1.600     1.600 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      1.972 ppm2      9.597 CV     1
 OR { 1940}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 30   and name H   ))
 OR { 1940}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 30   and name H   ))
 ASSI { 1941}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 71   and name H   ))
      4.500     2.500     1.500 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.11432E-02 ppm1      1.972 ppm2      9.363 CV     1
 OR { 1941}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 71   and name H   ))
 OR { 1941}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 71   and name H   ))
 ASSI { 1943}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 68   and name H   ))
      4.000     2.000     2.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.20807E-02 ppm1      1.972 ppm2     10.286 CV     1
 OR { 1943}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 68   and name H   ))
 OR { 1943}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 68   and name H   ))
 ASSI { 1945}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name H   ))
      2.800     1.000     1.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      1.567 ppm2      8.336 CV     1
 ASSI { 1947}
   (( segid "A   " and resid 58   and name HG  ))
   (( segid "A   " and resid 58   and name H   ))
      4.400     2.400     1.600 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.65309E-03 ppm1      1.395 ppm2      8.337 CV     1
 ASSI { 1951}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.78488E-03 ppm1      1.738 ppm2      4.256 CV     1
 ASSI { 1952}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.60976E-03 ppm1      1.574 ppm2      4.243 CV     1
 ASSI { 1956}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HB3 ))
      1.800     0.400     0.400 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.26336E-02 ppm1      1.744 ppm2      1.573 CV     1
 ASSI { 1957}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HG  ))
      3.100     1.200     1.200 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.12830E-02 ppm1      1.748 ppm2      1.386 CV     1
 ASSI { 1960}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HD11))
      3.500     1.500     1.500 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.15451E-02 ppm1      1.572 ppm2      0.864 CV     1
 OR { 1960}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HD13))
 OR { 1960}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HD12))
 ASSI { 1962}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HG  ))
      2.500     0.800     0.800 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.16014E-02 ppm1      1.574 ppm2      1.387 CV     1
 ASSI { 1964}
   (( segid "A   " and resid 58   and name HG  ))
   (( segid "A   " and resid 62   and name HD21))
      2.900     1.100     1.100 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      1.394 ppm2      0.289 CV     1
 OR { 1964}
   (( segid "A   " and resid 58   and name HG  ))
   (( segid "A   " and resid 62   and name HD22))
 OR { 1964}
   (( segid "A   " and resid 58   and name HG  ))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 1967}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 58   and name H   ))
      3.500     1.500     1.500 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.29934E-02 ppm1      0.866 ppm2      8.331 CV     1
 OR { 1967}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 58   and name H   ))
 OR { 1967}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 58   and name H   ))
 ASSI { 1968}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 57   and name H   ))
      4.700     2.800     1.300 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.51806E-03 ppm1      0.865 ppm2      8.117 CV     1
 OR { 1968}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 57   and name H   ))
 OR { 1968}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 57   and name H   ))
 ASSI { 1970}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 62   and name H   ))
      4.000     2.000     2.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      0.865 ppm2      7.716 CV     1
 OR { 1970}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 62   and name H   ))
 OR { 1970}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 62   and name H   ))
 ASSI { 1971}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1904  and name H   ))
      3.900     1.900     1.900 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.71162E-03 ppm1      0.866 ppm2      7.498 CV     1
 OR { 1971}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1904  and name H   ))
 OR { 1971}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1904  and name H   ))
 ASSI { 1972}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 61   and name HD21))
      4.000     2.000     2.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.85730E-03 ppm1      0.864 ppm2      7.403 CV     1
 OR { 1972}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 61   and name HD21))
 OR { 1972}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 61   and name HD21))
 ASSI { 1973}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "A   " and resid 55   and name HD% )
      4.000     2.000     2.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.13485E-02 ppm1      0.864 ppm2      7.221 CV     1
 OR { 1973}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1973}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1973}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1973}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 1975}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
      2.700     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.41878E-02 ppm1      0.865 ppm2      7.030 CV     1
 OR { 1975}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
 OR { 1975}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 1976}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 61   and name HD22))
      4.700     2.800     1.300 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.70881E-03 ppm1      0.867 ppm2      6.616 CV     1
 OR { 1976}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 61   and name HD22))
 OR { 1976}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 61   and name HD22))
 ASSI { 1977}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "A   " and resid 55   and name HE% )
      2.600     0.800     0.800 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.50289E-02 ppm1      0.802 ppm2      7.219 CV     1
 OR { 1977}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1977}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1977}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1977}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 1979}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "A   " and resid 78   and name HE% )
      2.500     0.800     0.800 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.29913E-02 ppm1      0.806 ppm2      7.035 CV     1
 OR { 1979}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "A   " and resid 78   and name HE% )
 OR { 1979}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 1980}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 59   and name H   ))
      3.800     1.800     1.800 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.20111E-02 ppm1      0.806 ppm2      7.960 CV     1
 OR { 1980}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 59   and name H   ))
 OR { 1980}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 59   and name H   ))
 ASSI { 1981}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 58   and name H   ))
      4.000     2.000     2.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.18121E-02 ppm1      0.806 ppm2      8.336 CV     1
 OR { 1981}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 58   and name H   ))
 OR { 1981}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 58   and name H   ))
 ASSI { 1983}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 58   and name HA  ))
      2.000     0.500     0.500 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.10580E-01 ppm1      0.866 ppm2      3.869 CV     1
 OR { 1983}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 58   and name HA  ))
 OR { 1983}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI { 1984}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1904  and name HA  ))
      4.000     2.000     2.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.17014E-02 ppm1      0.864 ppm2      4.682 CV     1
 OR { 1984}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1904  and name HA  ))
 OR { 1984}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1904  and name HA  ))
 ASSI { 1985}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1904  and name HB  ))
      3.800     1.800     1.800 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.85445E-03 ppm1      0.866 ppm2      4.752 CV     1
 OR { 1985}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1904  and name HB  ))
 OR { 1985}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1904  and name HB  ))
 ASSI { 1989}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HA  ))
      3.200     1.300     1.300 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.17497E-02 ppm1      0.866 ppm2      4.201 CV     1
 OR { 1989}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HA  ))
 OR { 1989}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI { 1991}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.31647E-02 ppm1      0.801 ppm2      3.870 CV     1
 OR { 1991}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 58   and name HA  ))
 OR { 1991}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI { 1992}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.18158E-02 ppm1      0.805 ppm2      4.253 CV     1
 OR { 1992}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 1992}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 55   and name HA  ))
 ASSI { 1993}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HA  ))
      4.900     3.000     1.100 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.79941E-03 ppm1      0.802 ppm2      4.194 CV     1
 OR { 1993}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HA  ))
 OR { 1993}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI { 1994}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 61   and name HB2 ))
      3.500     1.500     1.500 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      0.867 ppm2      3.146 CV     1
 OR { 1994}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 61   and name HB2 ))
 OR { 1994}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 61   and name HB2 ))
 ASSI { 1995}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 61   and name HB3 ))
      4.100     2.100     1.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.10799E-02 ppm1      0.867 ppm2      2.901 CV     1
 OR { 1995}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 61   and name HB3 ))
 OR { 1995}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 61   and name HB3 ))
 ASSI { 1996}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1899  and name HG3 ))
      4.700     2.700     1.300 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      0.866 ppm2      2.331 CV     1
 OR { 1996}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1899  and name HG3 ))
 OR { 1996}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1899  and name HG3 ))
 ASSI { 1997}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HG  ))
      2.700     0.900     0.900 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.24624E-02 ppm1      0.864 ppm2      2.161 CV     1
 OR { 1997}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HG  ))
 OR { 1997}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI { 1998}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HB3 ))
      2.000     2.000     4.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.63336E-02 ppm1      0.866 ppm2      2.072 CV     1
 OR { 1998}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR { 1998}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI { 1999}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
      1.900     0.500     0.500 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.10996E-01 ppm1      0.865 ppm2      1.484 CV     1
 OR { 1999}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 OR { 1999}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI { 2000}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 58   and name HG  ))
      2.000     0.500     0.500 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.88764E-02 ppm1      0.866 ppm2      1.390 CV     1
 OR { 2000}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 2000}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 2001}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HB2 ))
      2.200     0.600     0.600 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.81155E-02 ppm1      0.865 ppm2      1.595 CV     1
 OR { 2001}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR { 2001}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR { 2001}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR { 2001}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR { 2001}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI { 2002}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.43028E-02 ppm1      0.865 ppm2      1.745 CV     1
 OR { 2002}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 58   and name HB2 ))
 OR { 2002}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI { 2003}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
      3.700     1.700     1.700 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.33988E-02 ppm1      0.864 ppm2      1.092 CV     1
 OR { 2003}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
 OR { 2003}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI { 2004}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD13))
      2.500     0.800     0.800 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      0.805 ppm2      1.001 CV     1
 OR { 2004}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD13))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 38   and name HD13))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD11))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD11))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD12))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 38   and name HD11))
 OR { 2004}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD12))
 ASSI { 2006}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      3.100     1.200     1.200 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.57311E-02 ppm1      0.805 ppm2      1.091 CV     1
 OR { 2006}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 OR { 2006}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI { 2007}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 58   and name HG  ))
      2.100     0.500     0.500 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.82152E-02 ppm1      0.801 ppm2      1.388 CV     1
 OR { 2007}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 2007}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 2008}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1904  and name HG2%)
      3.800     1.800     1.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.22218E-02 ppm1      0.806 ppm2      1.497 CV     1
 OR { 2008}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1904  and name HG2%)
 OR { 2008}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI { 2009}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 58   and name HB3 ))
      2.300     0.700     0.700 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.63316E-02 ppm1      0.807 ppm2      1.569 CV     1
 OR { 2009}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 58   and name HB3 ))
 OR { 2009}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 58   and name HB3 ))
 ASSI { 2011}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.50505E-02 ppm1      0.805 ppm2      1.743 CV     1
 OR { 2011}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 58   and name HB2 ))
 OR { 2011}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI { 2012}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HG  ))
      2.400     0.700     0.700 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.25014E-02 ppm1      0.803 ppm2      2.158 CV     1
 OR { 2012}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HG  ))
 OR { 2012}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI { 2013}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.100     1.200     1.200 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.37132E-02 ppm1      0.806 ppm2      2.077 CV     1
 OR { 2013}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR { 2013}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI { 2014}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 85   and name HE1 ))
      4.700     2.700     1.300 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.13881E-02 ppm1      0.806 ppm2      2.197 CV     1
 OR { 2014}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 85   and name HE2 ))
 OR { 2014}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 85   and name HE2 ))
 ASSI { 2015}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1899  and name HG3 ))
      5.300     3.500     0.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.78685E-03 ppm1      0.804 ppm2      2.339 CV     1
 OR { 2015}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1899  and name HG3 ))
 OR { 2015}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1899  and name HG3 ))
 ASSI { 2018}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 45   and name HB3 ))
      4.700     2.800     1.300 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.51503E-03 ppm1      0.805 ppm2      2.871 CV     1
 OR { 2018}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 45   and name HB3 ))
 OR { 2018}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 45   and name HB3 ))
 ASSI { 2019}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 62   and name HD21))
      2.700     0.900     0.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.73871E-02 ppm1      0.865 ppm2      0.289 CV     1
 OR { 2019}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2019}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 2020}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD21))
      2.900     1.100     1.100 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.37326E-02 ppm1      0.806 ppm2      0.289 CV     1
 OR { 2020}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2020}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 2024}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 59   and name H   ))
      3.500     1.500     1.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.64398E-03 ppm1      4.026 ppm2      8.266 CV     1
 ASSI { 2025}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 61   and name H   ))
      3.700     1.700     1.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.68821E-03 ppm1      4.029 ppm2      7.723 CV     1
 ASSI { 2026}
   (( segid "B   " and resid 58   and name HB2 ))
   (( segid "B   " and resid 59   and name H   ))
      4.200     2.200     1.800 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.52045E-03 ppm1      1.507 ppm2      8.258 CV     1
 ASSI { 2028}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 59   and name H   ))
      2.900     1.100     1.100 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.85642E-03 ppm1      1.929 ppm2      8.267 CV     1
 ASSI { 2030}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 58   and name HB3 ))
      2.900     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.16819E-02 ppm1      4.026 ppm2      1.917 CV     1
 ASSI { 2031}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.64314E-03 ppm1      4.028 ppm2      2.864 CV     1
 ASSI { 2034}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.14089E-02 ppm1      4.027 ppm2      1.509 CV     1
 ASSI { 2035}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 58   and name HG  ))
      3.100     1.200     1.200 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.95483E-03 ppm1      4.029 ppm2      1.420 CV     1
 ASSI { 2038}
   (( segid "B   " and resid 58   and name HB2 ))
   (( segid "B   " and resid 58   and name HB3 ))
      2.000     0.500     0.500 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.16437E-02 ppm1      1.506 ppm2      1.925 CV     1
 ASSI { 2040}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 58   and name HG  ))
      2.900     1.000     1.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.77881E-03 ppm1      1.928 ppm2      1.420 CV     1
 ASSI { 2046}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 61   and name HB3 ))
      4.400     2.400     1.600 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.45779E-03 ppm1      4.028 ppm2      2.318 CV     1
 ASSI { 2047}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD22))
      2.400     0.700     0.700 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.74349E-02 ppm1      0.901 ppm2      0.413 CV     1
 OR { 2047}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD21))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD23))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HD22))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HD23))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 62   and name HD22))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 62   and name HD23))
 OR { 2047}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HD21))
 ASSI { 2048}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD13))
      3.000     3.000     3.000 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.55794E-02 ppm1      0.901 ppm2      0.554 CV     1
 OR { 2048}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD12))
 OR { 2048}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HD13))
 OR { 2048}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HD12))
 OR { 2048}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 62   and name HD13))
 OR { 2048}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 62   and name HD12))
 OR { 2048}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HD11))
 ASSI { 2049}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 58   and name HG  ))
      2.100     0.500     0.500 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.87983E-02 ppm1      0.901 ppm2      1.415 CV     1
 OR { 2049}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 58   and name HG  ))
 OR { 2049}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 58   and name HG  ))
 ASSI { 2050}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 58   and name HB2 ))
      2.300     0.700     0.700 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.52045E-02 ppm1      0.900 ppm2      1.502 CV     1
 OR { 2050}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 58   and name HB2 ))
 OR { 2050}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 58   and name HB2 ))
 ASSI { 2051}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HG3 ))
      4.000     2.000     2.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      0.900 ppm2      1.613 CV     1
 OR { 2051}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HG3 ))
 OR { 2051}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HG3 ))
 ASSI { 2053}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 62   and name HG  ))
      3.100     3.100     2.900 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.36135E-02 ppm1      0.901 ppm2      1.812 CV     1
 OR { 2053}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 62   and name HG  ))
 OR { 2053}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 62   and name HG  ))
 ASSI { 2054}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 58   and name HB3 ))
      2.900     1.100     1.100 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.46886E-02 ppm1      0.901 ppm2      1.925 CV     1
 OR { 2054}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 2054}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 58   and name HB3 ))
 ASSI { 2056}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 61   and name HB3 ))
      3.800     1.800     1.800 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      0.900 ppm2      2.328 CV     1
 OR { 2056}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 61   and name HB3 ))
 OR { 2056}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 61   and name HB3 ))
 ASSI { 2057}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 61   and name HB2 ))
      3.600     1.600     1.600 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.11614E-02 ppm1      0.900 ppm2      2.861 CV     1
 OR { 2057}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 61   and name HB2 ))
 OR { 2057}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 61   and name HB2 ))
 ASSI { 2058}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1928  and name HB3 ))
      3.500     1.500     1.500 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.88222E-03 ppm1      0.898 ppm2      3.034 CV     1
 OR { 2058}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1928  and name HB3 ))
 OR { 2058}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1928  and name HB3 ))
 ASSI { 2059}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HD2 ))
      2.700     0.900     0.900 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      0.901 ppm2      3.251 CV     1
 OR { 2059}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR { 2059}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI { 2060}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD22))
      2.600     2.600     3.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.37607E-02 ppm1      0.830 ppm2      0.413 CV     1
 OR { 2060}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD23))
 OR { 2060}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD21))
 ASSI { 2063}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HG2 ))
      2.600     0.800     0.800 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.22586E-02 ppm1      0.831 ppm2      1.355 CV     1
 OR { 2063}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR { 2063}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI { 2064}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.38475E-02 ppm1      0.830 ppm2      1.505 CV     1
 OR { 2064}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 58   and name HB2 ))
 OR { 2064}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 58   and name HB2 ))
 ASSI { 2065}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 58   and name HG  ))
      2.100     0.600     0.600 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.81436E-02 ppm1      0.830 ppm2      1.422 CV     1
 OR { 2065}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 58   and name HG  ))
 OR { 2065}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 58   and name HG  ))
 ASSI { 2066}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HG3 ))
      3.300     1.400     1.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      0.830 ppm2      1.628 CV     1
 OR { 2066}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HG3 ))
 OR { 2066}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HG3 ))
 ASSI { 2067}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 58   and name HB3 ))
      2.500     0.800     0.800 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.43115E-02 ppm1      0.830 ppm2      1.921 CV     1
 OR { 2067}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 2067}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 58   and name HB3 ))
 ASSI { 2068}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HD2 ))
      3.500     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.10806E-02 ppm1      0.831 ppm2      3.252 CV     1
 OR { 2068}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR { 2068}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI { 2070}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1928  and name HB3 ))
      3.600     1.600     1.600 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.69147E-03 ppm1      0.833 ppm2      3.042 CV     1
 OR { 2070}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HB3 ))
 OR { 2070}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1928  and name HB3 ))
 ASSI { 2072}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.000     2.000     2.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.98279E-03 ppm1      0.900 ppm2      3.705 CV     1
 OR { 2072}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR { 2072}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI { 2073}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 58   and name HA  ))
      2.100     0.500     0.500 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.10131E-01 ppm1      0.901 ppm2      4.024 CV     1
 OR { 2073}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 58   and name HA  ))
 OR { 2073}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 58   and name HA  ))
 ASSI { 2074}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      0.902 ppm2      4.085 CV     1
 OR { 2074}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 55   and name HA  ))
 OR { 2074}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 55   and name HA  ))
 ASSI { 2075}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1921  and name HA  ))
      4.400     2.400     1.600 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.11763E-02 ppm1      0.900 ppm2      4.255 CV     1
 OR { 2075}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1921  and name HA  ))
 OR { 2075}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1921  and name HA  ))
 ASSI { 2076}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.400     2.400     1.600 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.72615E-03 ppm1      0.828 ppm2      3.700 CV     1
 OR { 2076}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR { 2076}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI { 2077}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.21355E-02 ppm1      0.831 ppm2      4.029 CV     1
 OR { 2077}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 58   and name HA  ))
 OR { 2077}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 58   and name HA  ))
 ASSI { 2078}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.16006E-02 ppm1      0.831 ppm2      4.066 CV     1
 OR { 2078}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 55   and name HA  ))
 OR { 2078}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 55   and name HA  ))
 ASSI { 2079}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "B   " and resid 78   and name HE% )
      3.400     1.400     1.400 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.29653E-02 ppm1      0.901 ppm2      6.893 CV     1
 OR { 2079}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "B   " and resid 78   and name HE% )
 OR { 2079}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 2080}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 78   and name HZ  ))
      4.300     2.300     1.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      0.901 ppm2      6.820 CV     1
 OR { 2080}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 2080}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 2081}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "B   " and resid 78   and name HD% )
      3.700     1.700     1.700 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.12990E-02 ppm1      0.898 ppm2      7.013 CV     1
 OR { 2081}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "B   " and resid 78   and name HD% )
 OR { 2081}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 2082}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
      2.400     0.700     0.700 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.49466E-02 ppm1      0.901 ppm2      7.289 CV     1
 OR { 2082}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR { 2082}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2082}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2082}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI { 2083}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
      2.900     1.100     1.100 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.28894E-02 ppm1      0.902 ppm2      7.204 CV     1
 OR { 2083}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR { 2083}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI { 2084}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
      3.100     1.200     1.200 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      0.831 ppm2      6.897 CV     1
 ASSI { 2085}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 78   and name HZ  ))
      3.600     1.600     1.600 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.72073E-03 ppm1      0.831 ppm2      6.817 CV     1
 ASSI { 2086}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "B   " and resid 78   and name HD% )
      3.700     1.800     1.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.52694E-03 ppm1      0.829 ppm2      7.011 CV     1
 ASSI { 2087}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
      2.600     0.900     0.900 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      0.830 ppm2      7.287 CV     1
 OR { 2087}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2087}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2087}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI { 2088}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
      2.900     2.900     3.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.28114E-02 ppm1      0.829 ppm2      7.199 CV     1
 ASSI { 2089}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 59   and name H   ))
      4.000     2.000     2.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.13797E-02 ppm1      0.902 ppm2      8.264 CV     1
 OR { 2089}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 59   and name H   ))
 OR { 2089}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 59   and name H   ))
 ASSI { 2090}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 58   and name H   ))
      3.300     1.300     1.300 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.40468E-02 ppm1      0.901 ppm2      7.998 CV     1
 OR { 2090}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 58   and name H   ))
 OR { 2090}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 58   and name H   ))
 ASSI { 2091}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 59   and name H   ))
      2.500     2.500     3.500 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      0.827 ppm2      8.267 CV     1
 OR { 2091}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 59   and name H   ))
 OR { 2091}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 59   and name H   ))
 ASSI { 2093}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 61   and name H   ))
      4.200     2.200     1.800 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.10615E-02 ppm1      0.902 ppm2      7.718 CV     1
 OR { 2093}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 61   and name H   ))
 OR { 2093}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 61   and name H   ))
 ASSI { 2094}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name H   ))
      4.400     2.400     1.600 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      1.461 ppm2      8.110 CV     1
 ASSI { 2095}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name H   ))
      4.500     2.600     1.500 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.88090E-03 ppm1      1.378 ppm2      8.096 CV     1
 ASSI { 2096}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 58   and name H   ))
      3.500     1.600     1.600 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      4.138 ppm2      8.335 CV     1
 ASSI { 2097}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 58   and name H   ))
      4.100     2.100     1.900 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1      1.876 ppm2      8.335 CV     1
 ASSI { 2100}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name H   ))
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.30151E-02 ppm1      4.137 ppm2      8.096 CV     1
 ASSI { 2101}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 59   and name H   ))
      4.100     2.100     1.900 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.43047E-03 ppm1      4.138 ppm2      7.940 CV     1
 ASSI { 2104}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HG3 ))
      3.600     1.600     1.600 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.12201E-02 ppm1      4.138 ppm2      1.465 CV     1
 ASSI { 2105}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.31604E-02 ppm1      4.138 ppm2      1.879 CV     1
 ASSI { 2106}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.900     1.000     1.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.29653E-02 ppm1      4.135 ppm2      1.911 CV     1
 ASSI { 2107}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 56   and name HB3 ))
      3.600     1.600     1.600 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.60672E-03 ppm1      4.137 ppm2      2.215 CV     1
 ASSI { 2108}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HE3 ))
      3.200     1.300     1.300 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.62990E-03 ppm1      4.141 ppm2      3.042 CV     1
 OR { 2108}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HE2 ))
 ASSI { 2110}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HE3 ))
      3.000     1.100     1.100 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      1.378 ppm2      3.039 CV     1
 OR { 2110}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HE2 ))
 ASSI { 2111}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HE2 ))
      2.800     1.000     1.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.34378E-02 ppm1      1.463 ppm2      3.039 CV     1
 OR { 2111}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HE3 ))
 ASSI { 2112}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 57   and name HG3 ))
      3.000     1.100     1.100 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.18815E-02 ppm1      1.867 ppm2      1.462 CV     1
 ASSI { 2113}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HG2 ))
      3.100     1.200     1.200 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      1.926 ppm2      1.378 CV     1
 ASSI { 2115}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 57   and name HG2 ))
      2.800     1.000     1.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.16441E-02 ppm1      1.867 ppm2      1.376 CV     1
 ASSI { 2116}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HG3 ))
      2.800     1.000     1.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.14694E-02 ppm1      1.927 ppm2      1.461 CV     1
 ASSI { 2117}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HG2 ))
      3.200     1.300     1.300 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      4.138 ppm2      1.377 CV     1
 ASSI { 2118}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HG3 ))
      2.500     0.800     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.44913E-02 ppm1      1.657 ppm2      1.464 CV     1
 ASSI { 2119}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HG2 ))
      2.800     1.000     1.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.23107E-02 ppm1      1.651 ppm2      1.380 CV     1
 ASSI { 2120}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HD3 ))
      1.600     0.300     0.600 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.14334E-01 ppm1      1.654 ppm2      1.776 CV     1
 ASSI { 2121}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HB3 ))
      3.500     1.500     1.500 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      1.654 ppm2      1.923 CV     1
 ASSI { 2123}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HB2 ))
      3.300     1.400     1.400 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.657 ppm2      1.880 CV     1
 ASSI { 2124}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HE3 ))
      2.400     0.700     0.700 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.52045E-02 ppm1      1.654 ppm2      3.038 CV     1
 OR { 2124}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HE2 ))
 ASSI { 2125}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HG2 ))
      2.600     0.800     0.800 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.30043E-02 ppm1      1.780 ppm2      1.376 CV     1
 ASSI { 2126}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HE2 ))
      2.500     0.800     0.800 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.35395E-02 ppm1      1.780 ppm2      3.043 CV     1
 OR { 2126}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HE3 ))
 ASSI { 2127}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.30888E-02 ppm1      1.780 ppm2      4.138 CV     1
 ASSI { 2128}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      1.653 ppm2      4.135 CV     1
 ASSI { 2130}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 60   and name H   ))
      3.100     1.200     1.200 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.13524E-02 ppm1      4.088 ppm2      8.037 CV     1
 ASSI { 2131}
   (( segid "B   " and resid 57   and name HB2 ))
   (( segid "B   " and resid 57   and name H   ))
      2.300     0.700     0.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.35376E-02 ppm1      1.952 ppm2      7.988 CV     1
 ASSI { 2132}
   (( segid "B   " and resid 57   and name HB3 ))
   (( segid "B   " and resid 57   and name H   ))
      3.300     1.300     1.300 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      1.907 ppm2      7.985 CV     1
 ASSI { 2133}
   (( segid "B   " and resid 57   and name HG2 ))
   (( segid "B   " and resid 57   and name H   ))
      3.600     1.600     1.600 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.24212E-02 ppm1      1.604 ppm2      7.985 CV     1
 ASSI { 2134}
   (( segid "B   " and resid 57   and name HG3 ))
   (( segid "B   " and resid 57   and name H   ))
      2.600     0.900     0.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.17130E-02 ppm1      1.481 ppm2      7.986 CV     1
 ASSI { 2135}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HG2 ))
      2.900     1.100     1.100 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.16953E-02 ppm1      4.091 ppm2      1.603 CV     1
 ASSI { 2136}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HG3 ))
      2.900     1.100     1.100 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.24537E-02 ppm1      4.090 ppm2      1.483 CV     1
 ASSI { 2137}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HD3 ))
      4.600     2.600     1.400 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.10014E-02 ppm1      4.092 ppm2      1.765 CV     1
 ASSI { 2138}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HD2 ))
      5.100     3.200     0.900 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.66807E-03 ppm1      4.092 ppm2      1.710 CV     1
 ASSI { 2139}
   (( segid "B   " and resid 57   and name HD2 ))
   (( segid "B   " and resid 57   and name H   ))
      4.000     2.000     2.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.70729E-03 ppm1      1.708 ppm2      7.984 CV     1
 ASSI { 2140}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "B   " and resid 57   and name H   ))
      4.400     2.400     1.600 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      1.765 ppm2      7.987 CV     1
 ASSI { 2141}
   (( segid "B   " and resid 57   and name HE2 ))
   (( segid "B   " and resid 57   and name H   ))
      3.800     1.800     1.800 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.23150E-02 ppm1      3.016 ppm2      7.984 CV     1
 ASSI { 2143}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name H   ))
      3.400     1.400     1.400 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      3.986 ppm2      8.099 CV     1
 ASSI { 2144}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name H   ))
      2.500     0.800     0.800 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.31755E-02 ppm1      2.251 ppm2      7.919 CV     1
 ASSI { 2145}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 56   and name H   ))
      2.700     0.900     0.900 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.30346E-02 ppm1      2.214 ppm2      7.921 CV     1
 ASSI { 2146}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 57   and name H   ))
      3.800     1.800     1.800 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.17282E-02 ppm1      2.256 ppm2      8.107 CV     1
 ASSI { 2149}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 57   and name H   ))
      3.500     1.600     1.600 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      2.512 ppm2      8.100 CV     1
 OR { 2149}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 57   and name H   ))
 ASSI { 2150}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 57   and name H   ))
      2.500     0.800     0.800 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.44587E-02 ppm1      2.514 ppm2      7.982 CV     1
 ASSI { 2151}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name H   ))
      3.700     1.700     1.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.39018E-02 ppm1      2.513 ppm2      7.922 CV     1
 OR { 2151}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name H   ))
 ASSI { 2152}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name H   ))
      2.300     0.700     0.700 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.57463E-02 ppm1      2.515 ppm2      8.368 CV     1
 OR { 2152}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name H   ))
 ASSI { 2155}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.35376E-02 ppm1      2.250 ppm2      3.983 CV     1
 ASSI { 2156}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.34010E-02 ppm1      2.210 ppm2      3.984 CV     1
 ASSI { 2157}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.18290E-02 ppm1      2.210 ppm2      4.241 CV     1
 ASSI { 2158}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.21958E-02 ppm1      2.251 ppm2      4.240 CV     1
 ASSI { 2159}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.95396E-02 ppm1      2.514 ppm2      4.018 CV     1
 OR { 2159}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HA  ))
 ASSI { 2161}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 57   and name HA  ))
      3.300     1.400     1.400 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.23107E-02 ppm1      2.514 ppm2      4.102 CV     1
 OR { 2161}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 57   and name HA  ))
 ASSI { 2163}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 53   and name HB3 ))
      3.500     1.500     1.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.28612E-02 ppm1      2.514 ppm2      1.519 CV     1
 OR { 2163}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 2163}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 53   and name HB2 ))
 OR { 2163}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 53   and name HB3 ))
 OR { 2163}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 2163}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 53   and name HB2 ))
 ASSI { 2166}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HG3 ))
      2.800     1.000     1.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.37956E-02 ppm1      3.988 ppm2      2.514 CV     1
 OR { 2166}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HG2 ))
 ASSI { 2168}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 57   and name H   ))
      3.200     1.300     1.300 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.40858E-02 ppm1      2.275 ppm2      7.983 CV     1
 OR { 2168}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 57   and name H   ))
 ASSI { 2170}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 57   and name H   ))
      3.100     1.200     1.200 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.18934E-02 ppm1      4.027 ppm2      7.981 CV     1
 ASSI { 2171}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 59   and name H   ))
      3.200     1.300     1.300 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      4.024 ppm2      8.262 CV     1
 ASSI { 2173}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 31   and name HD2 ))
      4.000     2.000     2.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.87809E-03 ppm1      2.273 ppm2      1.773 CV     1
 OR { 2173}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 31   and name HD3 ))
 OR { 2173}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 31   and name HD3 ))
 OR { 2173}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 31   and name HD2 ))
 ASSI { 2174}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 57   and name HB2 ))
      5.100     3.200     0.900 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.71898E-03 ppm1      2.268 ppm2      1.933 CV     1
 OR { 2174}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 57   and name HB2 ))
 ASSI { 2175}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 56   and name HB2 ))
      2.300     0.700     0.700 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.66177E-02 ppm1      4.029 ppm2      2.272 CV     1
 OR { 2175}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 56   and name HB3 ))
 ASSI { 2176}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 56   and name HG2 ))
      2.100     0.600     0.600 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.12472E-01 ppm1      2.274 ppm2      2.514 CV     1
 OR { 2176}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 56   and name HG3 ))
 OR { 2176}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 56   and name HG2 ))
 OR { 2176}
   (( segid "B   " and resid 56   and name HB3 ))
   (( segid "B   " and resid 56   and name HG3 ))
 ASSI { 2180}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 56   and name H   ))
      3.800     1.800     1.800 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.67129E-03 ppm1      4.250 ppm2      7.915 CV     1
 ASSI { 2181}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 58   and name H   ))
      3.500     1.600     1.600 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.78878E-03 ppm1      4.249 ppm2      8.333 CV     1
 ASSI { 2187}
   (( segid "B   " and resid 55   and name HA  ))
   (( segid "B   " and resid 55   and name H   ))
      2.500     0.800     0.800 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.32838E-02 ppm1      4.078 ppm2      7.986 CV     1
 ASSI { 2188}
   (( segid "B   " and resid 55   and name HB2 ))
   (( segid "B   " and resid 55   and name H   ))
      2.400     0.700     0.700 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.36048E-02 ppm1      3.080 ppm2      7.985 CV     1
 OR { 2188}
   (( segid "B   " and resid 55   and name HB3 ))
   (( segid "B   " and resid 55   and name H   ))
 ASSI { 2190}
   (( segid "B   " and resid 55   and name HA  ))
   (( segid "B   " and resid 55   and name HB2 ))
      2.600     0.900     0.900 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      4.079 ppm2      3.082 CV     1
 OR { 2190}
   (( segid "B   " and resid 55   and name HA  ))
   (( segid "B   " and resid 55   and name HB3 ))
 ASSI { 2192}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 55   and name H   ))
      2.600     0.900     0.900 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.50483E-02 ppm1      1.315 ppm2      7.779 CV     1
 OR { 2192}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 55   and name H   ))
 OR { 2192}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 55   and name H   ))
 ASSI { 2193}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 54   and name H   ))
      2.100     0.600     0.600 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.15689E-01 ppm1      1.315 ppm2      7.876 CV     1
 OR { 2193}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 54   and name H   ))
 OR { 2193}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 54   and name H   ))
 ASSI { 2195}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name H   ))
      3.300     1.400     1.400 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      4.095 ppm2      8.106 CV     1
 ASSI { 2198}
   (( segid "A   " and resid 54   and name HB3 ))
   (  segid "A   " and resid 55   and name HD% )
      3.000     1.100     1.100 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.33555E-02 ppm1      1.316 ppm2      7.218 CV     1
 OR { 2198}
   (( segid "A   " and resid 54   and name HB2 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 2198}
   (( segid "A   " and resid 54   and name HB1 ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2199}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HE21))
      3.500     1.500     1.500 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.10775E-02 ppm1      1.315 ppm2      7.106 CV     1
 OR { 2199}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HE21))
 OR { 2199}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HE21))
 ASSI { 2200}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HE22))
      3.800     1.800     1.800 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.96003E-03 ppm1      1.315 ppm2      6.487 CV     1
 OR { 2200}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HE22))
 OR { 2200}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HE22))
 ASSI { 2201}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 51   and name H   ))
      3.000     1.100     1.100 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.39819E-02 ppm1      1.314 ppm2      8.237 CV     1
 OR { 2201}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 51   and name H   ))
 OR { 2201}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 51   and name H   ))
 ASSI { 2202}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 53   and name H   ))
      3.500     1.500     1.500 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.31213E-02 ppm1      1.316 ppm2      8.332 CV     1
 OR { 2202}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 53   and name H   ))
 OR { 2202}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 53   and name H   ))
 ASSI { 2203}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.26596E-02 ppm1      1.315 ppm2      4.433 CV     1
 OR { 2203}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 50   and name HA  ))
 OR { 2203}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 50   and name HA  ))
 ASSI { 2204}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HD2 ))
      3.600     1.600     1.600 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.30455E-02 ppm1      1.322 ppm2      3.240 CV     1
 OR { 2204}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR { 2204}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI { 2205}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 51   and name HB3 ))
      4.000     2.000     2.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.18834E-02 ppm1      1.320 ppm2      2.853 CV     1
 OR { 2205}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 51   and name HB3 ))
 OR { 2205}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 51   and name HB3 ))
 ASSI { 2206}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.600     2.600     3.400 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.94008E-03 ppm1      1.315 ppm2      2.947 CV     1
 OR { 2206}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 51   and name HB2 ))
 OR { 2206}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 2207}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HG2 ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      1.315 ppm2      2.226 CV     1
 OR { 2207}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HG2 ))
 OR { 2207}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI { 2208}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HG3 ))
      3.300     1.300     1.300 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      1.317 ppm2      2.151 CV     1
 OR { 2208}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HG3 ))
 OR { 2208}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HG3 ))
 ASSI { 2209}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HB3 ))
      2.300     2.300     3.700 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.46344E-02 ppm1      1.315 ppm2      2.067 CV     1
 OR { 2209}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HB3 ))
 ASSI { 2211}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 46   and name HB3 ))
      3.000     3.000     3.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.25123E-02 ppm1      1.314 ppm2      1.805 CV     1
 OR { 2211}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2211}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI { 2215}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 54   and name HB1 ))
      2.300     0.700     0.700 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.90108E-02 ppm1      4.095 ppm2      1.315 CV     1
 OR { 2215}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 54   and name HB2 ))
 OR { 2215}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 54   and name HB3 ))
 ASSI { 2216}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.75821E-03 ppm1      4.098 ppm2      1.513 CV     1
 OR { 2216}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name HB3 ))
 OR { 2216}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name HB1 ))
 ASSI { 2220}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HB2 ))
      3.800     1.800     1.800 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.74804E-03 ppm1      4.097 ppm2      1.856 CV     1
 ASSI { 2221}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 55   and name HB2 ))
      4.500     2.500     1.500 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.72528E-03 ppm1      1.314 ppm2      3.169 CV     1
 OR { 2221}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 55   and name HB2 ))
 OR { 2221}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 55   and name HB2 ))
 ASSI { 2222}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 54   and name HB3 ))
      2.300     0.700     0.700 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.74891E-02 ppm1      4.127 ppm2      1.324 CV     1
 OR { 2222}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 54   and name HB1 ))
 OR { 2222}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 54   and name HB2 ))
 ASSI { 2225}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "C   " and resid 1927  and name HB2 ))
      3.600     1.600     1.600 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.25404E-02 ppm1      4.125 ppm2      1.902 CV     1
 OR { 2225}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI { 2226}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 54   and name H   ))
      2.500     0.800     0.800 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.52501E-02 ppm1      4.128 ppm2      7.995 CV     1
 ASSI { 2228}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 56   and name H   ))
      4.100     2.100     1.900 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.51241E-03 ppm1      4.127 ppm2      8.362 CV     1
 ASSI { 2229}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 55   and name H   ))
      2.000     0.500     0.500 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.22370E-01 ppm1      1.325 ppm2      7.993 CV     1
 OR { 2229}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 55   and name H   ))
 OR { 2229}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 55   and name H   ))
 ASSI { 2231}
   (( segid "B   " and resid 54   and name HB2 ))
   (  segid "C   " and resid 1928  and name HD% )
      4.200     2.200     1.800 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.17120E-02 ppm1      1.324 ppm2      7.299 CV     1
 OR { 2231}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2231}
   (( segid "B   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2231}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI { 2232}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.40164E-02 ppm1      1.321 ppm2      4.238 CV     1
 OR { 2232}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 50   and name HA  ))
 OR { 2232}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 50   and name HA  ))
 ASSI { 2234}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HA  ))
      3.700     1.700     1.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.11761E-02 ppm1      1.326 ppm2      4.623 CV     1
 OR { 2234}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HA  ))
 OR { 2234}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HA  ))
 ASSI { 2235}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      1.324 ppm2      3.086 CV     1
 OR { 2235}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 55   and name HB2 ))
 OR { 2235}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 55   and name HB2 ))
 OR { 2235}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 55   and name HB3 ))
 OR { 2235}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 55   and name HB3 ))
 ASSI { 2236}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 51   and name HB2 ))
      3.000     1.100     1.100 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.21598E-02 ppm1      1.323 ppm2      3.040 CV     1
 OR { 2236}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 51   and name HB2 ))
 OR { 2236}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 51   and name HB2 ))
 ASSI { 2237}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      3.200     1.200     1.200 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.19836E-02 ppm1      1.326 ppm2      3.702 CV     1
 OR { 2237}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR { 2237}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI { 2238}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HB3 ))
      2.300     0.700     0.700 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.38324E-02 ppm1      1.325 ppm2      1.885 CV     1
 OR { 2238}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR { 2238}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI { 2240}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HG3 ))
      3.000     1.100     1.100 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.24255E-02 ppm1      1.324 ppm2      1.609 CV     1
 OR { 2240}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HG3 ))
 OR { 2240}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HG3 ))
 ASSI { 2241}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 50   and name HG21))
      3.800     1.800     1.800 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.36048E-02 ppm1      1.325 ppm2      1.030 CV     1
 OR { 2241}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 50   and name HG22))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 50   and name HG22))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 50   and name HG23))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 50   and name HG22))
 OR { 2241}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 50   and name HG23))
 ASSI { 2244}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 53   and name HB3 ))
      2.000     0.500     0.500 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.22651E-01 ppm1      4.238 ppm2      1.522 CV     1
 OR { 2244}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR { 2244}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 53   and name HB2 ))
 ASSI { 2245}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.13086E-02 ppm1      4.238 ppm2      2.176 CV     1
 ASSI { 2246}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 56   and name HG3 ))
      3.900     1.900     1.900 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.29154E-02 ppm1      4.238 ppm2      2.515 CV     1
 OR { 2246}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 56   and name HG2 ))
 ASSI { 2247}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 51   and name HB2 ))
      3.600     1.600     1.600 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.10019E-02 ppm1      1.514 ppm2      2.956 CV     1
 OR { 2247}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 51   and name HB2 ))
 OR { 2247}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 2248}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 51   and name HB3 ))
      3.900     1.900     1.900 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.10127E-02 ppm1      1.520 ppm2      2.864 CV     1
 OR { 2248}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 51   and name HB3 ))
 ASSI { 2249}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 52   and name HG2 ))
      3.900     1.900     1.900 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.14057E-02 ppm1      1.515 ppm2      2.419 CV     1
 OR { 2249}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 52   and name HG2 ))
 OR { 2249}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 52   and name HG2 ))
 ASSI { 2250}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 54   and name H   ))
      2.300     0.700     0.700 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.10417E-01 ppm1      1.515 ppm2      7.878 CV     1
 OR { 2250}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 54   and name H   ))
 OR { 2250}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 54   and name H   ))
 ASSI { 2251}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 53   and name H   ))
      2.100     0.500     0.500 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.20549E-01 ppm1      1.513 ppm2      8.330 CV     1
 OR { 2251}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 53   and name H   ))
 OR { 2251}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 53   and name H   ))
 ASSI { 2252}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 55   and name H   ))
      4.100     2.100     1.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.11321E-02 ppm1      1.511 ppm2      7.781 CV     1
 OR { 2252}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 55   and name H   ))
 OR { 2252}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 55   and name H   ))
 ASSI { 2254}
   (( segid "A   " and resid 53   and name HB2 ))
   (  segid "A   " and resid 55   and name HD% )
      4.900     3.000     1.100 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.57657E-03 ppm1      1.515 ppm2      7.212 CV     1
 OR { 2254}
   (( segid "A   " and resid 53   and name HB1 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 2254}
   (( segid "A   " and resid 53   and name HB3 ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2255}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 56   and name HE22))
      4.700     2.800     1.300 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.57201E-03 ppm1      1.516 ppm2      6.939 CV     1
 OR { 2255}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 56   and name HE22))
 OR { 2255}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 56   and name HE22))
 ASSI { 2256}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 54   and name H   ))
      3.300     1.400     1.400 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.18314E-02 ppm1      4.241 ppm2      7.882 CV     1
 ASSI { 2257}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 55   and name H   ))
      4.000     2.000     2.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.62839E-03 ppm1      4.242 ppm2      7.779 CV     1
 ASSI { 2259}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 52   and name H   ))
      4.300     2.300     1.700 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.11248E-02 ppm1      1.515 ppm2      8.789 CV     1
 OR { 2259}
   (( segid "A   " and resid 53   and name HB2 ))
   (( segid "A   " and resid 52   and name H   ))
 OR { 2259}
   (( segid "A   " and resid 53   and name HB3 ))
   (( segid "A   " and resid 52   and name H   ))
 ASSI { 2260}
   (( segid "B   " and resid 53   and name HA  ))
   (( segid "B   " and resid 56   and name HB3 ))
      2.800     1.000     1.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.52804E-02 ppm1      4.238 ppm2      2.270 CV     1
 OR { 2260}
   (( segid "B   " and resid 53   and name HA  ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 2261}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 56   and name HB3 ))
      3.600     1.700     1.700 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.40012E-02 ppm1      1.531 ppm2      2.273 CV     1
 OR { 2261}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 56   and name HB3 ))
 OR { 2261}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 56   and name HB3 ))
 OR { 2261}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 56   and name HB2 ))
 OR { 2261}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 2262}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 52   and name HB3 ))
      3.500     1.500     1.500 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.28027E-02 ppm1      1.527 ppm2      2.148 CV     1
 OR { 2262}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 52   and name HB3 ))
 OR { 2262}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 52   and name HB3 ))
 ASSI { 2263}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 57   and name HE2 ))
      3.100     1.200     1.200 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.28244E-02 ppm1      1.532 ppm2      3.023 CV     1
 OR { 2263}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 57   and name HE2 ))
 OR { 2263}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 57   and name HE2 ))
 OR { 2263}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 57   and name HE3 ))
 OR { 2263}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 57   and name HE3 ))
 ASSI { 2264}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 54   and name HA  ))
      3.400     1.500     1.500 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.17618E-02 ppm1      1.529 ppm2      4.122 CV     1
 OR { 2264}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 54   and name HA  ))
 OR { 2264}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 54   and name HA  ))
 ASSI { 2265}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 54   and name H   ))
      2.500     0.800     0.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.12564E-01 ppm1      1.532 ppm2      7.999 CV     1
 OR { 2265}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 54   and name H   ))
 OR { 2265}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 54   and name H   ))
 ASSI { 2266}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 56   and name H   ))
      3.600     1.600     1.600 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.35592E-02 ppm1      1.538 ppm2      8.388 CV     1
 OR { 2266}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 56   and name H   ))
 OR { 2266}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 56   and name H   ))
 ASSI { 2267}
   (( segid "B   " and resid 53   and name HB2 ))
   (( segid "B   " and resid 52   and name H   ))
      4.400     2.400     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11896E-02 ppm1      1.530 ppm2      8.631 CV     1
 OR { 2267}
   (( segid "B   " and resid 53   and name HB3 ))
   (( segid "B   " and resid 52   and name H   ))
 OR { 2267}
   (( segid "B   " and resid 53   and name HB1 ))
   (( segid "B   " and resid 52   and name H   ))
 ASSI { 2268}
   (( segid "B   " and resid 53   and name HA  ))
   (( segid "B   " and resid 54   and name H   ))
      2.900     1.100     1.100 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.25881E-02 ppm1      4.238 ppm2      7.994 CV     1
 ASSI { 2273}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 53   and name H   ))
      2.800     1.000     1.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.37588E-02 ppm1      2.170 ppm2      8.339 CV     1
 ASSI { 2276}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 55   and name H   ))
      3.800     1.800     1.800 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      4.174 ppm2      7.776 CV     1
 ASSI { 2277}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 53   and name H   ))
      4.100     2.100     1.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.18754E-02 ppm1      2.417 ppm2      8.332 CV     1
 OR { 2277}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 53   and name H   ))
 ASSI { 2278}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 52   and name H   ))
      2.600     0.800     0.800 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.40600E-02 ppm1      2.418 ppm2      8.786 CV     1
 OR { 2278}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 52   and name H   ))
 ASSI { 2279}
   (( segid "A   " and resid 52   and name HG2 ))
   (  segid "A   " and resid 55   and name HD% )
      4.200     2.200     1.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      2.415 ppm2      7.229 CV     1
 OR { 2279}
   (( segid "A   " and resid 52   and name HG3 ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2280}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 52   and name HA  ))
      3.000     1.200     1.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.37197E-02 ppm1      2.166 ppm2      4.174 CV     1
 ASSI { 2281}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.40619E-02 ppm1      2.130 ppm2      4.175 CV     1
 ASSI { 2282}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.58806E-02 ppm1      2.418 ppm2      4.174 CV     1
 OR { 2282}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 52   and name HA  ))
 ASSI { 2285}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 53   and name HB1 ))
      4.600     2.600     1.400 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.74003E-03 ppm1      4.175 ppm2      1.513 CV     1
 OR { 2285}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 53   and name HB2 ))
 OR { 2285}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 53   and name HB3 ))
 ASSI { 2286}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.800     1.000     1.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.12208E-02 ppm1      4.175 ppm2      3.170 CV     1
 ASSI { 2289}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 55   and name HB3 ))
      4.300     2.300     1.700 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      2.418 ppm2      3.043 CV     1
 OR { 2289}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI { 2290}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 53   and name HB1 ))
      4.500     2.500     1.500 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.13940E-02 ppm1      2.419 ppm2      1.512 CV     1
 OR { 2290}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 53   and name HB2 ))
 OR { 2290}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 53   and name HB3 ))
 OR { 2290}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR { 2290}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 53   and name HB2 ))
 ASSI { 2291}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 35   and name HD3 ))
      3.000     1.100     1.100 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.19226E-02 ppm1      2.417 ppm2      1.384 CV     1
 OR { 2291}
   (( segid "A   " and resid 52   and name HG2 ))
   (( segid "A   " and resid 35   and name HD2 ))
 OR { 2291}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 35   and name HD3 ))
 OR { 2291}
   (( segid "A   " and resid 52   and name HG3 ))
   (( segid "A   " and resid 35   and name HD2 ))
 ASSI { 2296}
   (( segid "B   " and resid 52   and name HA  ))
   (( segid "B   " and resid 55   and name H   ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.18958E-02 ppm1      4.279 ppm2      7.985 CV     1
 ASSI { 2297}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 88   and name H   ))
      3.500     1.500     1.500 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.68692E-03 ppm1      4.276 ppm2      7.705 CV     1
 ASSI { 2298}
   (( segid "B   " and resid 52   and name HA  ))
   (  segid "B   " and resid 55   and name HD% )
      3.600     1.600     1.600 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.16985E-02 ppm1      4.280 ppm2      7.167 CV     1
 ASSI { 2299}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 52   and name H   ))
      3.100     1.200     1.200 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.29068E-02 ppm1      2.135 ppm2      8.634 CV     1
 ASSI { 2300}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 52   and name H   ))
      2.600     0.800     0.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.26228E-02 ppm1      2.176 ppm2      8.632 CV     1
 ASSI { 2301}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 53   and name H   ))
      2.800     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.31929E-02 ppm1      2.172 ppm2      8.342 CV     1
 ASSI { 2302}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 53   and name H   ))
      3.700     1.700     1.700 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.20343E-02 ppm1      2.457 ppm2      8.351 CV     1
 OR { 2302}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 53   and name H   ))
 ASSI { 2303}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 52   and name H   ))
      3.000     1.200     1.200 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.42963E-02 ppm1      2.456 ppm2      8.634 CV     1
 OR { 2303}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 52   and name H   ))
 ASSI { 2304}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 55   and name H   ))
      4.300     2.300     1.700 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.95157E-03 ppm1      2.453 ppm2      7.984 CV     1
 OR { 2304}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 55   and name H   ))
 ASSI { 2305}
   (( segid "B   " and resid 52   and name HA  ))
   (( segid "B   " and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.24927E-02 ppm1      4.280 ppm2      3.084 CV     1
 OR { 2305}
   (( segid "B   " and resid 52   and name HA  ))
   (( segid "B   " and resid 55   and name HB3 ))
 ASSI { 2307}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.45843E-02 ppm1      2.136 ppm2      4.277 CV     1
 ASSI { 2308}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.38388E-02 ppm1      2.183 ppm2      4.284 CV     1
 ASSI { 2309}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.60301E-02 ppm1      2.455 ppm2      4.277 CV     1
 OR { 2309}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 52   and name HA  ))
 ASSI { 2310}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 51   and name HB2 ))
      4.600     2.700     1.400 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      2.455 ppm2      3.055 CV     1
 OR { 2310}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 51   and name HB2 ))
 ASSI { 2311}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      2.458 ppm2      1.528 CV     1
 OR { 2311}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 53   and name HB2 ))
 OR { 2311}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 53   and name HB3 ))
 OR { 2311}
   (( segid "B   " and resid 52   and name HG2 ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 2311}
   (( segid "B   " and resid 52   and name HG3 ))
   (( segid "B   " and resid 53   and name HB1 ))
 ASSI { 2316}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 53   and name H   ))
      3.800     1.800     1.800 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      2.849 ppm2      8.338 CV     1
 ASSI { 2319}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 51   and name HB3 ))
      1.800     0.400     0.400 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.10361E-01 ppm1      2.957 ppm2      2.850 CV     1
 ASSI { 2321}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 52   and name HB2 ))
      5.400     3.600     0.600 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.63032E-03 ppm1      2.961 ppm2      2.146 CV     1
 OR { 2321}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI { 2325}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 51   and name H   ))
      3.600     1.600     1.600 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.18130E-02 ppm1      2.860 ppm2      7.970 CV     1
 ASSI { 2328}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 51   and name HA  ))
      2.600     0.800     0.800 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.42724E-02 ppm1      2.857 ppm2      4.783 CV     1
 ASSI { 2331}
   (( segid "A   " and resid 50   and name HB  ))
   (( segid "A   " and resid 39   and name HG21))
      3.700     1.700     1.700 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      4.485 ppm2      1.352 CV     1
 OR { 2331}
   (( segid "A   " and resid 50   and name HB  ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2331}
   (( segid "A   " and resid 50   and name HB  ))
   (( segid "A   " and resid 39   and name HG23))
 ASSI { 2333}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 46   and name HB3 ))
      2.800     1.000     1.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.32081E-02 ppm1      1.171 ppm2      1.819 CV     1
 OR { 2333}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2333}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2333}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2333}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI { 2334}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 46   and name HG  ))
      3.700     1.700     1.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.17506E-02 ppm1      1.171 ppm2      1.954 CV     1
 OR { 2334}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 46   and name HG  ))
 OR { 2334}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 46   and name HG  ))
 ASSI { 2335}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 50   and name HB  ))
      1.800     0.400     0.400 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.22890E-01 ppm1      1.171 ppm2      4.478 CV     1
 OR { 2335}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2335}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 50   and name HB  ))
 ASSI { 2336}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.13573E-01 ppm1      1.169 ppm2      4.426 CV     1
 OR { 2336}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 50   and name HA  ))
 OR { 2336}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 50   and name HA  ))
 ASSI { 2337}
   (( segid "A   " and resid 50   and name HA  ))
   (  segid "A   " and resid 55   and name HD% )
      2.900     1.100     1.100 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.35202E-02 ppm1      4.427 ppm2      7.220 CV     1
 ASSI { 2339}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 51   and name H   ))
      2.300     0.600     0.600 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.54428E-02 ppm1      4.427 ppm2      8.236 CV     1
 ASSI { 2340}
   (( segid "A   " and resid 50   and name HB  ))
   (  segid "A   " and resid 55   and name HD% )
      3.000     1.100     1.100 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.16313E-02 ppm1      4.482 ppm2      7.218 CV     1
 ASSI { 2343}
   (( segid "A   " and resid 50   and name HB  ))
   (( segid "A   " and resid 51   and name H   ))
      3.800     1.800     1.800 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.91777E-03 ppm1      4.483 ppm2      8.242 CV     1
 ASSI { 2344}
   (( segid "A   " and resid 50   and name HG21))
   (  segid "A   " and resid 55   and name HD% )
      2.800     1.000     1.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.60259E-02 ppm1      1.171 ppm2      7.218 CV     1
 OR { 2344}
   (( segid "A   " and resid 50   and name HG23))
   (  segid "A   " and resid 55   and name HD% )
 OR { 2344}
   (( segid "A   " and resid 50   and name HG22))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2345}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "C   " and resid 1897  and name HE22))
      3.600     1.600     1.600 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      1.171 ppm2      6.483 CV     1
 OR { 2345}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "C   " and resid 1897  and name HE22))
 OR { 2345}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "C   " and resid 1897  and name HE22))
 ASSI { 2346}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 50   and name H   ))
      3.200     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.31582E-02 ppm1      1.171 ppm2      8.291 CV     1
 OR { 2346}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 50   and name H   ))
 OR { 2346}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 50   and name H   ))
 ASSI { 2347}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 51   and name H   ))
      3.800     1.800     1.800 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.33274E-02 ppm1      1.172 ppm2      8.242 CV     1
 OR { 2347}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 51   and name H   ))
 OR { 2347}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 51   and name H   ))
 ASSI { 2350}
   (( segid "B   " and resid 50   and name HA  ))
   (  segid "B   " and resid 55   and name HE% )
      3.900     1.900     1.900 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.15574E-02 ppm1      4.230 ppm2      7.261 CV     1
 ASSI { 2351}
   (( segid "B   " and resid 50   and name HB  ))
   (  segid "B   " and resid 55   and name HE% )
      2.600     0.900     0.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.16175E-02 ppm1      4.353 ppm2      7.253 CV     1
 ASSI { 2353}
   (( segid "B   " and resid 50   and name HG22))
   (  segid "B   " and resid 55   and name HE% )
      2.500     0.800     0.800 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.42182E-02 ppm1      1.029 ppm2      7.248 CV     1
 OR { 2353}
   (( segid "B   " and resid 50   and name HG23))
   (  segid "B   " and resid 55   and name HE% )
 OR { 2353}
   (( segid "B   " and resid 50   and name HG21))
   (  segid "B   " and resid 55   and name HE% )
 ASSI { 2354}
   (( segid "B   " and resid 50   and name HG22))
   (  segid "B   " and resid 55   and name HD% )
      3.900     1.900     1.900 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.13964E-02 ppm1      1.029 ppm2      7.180 CV     1
 OR { 2354}
   (( segid "B   " and resid 50   and name HG21))
   (  segid "B   " and resid 55   and name HD% )
 OR { 2354}
   (( segid "B   " and resid 50   and name HG23))
   (  segid "B   " and resid 55   and name HD% )
 ASSI { 2355}
   (( segid "B   " and resid 50   and name HG22))
   (  segid "C   " and resid 1928  and name HD% )
      3.100     1.200     1.200 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.23193E-02 ppm1      1.030 ppm2      7.299 CV     1
 OR { 2355}
   (( segid "B   " and resid 50   and name HG21))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2355}
   (( segid "B   " and resid 50   and name HG23))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI { 2356}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 80   and name H   ))
      3.600     1.700     1.700 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.15672E-02 ppm1      1.027 ppm2      8.248 CV     1
 OR { 2356}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 80   and name H   ))
 OR { 2356}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 80   and name H   ))
 ASSI { 2358}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 50   and name HB  ))
      1.800     0.400     0.400 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.18136E-01 ppm1      1.030 ppm2      4.352 CV     1
 OR { 2358}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 50   and name HB  ))
 OR { 2358}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 50   and name HB  ))
 ASSI { 2359}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.12071E-01 ppm1      1.029 ppm2      4.233 CV     1
 OR { 2359}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 50   and name HA  ))
 OR { 2359}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 50   and name HA  ))
 ASSI { 2360}
   (( segid "B   " and resid 50   and name HA  ))
   (( segid "B   " and resid 50   and name HB  ))
      2.000     0.500     0.500 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.55058E-02 ppm1      4.229 ppm2      4.352 CV     1
 ASSI { 2363}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HB3 ))
      2.900     1.100     1.100 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      1.030 ppm2      1.898 CV     1
 OR { 2363}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR { 2363}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR { 2363}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR { 2363}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "C   " and resid 1927  and name HB2 ))
 ASSI { 2370}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name H   ))
      2.600     0.800     0.800 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.46625E-02 ppm1      4.540 ppm2      8.258 CV     1
 ASSI { 2375}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name H   ))
      5.100     3.200     0.900 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.66371E-03 ppm1      3.316 ppm2      8.251 CV     1
 ASSI { 2376}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name H   ))
      5.300     3.500     0.700 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.61647E-03 ppm1      3.230 ppm2      8.256 CV     1
 ASSI { 2378}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.16523E-02 ppm1      1.830 ppm2      4.545 CV     1
 ASSI { 2379}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HD2 ))
      4.900     3.100     1.100 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      4.547 ppm2      3.320 CV     1
 ASSI { 2380}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HD2 ))
      3.900     1.900     1.900 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.94160E-03 ppm1      1.974 ppm2      3.319 CV     1
 ASSI { 2381}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HD3 ))
      3.200     1.300     1.300 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.99341E-03 ppm1      1.972 ppm2      3.234 CV     1
 ASSI { 2383}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HD2 ))
      2.500     0.800     0.800 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      1.783 ppm2      3.319 CV     1
 ASSI { 2384}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HD3 ))
      2.900     1.100     1.100 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      1.784 ppm2      3.232 CV     1
 ASSI { 2385}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.16376E-02 ppm1      1.783 ppm2      4.544 CV     1
 ASSI { 2386}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.32145E-02 ppm1      1.653 ppm2      4.537 CV     1
 ASSI { 2387}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.41294E-02 ppm1      4.543 ppm2      1.974 CV     1
 ASSI { 2389}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 54   and name HB2 ))
      4.500     2.500     1.500 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.70316E-03 ppm1      4.546 ppm2      1.309 CV     1
 OR { 2389}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 54   and name HB3 ))
 OR { 2389}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI { 2390}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 50   and name HG22))
      4.200     2.200     1.800 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      4.549 ppm2      1.167 CV     1
 OR { 2390}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 50   and name HG23))
 OR { 2390}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 50   and name HG21))
 ASSI { 2391}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 54   and name HB2 ))
      3.400     3.400     2.600 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.19606E-02 ppm1      1.978 ppm2      1.314 CV     1
 OR { 2391}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 54   and name HB3 ))
 OR { 2391}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI { 2393}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HG3 ))
      2.500     0.800     0.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.32470E-02 ppm1      1.973 ppm2      1.651 CV     1
 ASSI { 2394}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 54   and name HB2 ))
      4.100     2.100     1.900 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.98063E-03 ppm1      1.779 ppm2      1.314 CV     1
 OR { 2394}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 54   and name HB1 ))
 OR { 2394}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 54   and name HB3 ))
 ASSI { 2396}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 54   and name HB2 ))
      2.700     2.700     3.300 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.89000E-03 ppm1      3.315 ppm2      1.311 CV     1
 OR { 2396}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 54   and name HB1 ))
 OR { 2396}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 54   and name HB3 ))
 ASSI { 2398}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 54   and name HB2 ))
      2.500     2.500     3.500 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.13105E-02 ppm1      3.237 ppm2      1.309 CV     1
 OR { 2398}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 54   and name HB1 ))
 OR { 2398}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 54   and name HB3 ))
 ASSI { 2399}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 50   and name HG23))
      3.900     1.900     1.900 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.90347E-03 ppm1      4.517 ppm2      1.035 CV     1
 OR { 2399}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2399}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 50   and name HG22))
 ASSI { 2400}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.45801E-02 ppm1      4.517 ppm2      1.883 CV     1
 ASSI { 2401}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HB3 ))
      2.900     1.000     1.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.35938E-02 ppm1      4.517 ppm2      1.756 CV     1
 ASSI { 2402}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HG3 ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.17733E-02 ppm1      4.519 ppm2      1.659 CV     1
 ASSI { 2403}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HG2 ))
      3.600     1.600     1.600 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      4.518 ppm2      1.584 CV     1
 ASSI { 2405}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HD3 ))
      2.400     0.700     0.700 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      4.517 ppm2      3.236 CV     1
 ASSI { 2407}
   (( segid "B   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 49   and name HG3 ))
      3.200     1.200     1.200 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.30477E-02 ppm1      1.884 ppm2      1.658 CV     1
 ASSI { 2408}
   (( segid "B   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 49   and name HG2 ))
      2.500     0.800     0.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.35634E-02 ppm1      1.884 ppm2      1.583 CV     1
 ASSI { 2409}
   (( segid "B   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 49   and name HB3 ))
      1.600     0.300     0.600 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.15986E-01 ppm1      1.886 ppm2      1.756 CV     1
 ASSI { 2415}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.52413E-02 ppm1      3.237 ppm2      1.889 CV     1
 OR { 2415}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI { 2416}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 46   and name HB2 ))
      3.000     1.100     1.100 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.44913E-02 ppm1      3.231 ppm2      1.845 CV     1
 OR { 2416}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 46   and name HB2 ))
 ASSI { 2417}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name HB3 ))
      3.200     1.300     1.300 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.54841E-02 ppm1      3.238 ppm2      1.761 CV     1
 OR { 2417}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name HB3 ))
 ASSI { 2418}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name HG3 ))
      2.000     0.500     0.500 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.12219E-01 ppm1      3.238 ppm2      1.661 CV     1
 OR { 2418}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name HG3 ))
 ASSI { 2419}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name HG2 ))
      2.300     0.700     0.700 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.93617E-02 ppm1      3.239 ppm2      1.586 CV     1
 OR { 2419}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name HG2 ))
 ASSI { 2423}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.39254E-02 ppm1      3.238 ppm2      4.519 CV     1
 OR { 2423}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name HA  ))
 ASSI { 2427}
   (( segid "B   " and resid 49   and name HB3 ))
   (( segid "B   " and resid 49   and name H   ))
      3.300     1.400     1.400 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      1.754 ppm2      8.213 CV     1
 ASSI { 2430}
   (( segid "B   " and resid 49   and name HG3 ))
   (( segid "B   " and resid 50   and name H   ))
      3.000     1.100     1.100 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.53020E-03 ppm1      1.652 ppm2      7.995 CV     1
 ASSI { 2432}
   (( segid "B   " and resid 49   and name HG2 ))
   (( segid "B   " and resid 49   and name H   ))
      4.800     2.900     1.200 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.91602E-03 ppm1      1.582 ppm2      8.214 CV     1
 ASSI { 2433}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 50   and name H   ))
      3.400     1.400     1.400 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.96914E-03 ppm1      3.239 ppm2      7.992 CV     1
 OR { 2433}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 50   and name H   ))
 ASSI { 2434}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 49   and name H   ))
      4.500     2.600     1.500 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.91602E-03 ppm1      3.240 ppm2      8.224 CV     1
 OR { 2434}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 49   and name H   ))
 ASSI { 2436}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 49   and name H   ))
      2.900     1.100     1.100 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.25404E-02 ppm1      4.262 ppm2      8.253 CV     1
 ASSI { 2439}
   (( segid "A   " and resid 48   and name HB3 ))
   (( segid "A   " and resid 49   and name H   ))
      3.000     1.100     1.100 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      1.857 ppm2      8.254 CV     1
 ASSI { 2440}
   (( segid "A   " and resid 48   and name HB2 ))
   (( segid "A   " and resid 49   and name H   ))
      3.400     1.500     1.500 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      1.964 ppm2      8.256 CV     1
 ASSI { 2441}
   (( segid "A   " and resid 48   and name HG3 ))
   (( segid "A   " and resid 49   and name H   ))
      3.400     1.400     1.400 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.22976E-02 ppm1      1.559 ppm2      8.253 CV     1
 OR { 2441}
   (( segid "A   " and resid 48   and name HG2 ))
   (( segid "A   " and resid 49   and name H   ))
 ASSI { 2443}
   (( segid "A   " and resid 48   and name HD3 ))
   (( segid "A   " and resid 49   and name H   ))
      3.700     1.700     1.700 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.11267E-02 ppm1      1.779 ppm2      8.257 CV     1
 ASSI { 2446}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HG3 ))
      3.000     1.100     1.100 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.35311E-02 ppm1      4.262 ppm2      1.537 CV     1
 OR { 2446}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HG2 ))
 ASSI { 2447}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HB2 ))
      2.400     0.700     0.700 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.72266E-02 ppm1      4.260 ppm2      1.961 CV     1
 ASSI { 2448}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HB3 ))
      2.600     0.800     0.800 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.54602E-02 ppm1      4.260 ppm2      1.855 CV     1
 ASSI { 2449}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HD3 ))
      2.600     0.800     0.800 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.26184E-02 ppm1      4.260 ppm2      1.761 CV     1
 ASSI { 2450}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.72311E-02 ppm1      4.289 ppm2      1.936 CV     1
 ASSI { 2451}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HB3 ))
      2.600     0.800     0.800 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.60172E-02 ppm1      4.289 ppm2      1.814 CV     1
 ASSI { 2453}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HB3 ))
      2.900     1.100     1.100 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.12678E-02 ppm1      4.295 ppm2      1.621 CV     1
 ASSI { 2454}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HG3 ))
      2.700     0.900     0.900 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.46689E-02 ppm1      4.290 ppm2      1.514 CV     1
 ASSI { 2457}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HD21))
      2.500     0.800     0.800 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      4.290 ppm2      1.092 CV     1
 OR { 2457}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HD22))
 OR { 2457}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 2457}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HD13))
 ASSI { 2459}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      4.291 ppm2      2.126 CV     1
 ASSI { 2462}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HD2 ))
      3.600     1.600     1.600 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.25556E-02 ppm1      4.290 ppm2      1.743 CV     1
 OR { 2462}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HD3 ))
 ASSI { 2465}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name H   ))
      3.000     1.100     1.100 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.22001E-02 ppm1      4.290 ppm2      8.286 CV     1
 ASSI { 2468}
   (( segid "B   " and resid 48   and name HB3 ))
   (( segid "B   " and resid 49   and name H   ))
      3.300     1.400     1.400 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.85035E-03 ppm1      1.807 ppm2      8.221 CV     1
 ASSI { 2470}
   (( segid "B   " and resid 48   and name HB2 ))
   (( segid "B   " and resid 49   and name H   ))
      3.500     1.600     1.600 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.10933E-02 ppm1      1.939 ppm2      8.218 CV     1
 ASSI { 2471}
   (( segid "A   " and resid 47   and name HA2 ))
   (( segid "A   " and resid 48   and name H   ))
      2.800     1.000     1.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.41207E-02 ppm1      4.235 ppm2      8.571 CV     1
 ASSI { 2472}
   (( segid "A   " and resid 47   and name HA3 ))
   (( segid "A   " and resid 48   and name H   ))
      2.800     1.000     1.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.42508E-02 ppm1      4.006 ppm2      8.570 CV     1
 ASSI { 2473}
   (( segid "A   " and resid 47   and name HA2 ))
   (( segid "A   " and resid 47   and name HA3 ))
      1.900     0.500     0.500 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.82737E-02 ppm1      4.233 ppm2      4.010 CV     1
 ASSI { 2475}
   (( segid "B   " and resid 47   and name HA2 ))
   (( segid "B   " and resid 47   and name HA3 ))
      1.800     0.400     0.400 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.83776E-02 ppm1      4.167 ppm2      3.745 CV     1
 ASSI { 2477}
   (( segid "B   " and resid 47   and name HA2 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.600     2.600     3.400 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      4.159 ppm2      0.883 CV     1
 ASSI { 2478}
   (( segid "B   " and resid 47   and name HA2 ))
   (  segid "C   " and resid 1929  and name HG2%)
      4.400     2.400     1.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      4.163 ppm2      0.782 CV     1
 ASSI { 2479}
   (( segid "B   " and resid 47   and name HA3 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.500     2.500     3.500 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.13218E-02 ppm1      3.742 ppm2      0.881 CV     1
 ASSI { 2480}
   (( segid "B   " and resid 47   and name HA3 ))
   (  segid "C   " and resid 1929  and name HG2%)
      2.800     1.000     1.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.13513E-02 ppm1      3.750 ppm2      0.783 CV     1
 ASSI { 2481}
   (( segid "B   " and resid 47   and name HA3 ))
   (( segid "B   " and resid 47   and name H   ))
      2.700     0.900     0.900 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.41226E-02 ppm1      3.747 ppm2      8.255 CV     1
 ASSI { 2482}
   (( segid "B   " and resid 47   and name HA2 ))
   (( segid "B   " and resid 47   and name H   ))
      2.400     0.700     0.700 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.37804E-02 ppm1      4.167 ppm2      8.253 CV     1
 ASSI { 2483}
   (( segid "A   " and resid 46   and name HA  ))
   (( segid "A   " and resid 47   and name H   ))
      2.700     0.900     0.900 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.42637E-02 ppm1      4.466 ppm2      8.567 CV     1
 ASSI { 2490}
   (( segid "A   " and resid 46   and name HG  ))
   (( segid "A   " and resid 47   and name H   ))
      4.500     2.500     1.500 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.63707E-03 ppm1      1.935 ppm2      8.569 CV     1
 ASSI { 2492}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 47   and name H   ))
      3.800     1.800     1.800 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.30541E-02 ppm1      1.052 ppm2      8.564 CV     1
 OR { 2492}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 47   and name H   ))
 OR { 2492}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 47   and name H   ))
 ASSI { 2493}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 47   and name H   ))
      3.400     1.400     1.400 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.48142E-02 ppm1      0.978 ppm2      8.566 CV     1
 OR { 2493}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 47   and name H   ))
 OR { 2493}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 47   and name H   ))
 ASSI { 2494}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 39   and name H   ))
      3.200     1.300     1.300 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.32406E-02 ppm1      0.977 ppm2      7.945 CV     1
 OR { 2494}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2494}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2495}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name H   ))
      2.900     1.100     1.100 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.32925E-02 ppm1      1.053 ppm2      7.947 CV     1
 OR { 2495}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2495}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2496}
   (( segid "A   " and resid 46   and name HD11))
   (  segid "A   " and resid 55   and name HE% )
      2.500     0.800     0.800 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.78381E-02 ppm1      1.054 ppm2      7.220 CV     1
 OR { 2496}
   (( segid "A   " and resid 46   and name HD13))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2496}
   (( segid "A   " and resid 46   and name HD12))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2496}
   (( segid "A   " and resid 46   and name HD11))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2497}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 46   and name H   ))
      3.400     1.500     1.500 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.41378E-02 ppm1      1.056 ppm2      7.289 CV     1
 OR { 2497}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 46   and name H   ))
 OR { 2497}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 46   and name H   ))
 ASSI { 2498}
   (( segid "A   " and resid 46   and name HD21))
   (  segid "A   " and resid 55   and name HE% )
      2.200     0.600     0.600 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.10170E-01 ppm1      0.977 ppm2      7.218 CV     1
 OR { 2498}
   (( segid "A   " and resid 46   and name HD22))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2498}
   (( segid "A   " and resid 46   and name HD23))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2498}
   (( segid "A   " and resid 46   and name HD21))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2499}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 46   and name H   ))
      2.900     1.100     1.100 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.57247E-02 ppm1      0.975 ppm2      7.294 CV     1
 OR { 2499}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 46   and name H   ))
 OR { 2499}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 46   and name H   ))
 ASSI { 2500}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1897  and name HE22))
      4.000     2.000     2.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.14033E-02 ppm1      0.977 ppm2      6.486 CV     1
 OR { 2500}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1897  and name HE22))
 OR { 2500}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1897  and name HE22))
 ASSI { 2501}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "C   " and resid 1897  and name HE22))
      4.700     2.700     1.300 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.67152E-03 ppm1      1.052 ppm2      6.484 CV     1
 OR { 2501}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "C   " and resid 1897  and name HE22))
 OR { 2501}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "C   " and resid 1897  and name HE22))
 ASSI { 2502}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1897  and name HE21))
      3.800     1.800     1.800 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.12178E-02 ppm1      0.978 ppm2      7.119 CV     1
 OR { 2502}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1897  and name HE21))
 OR { 2502}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1897  and name HE21))
 ASSI { 2503}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      1.823 ppm2      4.467 CV     1
 OR { 2503}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 46   and name HA  ))
 ASSI { 2505}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.58396E-02 ppm1      1.052 ppm2      4.465 CV     1
 OR { 2505}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2505}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 46   and name HA  ))
 ASSI { 2506}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 46   and name HA  ))
      2.000     0.500     0.500 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.14746E-01 ppm1      0.978 ppm2      4.466 CV     1
 OR { 2506}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2506}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 46   and name HA  ))
 ASSI { 2507}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.24364E-02 ppm1      0.977 ppm2      4.348 CV     1
 OR { 2507}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 43   and name HA  ))
 OR { 2507}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI { 2508}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.65289E-02 ppm1      1.054 ppm2      4.349 CV     1
 OR { 2508}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 43   and name HA  ))
 OR { 2508}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI { 2509}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name HB  ))
      3.500     1.500     1.500 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.30281E-02 ppm1      1.053 ppm2      4.247 CV     1
 OR { 2509}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name HB  ))
 OR { 2509}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name HB  ))
 ASSI { 2511}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.13725E-02 ppm1      0.978 ppm2      3.811 CV     1
 OR { 2511}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 38   and name HA  ))
 OR { 2511}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI { 2513}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name HA  ))
      2.100     0.500     0.500 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.12171E-01 ppm1      1.052 ppm2      3.908 CV     1
 OR { 2513}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2513}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI { 2514}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      1.055 ppm2      3.811 CV     1
 OR { 2514}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 38   and name HA  ))
 OR { 2514}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI { 2515}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 46   and name HG  ))
      1.900     0.500     0.500 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.12485E-01 ppm1      1.053 ppm2      1.936 CV     1
 OR { 2515}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 46   and name HG  ))
 OR { 2515}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 46   and name HG  ))
 ASSI { 2516}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 46   and name HB2 ))
      2.000     0.500     0.500 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.21544E-01 ppm1      1.049 ppm2      1.820 CV     1
 OR { 2516}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2516}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI { 2517}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 46   and name HB3 ))
      2.300     0.600     0.600 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.13858E-01 ppm1      0.977 ppm2      1.820 CV     1
 OR { 2517}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2517}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2517}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2517}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI { 2518}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 46   and name HG  ))
      1.800     0.400     0.400 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.16719E-01 ppm1      0.977 ppm2      1.938 CV     1
 OR { 2518}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 46   and name HG  ))
 OR { 2518}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 46   and name HG  ))
 ASSI { 2519}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1897  and name HG2 ))
      3.600     1.700     1.700 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.18143E-02 ppm1      0.976 ppm2      2.219 CV     1
 OR { 2519}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1897  and name HG2 ))
 OR { 2519}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI { 2521}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 38   and name HB3 ))
      2.200     0.600     0.600 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.57137E-02 ppm1      0.976 ppm2      1.667 CV     1
 OR { 2521}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2521}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 38   and name HB3 ))
 ASSI { 2522}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 39   and name HG21))
      3.000     1.200     1.200 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.72160E-02 ppm1      0.976 ppm2      1.353 CV     1
 OR { 2522}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2522}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 39   and name HG22))
 ASSI { 2524}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 46   and name HG  ))
      2.200     0.600     0.600 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.46321E-02 ppm1      1.819 ppm2      1.941 CV     1
 OR { 2524}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 46   and name HG  ))
 ASSI { 2526}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 46   and name HD13))
      2.500     0.800     0.800 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.45304E-02 ppm1      1.820 ppm2      1.053 CV     1
 OR { 2526}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 46   and name HD11))
 OR { 2526}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 46   and name HD13))
 OR { 2526}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 46   and name HD12))
 OR { 2526}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 46   and name HD11))
 ASSI { 2530}
   (( segid "A   " and resid 46   and name HA  ))
   (( segid "A   " and resid 46   and name HG  ))
      3.200     1.300     1.300 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      4.464 ppm2      1.941 CV     1
 ASSI { 2537}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD13))
      3.100     1.200     1.200 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1      1.836 ppm2      1.065 CV     1
 OR { 2537}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD12))
 OR { 2537}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD11))
 ASSI { 2538}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD22))
      3.600     1.600     1.600 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      1.842 ppm2      0.958 CV     1
 OR { 2538}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD21))
 OR { 2538}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HD23))
 ASSI { 2539}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HB3 ))
      1.800     0.400     0.400 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.66610E-02 ppm1      1.838 ppm2      1.715 CV     1
 ASSI { 2540}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HG  ))
      2.400     0.700     0.700 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.22695E-02 ppm1      1.838 ppm2      1.986 CV     1
 ASSI { 2544}
   (( segid "B   " and resid 46   and name HB2 ))
   (( segid "B   " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.97889E-03 ppm1      1.842 ppm2      4.750 CV     1
 ASSI { 2545}
   (( segid "B   " and resid 46   and name HB3 ))
   (( segid "B   " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.12693E-02 ppm1      1.713 ppm2      4.745 CV     1
 ASSI { 2549}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 46   and name HB3 ))
      2.100     0.600     0.600 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.11529E-01 ppm1      1.067 ppm2      1.713 CV     1
 OR { 2549}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 46   and name HB3 ))
 OR { 2549}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 46   and name HB3 ))
 ASSI { 2550}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 46   and name HG  ))
      2.000     0.500     0.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.11345E-01 ppm1      1.067 ppm2      1.987 CV     1
 OR { 2550}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 46   and name HG  ))
 OR { 2550}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 46   and name HG  ))
 ASSI { 2551}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.81155E-02 ppm1      1.067 ppm2      3.978 CV     1
 OR { 2551}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 39   and name HA  ))
 OR { 2551}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 39   and name HA  ))
 ASSI { 2552}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.51784E-02 ppm1      1.067 ppm2      4.385 CV     1
 OR { 2552}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 43   and name HA  ))
 OR { 2552}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 43   and name HA  ))
 ASSI { 2553}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 46   and name HA  ))
      3.500     1.500     1.500 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.24407E-02 ppm1      1.067 ppm2      4.747 CV     1
 OR { 2553}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 46   and name HA  ))
 OR { 2553}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 46   and name HA  ))
 ASSI { 2554}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 46   and name HA  ))
      1.900     0.500     0.500 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.78878E-02 ppm1      0.960 ppm2      4.747 CV     1
 OR { 2554}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 46   and name HA  ))
 OR { 2554}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 46   and name HA  ))
 ASSI { 2555}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.16567E-02 ppm1      0.960 ppm2      4.379 CV     1
 OR { 2555}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 43   and name HA  ))
 OR { 2555}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 43   and name HA  ))
 ASSI { 2556}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.34204E-02 ppm1      0.960 ppm2      3.979 CV     1
 OR { 2556}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 39   and name HA  ))
 OR { 2556}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 39   and name HA  ))
 ASSI { 2557}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      0.960 ppm2      3.847 CV     1
 OR { 2557}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 38   and name HA  ))
 OR { 2557}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI { 2559}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 46   and name HG  ))
      1.700     0.400     0.500 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.18500E-01 ppm1      0.961 ppm2      1.989 CV     1
 OR { 2559}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 46   and name HG  ))
 OR { 2559}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 46   and name HG  ))
 ASSI { 2560}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "B   " and resid 46   and name HB3 ))
      2.200     0.600     0.600 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.11527E-01 ppm1      0.960 ppm2      1.717 CV     1
 OR { 2560}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "B   " and resid 46   and name HB3 ))
 OR { 2560}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "B   " and resid 46   and name HB3 ))
 ASSI { 2567}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 38   and name H   ))
      4.100     2.100     1.900 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      1.064 ppm2      8.528 CV     1
 OR { 2567}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2567}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 2573}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "C   " and resid 1900  and name HD2%)
      3.900     1.900     1.900 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.81284E-03 ppm1      3.391 ppm2      1.084 CV     1
 ASSI { 2577}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "C   " and resid 1900  and name HD2%)
      4.300     2.300     1.700 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.57550E-03 ppm1      4.471 ppm2      1.079 CV     1
 ASSI { 2578}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 45   and name HB3 ))
      2.900     1.000     1.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.15286E-02 ppm1      4.470 ppm2      2.865 CV     1
 ASSI { 2579}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      4.475 ppm2      3.388 CV     1
 ASSI { 2580}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 45   and name HB3 ))
      2.200     0.600     0.600 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.18017E-02 ppm1      3.379 ppm2      2.858 CV     1
 ASSI { 2587}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 45   and name H   ))
      3.300     1.400     1.400 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.74023E-03 ppm1      2.870 ppm2      7.952 CV     1
 OR { 2587}
   (( segid "A   " and resid 45   and name HB3 ))
   (( segid "A   " and resid 45   and name H   ))
 ASSI { 2588}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "A   " and resid 45   and name HD% )
      3.000     1.100     1.100 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      4.475 ppm2      7.192 CV     1
 ASSI { 2590}
   (( segid "B   " and resid 45   and name HA  ))
   (( segid "B   " and resid 45   and name H   ))
      2.800     0.900     0.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.16712E-02 ppm1      4.835 ppm2      8.046 CV     1
 ASSI { 2591}
   (( segid "B   " and resid 45   and name HA  ))
   (( segid "B   " and resid 46   and name H   ))
      2.600     0.800     0.800 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      4.835 ppm2      7.319 CV     1
 ASSI { 2593}
   (( segid "B   " and resid 45   and name HB2 ))
   (( segid "B   " and resid 46   and name H   ))
      3.000     1.200     1.200 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.16968E-02 ppm1      3.415 ppm2      7.321 CV     1
 ASSI { 2595}
   (( segid "B   " and resid 45   and name HB3 ))
   (( segid "B   " and resid 46   and name H   ))
      3.500     1.500     1.500 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      3.113 ppm2      7.314 CV     1
 ASSI { 2597}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 45   and name H   ))
      3.300     1.400     1.400 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.14176E-02 ppm1      4.235 ppm2      7.961 CV     1
 ASSI { 2598}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 46   and name H   ))
      3.800     1.800     1.800 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.78727E-03 ppm1      4.229 ppm2      7.289 CV     1
 ASSI { 2602}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.22695E-02 ppm1      4.232 ppm2      3.601 CV     1
 ASSI { 2603}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HB3 ))
      3.100     1.200     1.200 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      4.232 ppm2      3.474 CV     1
 ASSI { 2606}
   (( segid "A   " and resid 44   and name HB2 ))
   (( segid "A   " and resid 44   and name HB3 ))
      2.500     0.800     0.800 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.17803E-02 ppm1      3.605 ppm2      3.474 CV     1
 ASSI { 2608}
   (( segid "B   " and resid 44   and name HA  ))
   (( segid "B   " and resid 44   and name HB3 ))
      2.800     1.000     1.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.29609E-02 ppm1      4.287 ppm2      3.675 CV     1
 OR { 2608}
   (( segid "B   " and resid 44   and name HA  ))
   (( segid "B   " and resid 44   and name HB2 ))
 ASSI { 2609}
   (( segid "B   " and resid 44   and name HB2 ))
   (( segid "B   " and resid 44   and name HA  ))
      3.300     1.300     1.300 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      3.674 ppm2      4.293 CV     1
 ASSI { 2610}
   (( segid "B   " and resid 44   and name HA  ))
   (( segid "B   " and resid 46   and name H   ))
      3.400     1.500     1.500 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.72550E-03 ppm1      4.288 ppm2      7.331 CV     1
 ASSI { 2616}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 46   and name HB2 ))
      2.900     1.100     1.100 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.15678E-02 ppm1      4.348 ppm2      1.822 CV     1
 OR { 2616}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI { 2617}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 46   and name HG  ))
      2.900     1.000     1.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      4.348 ppm2      1.949 CV     1
 ASSI { 2618}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HB3 ))
      2.500     0.800     0.800 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.34401E-02 ppm1      4.351 ppm2      2.027 CV     1
 ASSI { 2619}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.29436E-02 ppm1      4.347 ppm2      2.414 CV     1
 ASSI { 2620}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HD3 ))
      3.900     1.900     1.900 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.79853E-03 ppm1      4.347 ppm2      3.211 CV     1
 ASSI { 2621}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HD2 ))
      4.100     2.100     1.900 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.71424E-03 ppm1      4.346 ppm2      3.741 CV     1
 ASSI { 2622}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.400     1.500     1.500 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.68757E-03 ppm1      4.351 ppm2      3.914 CV     1
 ASSI { 2627}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 43   and name HD2 ))
      4.400     2.500     1.600 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.86811E-03 ppm1      2.032 ppm2      3.742 CV     1
 ASSI { 2629}
   (( segid "A   " and resid 43   and name HD2 ))
   (( segid "A   " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.12693E-02 ppm1      3.745 ppm2      2.431 CV     1
 ASSI { 2631}
   (( segid "B   " and resid 43   and name HD2 ))
   (( segid "B   " and resid 42   and name H   ))
      4.300     2.300     1.700 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.72960E-03 ppm1      3.741 ppm2      7.606 CV     1
 ASSI { 2635}
   (( segid "B   " and resid 43   and name HA  ))
   (( segid "B   " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.29718E-02 ppm1      4.386 ppm2      2.447 CV     1
 ASSI { 2636}
   (( segid "B   " and resid 43   and name HA  ))
   (( segid "B   " and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.95093E-03 ppm1      4.386 ppm2      1.843 CV     1
 ASSI { 2637}
   (( segid "B   " and resid 43   and name HA  ))
   (( segid "B   " and resid 46   and name H   ))
      3.700     1.700     1.700 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.11354E-02 ppm1      4.388 ppm2      7.326 CV     1
 ASSI { 2644}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.100     0.600     0.600 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.86617E-03 ppm1      1.930 ppm2      2.121 CV     1
 ASSI { 2646}
   (( segid "B   " and resid 42   and name HG  ))
   (( segid "B   " and resid 42   and name HB3 ))
      2.900     1.000     1.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.79918E-03 ppm1      1.558 ppm2      1.925 CV     1
 ASSI { 2647}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 43   and name HD2 ))
      3.000     1.100     1.100 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      5.509 ppm2      3.739 CV     1
 ASSI { 2648}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name H   ))
      3.300     1.300     1.300 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.77968E-03 ppm1      5.486 ppm2      7.704 CV     1
 ASSI { 2650}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HD12))
      3.400     1.500     1.500 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.40600E-02 ppm1      0.869 ppm2     -0.108 CV     1
 OR { 2650}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HD12))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2650}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 82   and name HD12))
 ASSI { 2651}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HG22))
      4.400     2.400     1.600 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.15243E-02 ppm1      0.868 ppm2      0.054 CV     1
 OR { 2651}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HG22))
 OR { 2651}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 82   and name HG22))
 OR { 2651}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HG21))
 OR { 2651}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HG21))
 OR { 2651}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 82   and name HG23))
 OR { 2651}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 82   and name HG23))
 ASSI { 2652}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 79   and name HD21))
      3.000     1.100     1.100 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.40338E-02 ppm1      0.871 ppm2      0.440 CV     1
 OR { 2652}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 79   and name HD23))
 OR { 2652}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 79   and name HD22))
 OR { 2652}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 79   and name HD21))
 OR { 2652}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 79   and name HD21))
 OR { 2652}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 79   and name HD23))
 OR { 2652}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 79   and name HD22))
 ASSI { 2654}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 79   and name HD21))
      2.600     0.800     0.800 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.35744E-02 ppm1      0.706 ppm2      0.439 CV     1
 OR { 2654}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 79   and name HD23))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 79   and name HD22))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 79   and name HD23))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 79   and name HD21))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 79   and name HD23))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 79   and name HD22))
 OR { 2654}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 79   and name HD21))
 ASSI { 2657}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 5    and name HD12))
      1.900     0.500     0.500 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.16474E-01 ppm1      0.871 ppm2      1.079 CV     1
 OR { 2657}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 5    and name HD11))
 OR { 2657}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 5    and name HD13))
 OR { 2657}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 5    and name HD12))
 OR { 2657}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 5    and name HD11))
 OR { 2657}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 5    and name HD13))
 OR { 2657}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 5    and name HD12))
 ASSI { 2658}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 37   and name HB3 ))
      2.800     1.000     1.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.33642E-02 ppm1      0.872 ppm2      1.139 CV     1
 OR { 2658}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 37   and name HB3 ))
 OR { 2658}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI { 2659}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 37   and name HG  ))
      2.100     2.100     3.900 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.98776E-02 ppm1      0.874 ppm2      1.298 CV     1
 OR { 2659}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 37   and name HG  ))
 OR { 2659}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 37   and name HG  ))
 ASSI { 2661}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 42   and name HG  ))
      1.800     0.400     0.400 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.12867E-01 ppm1      0.871 ppm2      1.542 CV     1
 OR { 2661}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 2661}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 42   and name HG  ))
 ASSI { 2662}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 5    and name HG  ))
      2.300     0.700     0.700 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.50873E-02 ppm1      0.870 ppm2      1.838 CV     1
 OR { 2662}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 5    and name HG  ))
 OR { 2662}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 5    and name HG  ))
 ASSI { 2663}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 42   and name HB3 ))
      2.900     1.000     1.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.76496E-02 ppm1      0.872 ppm2      1.910 CV     1
 OR { 2663}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 42   and name HB3 ))
 OR { 2663}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI { 2664}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 42   and name HB2 ))
      2.100     0.500     0.500 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.82801E-02 ppm1      0.870 ppm2      2.122 CV     1
 OR { 2664}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 42   and name HB2 ))
 OR { 2664}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 42   and name HB2 ))
 ASSI { 2666}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 41   and name HB2 ))
      2.100     0.600     0.600 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.74500E-02 ppm1      0.871 ppm2      2.416 CV     1
 OR { 2666}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 2666}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI { 2668}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 43   and name HD3 ))
      3.300     1.300     1.300 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.36438E-02 ppm1      0.869 ppm2      3.233 CV     1
 OR { 2668}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 43   and name HD3 ))
 OR { 2668}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 43   and name HD3 ))
 ASSI { 2670}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HG  ))
      2.200     0.600     0.600 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.59022E-02 ppm1      0.706 ppm2      1.548 CV     1
 OR { 2670}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 2670}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HG  ))
 ASSI { 2671}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HB3 ))
      2.300     0.700     0.700 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.40403E-02 ppm1      0.705 ppm2      1.925 CV     1
 OR { 2671}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HB3 ))
 OR { 2671}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI { 2672}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.34553E-02 ppm1      0.707 ppm2      2.122 CV     1
 OR { 2672}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HB2 ))
 OR { 2672}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HB2 ))
 ASSI { 2677}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HD13))
      2.100     0.600     0.600 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.12349E-01 ppm1      0.706 ppm2      0.869 CV     1
 OR { 2677}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HD11))
 OR { 2677}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HD11))
 ASSI { 2678}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 38   and name HD21))
      3.300     1.400     1.400 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      0.705 ppm2      0.919 CV     1
 OR { 2678}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 38   and name HD21))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 38   and name HD21))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 38   and name HD22))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 38   and name HD22))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2678}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 38   and name HD22))
 ASSI { 2679}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.21138E-02 ppm1      0.706 ppm2      3.808 CV     1
 OR { 2679}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 38   and name HA  ))
 OR { 2679}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI { 2680}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 38   and name HA  ))
      1.700     0.400     0.500 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      0.874 ppm2      3.808 CV     1
 OR { 2680}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 38   and name HA  ))
 OR { 2680}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI { 2681}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      0.874 ppm2      3.963 CV     1
 OR { 2681}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 2681}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 2683}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.62209E-02 ppm1      0.868 ppm2      5.487 CV     1
 OR { 2683}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 42   and name HA  ))
 OR { 2683}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 42   and name HA  ))
 ASSI { 2684}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.13946E-02 ppm1      0.708 ppm2      5.488 CV     1
 OR { 2684}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name HA  ))
 OR { 2684}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name HA  ))
 ASSI { 2685}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "A   " and resid 75   and name HE% )
      3.000     3.000     3.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.52672E-02 ppm1      0.874 ppm2      6.710 CV     1
 OR { 2685}
   (( segid "A   " and resid 42   and name HD12))
   (  segid "A   " and resid 75   and name HE% )
 OR { 2685}
   (( segid "A   " and resid 42   and name HD11))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 2686}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
      2.800     1.000     1.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.48423E-02 ppm1      0.872 ppm2      7.021 CV     1
 OR { 2686}
   (( segid "A   " and resid 42   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
 OR { 2686}
   (( segid "A   " and resid 42   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 2688}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 78   and name HZ  ))
      3.500     1.600     1.600 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      0.872 ppm2      6.841 CV     1
 OR { 2688}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 78   and name HZ  ))
 OR { 2688}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 78   and name HZ  ))
 ASSI { 2690}
   (( segid "A   " and resid 42   and name HD11))
   (  segid "A   " and resid 45   and name HD% )
      3.900     1.900     1.900 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.45585E-02 ppm1      0.869 ppm2      7.199 CV     1
 OR { 2690}
   (( segid "A   " and resid 42   and name HD12))
   (  segid "A   " and resid 45   and name HD% )
 OR { 2690}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "A   " and resid 45   and name HD% )
 ASSI { 2691}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "A   " and resid 19   and name HD% )
      2.500     2.500     3.500 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.14011E-02 ppm1      0.871 ppm2      7.404 CV     1
 OR { 2691}
   (( segid "A   " and resid 42   and name HD12))
   (  segid "A   " and resid 19   and name HD% )
 OR { 2691}
   (( segid "A   " and resid 42   and name HD11))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 2692}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 42   and name H   ))
      2.600     0.800     0.800 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.25469E-02 ppm1      0.871 ppm2      7.702 CV     1
 OR { 2692}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 42   and name H   ))
 OR { 2692}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 42   and name H   ))
 ASSI { 2696}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 5    and name H   ))
      4.700     2.800     1.300 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.74391E-03 ppm1      0.871 ppm2     10.864 CV     1
 OR { 2696}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 5    and name H   ))
 OR { 2696}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 5    and name H   ))
 ASSI { 2697}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 42   and name H   ))
      4.400     2.400     1.600 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1      0.707 ppm2      7.700 CV     1
 OR { 2697}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 42   and name H   ))
 OR { 2697}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 42   and name H   ))
 ASSI { 2699}
   (( segid "A   " and resid 42   and name HD21))
   (  segid "A   " and resid 45   and name HD% )
      3.900     1.900     1.900 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.10604E-02 ppm1      0.708 ppm2      7.201 CV     1
 OR { 2699}
   (( segid "A   " and resid 42   and name HD22))
   (  segid "A   " and resid 45   and name HD% )
 OR { 2699}
   (( segid "A   " and resid 42   and name HD23))
   (  segid "A   " and resid 45   and name HD% )
 ASSI { 2700}
   (( segid "A   " and resid 42   and name HD23))
   (  segid "A   " and resid 78   and name HE% )
      2.800     1.000     1.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.35634E-02 ppm1      0.707 ppm2      7.031 CV     1
 OR { 2700}
   (( segid "A   " and resid 42   and name HD22))
   (  segid "A   " and resid 78   and name HE% )
 OR { 2700}
   (( segid "A   " and resid 42   and name HD21))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 2705}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 42   and name HG  ))
      3.000     1.100     1.100 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.71769E-03 ppm1      5.517 ppm2      1.538 CV     1
 ASSI { 2706}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 42   and name HB3 ))
      2.700     0.900     0.900 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.90324E-03 ppm1      5.514 ppm2      1.926 CV     1
 ASSI { 2707}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 41   and name HB2 ))
      4.100     2.100     1.900 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.86010E-03 ppm1      5.510 ppm2      2.429 CV     1
 ASSI { 2710}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "A   " and resid 6    and name H   ))
      4.300     2.300     1.700 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.43396E-03 ppm1      5.516 ppm2      7.117 CV     1
 ASSI { 2711}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 43   and name HD3 ))
      2.900     1.100     1.100 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.14961E-02 ppm1      5.513 ppm2      3.215 CV     1
 ASSI { 2713}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HD13))
      3.900     1.900     1.900 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.17907E-02 ppm1      0.778 ppm2     -0.166 CV     1
 OR { 2713}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HD11))
 OR { 2713}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 82   and name HD13))
 OR { 2713}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 82   and name HD11))
 OR { 2713}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HD12))
 OR { 2713}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 82   and name HD11))
 OR { 2713}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 82   and name HD13))
 ASSI { 2714}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 82   and name HG22))
      4.300     2.400     1.700 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.15576E-02 ppm1      0.781 ppm2      0.252 CV     1
 OR { 2714}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HG22))
 OR { 2714}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HG21))
 OR { 2714}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 82   and name HG21))
 OR { 2714}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 82   and name HG22))
 OR { 2714}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HG23))
 OR { 2714}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 82   and name HG21))
 ASSI { 2717}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 82   and name HG22))
      3.500     1.500     1.500 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      0.684 ppm2      0.248 CV     1
 OR { 2717}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 82   and name HG21))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 82   and name HG22))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 82   and name HG22))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 82   and name HG21))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 82   and name HG23))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 82   and name HG21))
 OR { 2717}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 82   and name HG23))
 ASSI { 2719}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HD23))
      2.000     0.500     0.500 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.16047E-01 ppm1      0.778 ppm2      0.682 CV     1
 OR { 2719}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HD22))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HD23))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HD21))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HD21))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HD22))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HD23))
 OR { 2719}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HD22))
 ASSI { 2723}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HG  ))
      2.100     0.500     0.500 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.54451E-02 ppm1      0.778 ppm2      1.540 CV     1
 OR { 2723}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 2723}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HG  ))
 ASSI { 2724}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HB3 ))
      2.600     0.800     0.800 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.18563E-02 ppm1      0.778 ppm2      1.629 CV     1
 OR { 2724}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HB3 ))
 OR { 2724}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI { 2725}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HB2 ))
      3.300     1.400     1.400 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.25231E-02 ppm1      0.779 ppm2      2.164 CV     1
 OR { 2725}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HB2 ))
 OR { 2725}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HB2 ))
 ASSI { 2726}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HB2 ))
      2.300     0.600     0.600 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.36135E-02 ppm1      0.778 ppm2      2.066 CV     1
 OR { 2726}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HB2 ))
 OR { 2726}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HB2 ))
 ASSI { 2727}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HB3 ))
      3.100     1.200     1.200 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.30216E-02 ppm1      0.779 ppm2      1.922 CV     1
 OR { 2727}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 2727}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HB3 ))
 ASSI { 2728}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HG  ))
      2.400     0.700     0.700 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.31777E-02 ppm1      0.778 ppm2      1.810 CV     1
 OR { 2728}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HG  ))
 OR { 2728}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HG  ))
 ASSI { 2729}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 6    and name HB2 ))
      3.400     1.400     1.400 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.13639E-02 ppm1      0.776 ppm2      2.226 CV     1
 OR { 2729}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 6    and name HB2 ))
 OR { 2729}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI { 2730}
   (( segid "B   " and resid 35   and name HG2 ))
   (( segid "B   " and resid 36   and name HG2 ))
      4.000     2.000     2.000 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      0.779 ppm2      2.542 CV     1
 ASSI { 2731}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.35244E-02 ppm1      0.778 ppm2      2.434 CV     1
 OR { 2731}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 2731}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 41   and name HB2 ))
 ASSI { 2732}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 42   and name HG  ))
      2.200     0.600     0.600 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.51522E-02 ppm1      0.683 ppm2      1.541 CV     1
 OR { 2732}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 2732}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 42   and name HG  ))
 ASSI { 2733}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 42   and name HB2 ))
      2.600     0.900     0.900 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.36306E-02 ppm1      0.683 ppm2      2.066 CV     1
 OR { 2733}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 42   and name HB2 ))
 OR { 2733}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 42   and name HB2 ))
 ASSI { 2734}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 42   and name HB3 ))
      2.300     0.700     0.700 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.33274E-02 ppm1      0.684 ppm2      1.921 CV     1
 OR { 2734}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 2734}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 42   and name HB3 ))
 ASSI { 2735}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 43   and name HD3 ))
      3.100     1.200     1.200 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.34227E-02 ppm1      0.779 ppm2      3.217 CV     1
 OR { 2735}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 43   and name HD3 ))
 ASSI { 2736}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 45   and name HB2 ))
      5.100     3.200     0.900 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.61127E-03 ppm1      0.780 ppm2      3.407 CV     1
 OR { 2736}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 45   and name HB2 ))
 OR { 2736}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 45   and name HB2 ))
 ASSI { 2738}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 43   and name HD2 ))
      4.500     2.500     1.500 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.83279E-03 ppm1      0.777 ppm2      3.738 CV     1
 OR { 2738}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 43   and name HD2 ))
 ASSI { 2739}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.18646E-02 ppm1      0.684 ppm2      3.861 CV     1
 OR { 2739}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 38   and name HA  ))
 OR { 2739}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI { 2740}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HA  ))
      4.400     2.400     1.600 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.81632E-03 ppm1      0.779 ppm2      4.277 CV     1
 OR { 2740}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 2740}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI { 2741}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 6    and name HA  ))
      3.400     1.400     1.400 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.22846E-02 ppm1      0.777 ppm2      4.064 CV     1
 OR { 2741}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 2741}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI { 2742}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.55100E-02 ppm1      0.778 ppm2      5.512 CV     1
 OR { 2742}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name HA  ))
 OR { 2742}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name HA  ))
 ASSI { 2743}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      0.684 ppm2      5.514 CV     1
 OR { 2743}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 42   and name HA  ))
 OR { 2743}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 42   and name HA  ))
 ASSI { 2744}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 42   and name H   ))
      2.800     1.000     1.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      0.779 ppm2      7.604 CV     1
 OR { 2744}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 42   and name H   ))
 OR { 2744}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 42   and name H   ))
 ASSI { 2745}
   (( segid "B   " and resid 42   and name HD12))
   (  segid "B   " and resid 45   and name HD% )
      4.100     2.100     1.900 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.33316E-02 ppm1      0.779 ppm2      7.316 CV     1
 OR { 2745}
   (( segid "B   " and resid 42   and name HD11))
   (  segid "B   " and resid 45   and name HD% )
 OR { 2745}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "B   " and resid 45   and name HD% )
 ASSI { 2746}
   (( segid "B   " and resid 42   and name HD11))
   (  segid "B   " and resid 45   and name HE% )
      3.800     1.800     1.800 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.29068E-02 ppm1      0.779 ppm2      7.132 CV     1
 OR { 2746}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "B   " and resid 45   and name HE% )
 OR { 2746}
   (( segid "B   " and resid 42   and name HD12))
   (  segid "B   " and resid 45   and name HE% )
 ASSI { 2748}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 9    and name H   ))
      5.000     3.200     1.000 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.59394E-03 ppm1      0.774 ppm2      7.831 CV     1
 OR { 2748}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 9    and name H   ))
 OR { 2748}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 2749}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 45   and name H   ))
      4.200     2.200     1.800 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      0.777 ppm2      8.043 CV     1
 OR { 2749}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 45   and name H   ))
 OR { 2749}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 45   and name H   ))
 ASSI { 2754}
   (( segid "B   " and resid 42   and name HD21))
   (  segid "B   " and resid 45   and name HD% )
      3.300     1.300     1.300 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      0.685 ppm2      7.313 CV     1
 OR { 2754}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "B   " and resid 45   and name HD% )
 OR { 2754}
   (( segid "B   " and resid 42   and name HD23))
   (  segid "B   " and resid 45   and name HD% )
 ASSI { 2755}
   (( segid "B   " and resid 42   and name HD23))
   (  segid "B   " and resid 78   and name HE% )
      2.800     1.000     1.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.20119E-02 ppm1      0.683 ppm2      6.895 CV     1
 OR { 2755}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
 OR { 2755}
   (( segid "B   " and resid 42   and name HD21))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 2756}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 78   and name HZ  ))
      3.300     1.400     1.400 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.91322E-03 ppm1      0.678 ppm2      6.819 CV     1
 OR { 2756}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 2756}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 2757}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name H   ))
      2.700     2.700     3.300 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.78078E-03 ppm1      0.776 ppm2     10.752 CV     1
 OR { 2757}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name H   ))
 ASSI { 2758}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name H   ))
      3.100     1.200     1.200 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.10307E-02 ppm1      4.934 ppm2      8.572 CV     1
 ASSI { 2762}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HB3 ))
      2.700     0.900     0.900 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.19320E-02 ppm1      4.937 ppm2      2.168 CV     1
 ASSI { 2763}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.25708E-02 ppm1      4.941 ppm2      2.416 CV     1
 ASSI { 2764}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HG2 ))
      4.100     2.100     1.900 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.66090E-03 ppm1      4.940 ppm2      2.624 CV     1
 ASSI { 2765}
   (( segid "B   " and resid 41   and name HA  ))
   (( segid "B   " and resid 41   and name H   ))
      3.300     1.300     1.300 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.79682E-03 ppm1      4.950 ppm2      8.519 CV     1
 ASSI { 2766}
   (( segid "B   " and resid 41   and name HA  ))
   (( segid "B   " and resid 42   and name H   ))
      3.600     1.600     1.600 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.64182E-03 ppm1      4.945 ppm2      7.607 CV     1
 ASSI { 2767}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 40   and name H   ))
      3.900     1.900     1.900 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      3.404 ppm2      8.121 CV     1
 ASSI { 2768}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 41   and name H   ))
      2.900     2.900     3.100 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.48901E-03 ppm1      3.402 ppm2      8.572 CV     1
 ASSI { 2769}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 40   and name H   ))
      2.700     0.900     0.900 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      1.846 ppm2      8.121 CV     1
 ASSI { 2770}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name H   ))
      3.600     1.700     1.700 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.22868E-02 ppm1      2.005 ppm2      8.123 CV     1
 ASSI { 2771}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 39   and name H   ))
      4.500     2.600     1.500 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.81955E-03 ppm1      2.008 ppm2      7.948 CV     1
 ASSI { 2772}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 39   and name H   ))
      4.000     2.000     2.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.61689E-03 ppm1      1.841 ppm2      7.944 CV     1
 ASSI { 2773}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 39   and name H   ))
      2.800     2.800     3.200 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.58635E-03 ppm1      3.404 ppm2      7.956 CV     1
 ASSI { 2774}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 41   and name H   ))
      4.600     2.700     1.400 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.88351E-03 ppm1      1.998 ppm2      8.580 CV     1
 ASSI { 2775}
   (( segid "A   " and resid 40   and name HB3 ))
   (( segid "A   " and resid 40   and name H   ))
      4.200     2.200     1.800 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.79008E-03 ppm1      2.003 ppm2      8.112 CV     1
 ASSI { 2778}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 41   and name H   ))
      3.500     1.600     1.600 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.89694E-03 ppm1      4.419 ppm2      8.580 CV     1
 ASSI { 2779}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HD2 ))
      2.500     0.800     0.800 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.26661E-02 ppm1      4.424 ppm2      3.401 CV     1
 OR { 2779}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HD3 ))
 ASSI { 2780}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name HD3 ))
      2.300     0.600     0.600 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.70145E-02 ppm1      2.003 ppm2      3.401 CV     1
 OR { 2780}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name HD2 ))
 ASSI { 2781}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.37823E-02 ppm1      2.003 ppm2      4.430 CV     1
 ASSI { 2782}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.27810E-02 ppm1      4.421 ppm2      2.183 CV     1
 ASSI { 2783}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HB3 ))
      2.200     0.600     0.600 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.63814E-02 ppm1      4.419 ppm2      2.001 CV     1
 ASSI { 2784}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HG2 ))
      2.700     0.900     0.900 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.38043E-02 ppm1      4.419 ppm2      1.840 CV     1
 ASSI { 2796}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name H   ))
      2.900     1.000     1.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.18969E-02 ppm1      4.444 ppm2      8.223 CV     1
 ASSI { 2797}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 41   and name H   ))
      3.500     1.600     1.600 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.93097E-03 ppm1      4.452 ppm2      8.521 CV     1
 ASSI { 2798}
   (( segid "B   " and resid 40   and name HB2 ))
   (( segid "B   " and resid 41   and name H   ))
      2.900     1.000     1.000 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.66978E-03 ppm1      2.210 ppm2      8.517 CV     1
 ASSI { 2800}
   (( segid "B   " and resid 40   and name HB3 ))
   (( segid "B   " and resid 40   and name H   ))
      3.800     1.800     1.800 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      1.992 ppm2      8.224 CV     1
 ASSI { 2802}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 40   and name H   ))
      2.600     0.900     0.900 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.20794E-02 ppm1      2.000 ppm2      8.219 CV     1
 ASSI { 2803}
   (( segid "B   " and resid 40   and name HG3 ))
   (( segid "B   " and resid 40   and name H   ))
      3.800     1.800     1.800 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.17894E-02 ppm1      1.822 ppm2      8.221 CV     1
 ASSI { 2804}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 41   and name H   ))
      4.800     2.900     1.200 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.48878E-03 ppm1      1.997 ppm2      8.516 CV     1
 ASSI { 2805}
   (( segid "B   " and resid 40   and name HG3 ))
   (( segid "B   " and resid 41   and name H   ))
      4.800     2.900     1.200 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.67672E-03 ppm1      1.823 ppm2      8.525 CV     1
 ASSI { 2810}
   (( segid "B   " and resid 40   and name HD2 ))
   (( segid "B   " and resid 40   and name H   ))
      4.100     2.100     1.900 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.13053E-02 ppm1      3.396 ppm2      8.221 CV     1
 OR { 2810}
   (( segid "B   " and resid 40   and name HD3 ))
   (( segid "B   " and resid 40   and name H   ))
 ASSI { 2811}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name HD2 ))
      2.300     0.700     0.700 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1      4.444 ppm2      3.386 CV     1
 ASSI { 2812}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.23562E-02 ppm1      4.446 ppm2      2.201 CV     1
 ASSI { 2813}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name HG2 ))
      2.600     0.800     0.800 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.56120E-02 ppm1      4.446 ppm2      1.991 CV     1
 ASSI { 2814}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name HG3 ))
      3.500     1.500     1.500 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.34811E-02 ppm1      4.446 ppm2      1.831 CV     1
 ASSI { 2816}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 46   and name HD21))
      4.100     2.100     1.900 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.19883E-02 ppm1      3.909 ppm2      0.975 CV     1
 OR { 2816}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 46   and name HD22))
 OR { 2816}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 46   and name HD23))
 ASSI { 2818}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HB  ))
      2.700     0.900     0.900 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.27247E-02 ppm1      3.908 ppm2      4.244 CV     1
 ASSI { 2821}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name HG22))
      2.300     0.700     0.700 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.90889E-02 ppm1      4.238 ppm2      1.356 CV     1
 OR { 2821}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2821}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name HG23))
 ASSI { 2822}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 40   and name HG2 ))
      3.800     1.800     1.800 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.62471E-03 ppm1      4.238 ppm2      1.843 CV     1
 ASSI { 2823}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 40   and name HG3 ))
      4.500     2.600     1.500 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      4.237 ppm2      2.001 CV     1
 OR { 2823}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 40   and name HB3 ))
 ASSI { 2824}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 36   and name HB3 ))
      5.100     3.200     0.900 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.73525E-03 ppm1      4.231 ppm2      2.208 CV     1
 OR { 2824}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI { 2828}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 35   and name HG3 ))
      2.800     1.000     1.000 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.28482E-02 ppm1      1.352 ppm2      0.877 CV     1
 OR { 2828}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 35   and name HG3 ))
 OR { 2828}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 35   and name HG3 ))
 ASSI { 2830}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 35   and name HG2 ))
      2.900     1.100     1.100 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.19522E-02 ppm1      1.362 ppm2      0.773 CV     1
 OR { 2830}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 35   and name HG2 ))
 OR { 2830}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 35   and name HG3 ))
 OR { 2830}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 35   and name HG2 ))
 OR { 2830}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 35   and name HG3 ))
 ASSI { 2836}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 35   and name HE3 ))
      3.000     1.100     1.100 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.21550E-02 ppm1      1.352 ppm2      2.763 CV     1
 OR { 2836}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 35   and name HE3 ))
 OR { 2836}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 35   and name HE3 ))
 ASSI { 2837}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 35   and name HE3 ))
      3.100     1.200     1.200 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.20128E-02 ppm1      1.363 ppm2      2.663 CV     1
 OR { 2837}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 35   and name HE3 ))
 OR { 2837}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 35   and name HE3 ))
 ASSI { 2838}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HD2 ))
      3.500     1.500     1.500 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.19665E-02 ppm1      1.354 ppm2      3.406 CV     1
 OR { 2838}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HD2 ))
 OR { 2838}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HD2 ))
 OR { 2838}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HD3 ))
 OR { 2838}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HD3 ))
 OR { 2838}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HD3 ))
 ASSI { 2839}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 39   and name HA  ))
      2.200     0.600     0.600 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.14345E-01 ppm1      1.352 ppm2      3.906 CV     1
 OR { 2839}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2839}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI { 2840}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.11902E-01 ppm1      1.363 ppm2      3.978 CV     1
 OR { 2840}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 39   and name HA  ))
 OR { 2840}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 39   and name HA  ))
 ASSI { 2841}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 39   and name HB  ))
      2.000     0.500     0.500 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.22153E-01 ppm1      1.357 ppm2      4.238 CV     1
 OR { 2841}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 39   and name HB  ))
 OR { 2841}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 39   and name HB  ))
 ASSI { 2848}
   (( segid "A   " and resid 39   and name HG21))
   (  segid "A   " and resid 55   and name HE% )
      2.800     1.000     1.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.66025E-02 ppm1      1.358 ppm2      7.230 CV     1
 OR { 2848}
   (( segid "A   " and resid 39   and name HG23))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2848}
   (( segid "A   " and resid 39   and name HG22))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2848}
   (( segid "A   " and resid 39   and name HG23))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2849}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 39   and name H   ))
      2.300     0.700     0.700 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.10129E-01 ppm1      1.353 ppm2      7.941 CV     1
 OR { 2849}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2849}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2852}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 40   and name H   ))
      3.500     1.500     1.500 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.72505E-03 ppm1      3.905 ppm2      8.118 CV     1
 ASSI { 2855}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name H   ))
      3.200     1.300     1.300 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.23692E-02 ppm1      4.238 ppm2      7.951 CV     1
 ASSI { 2857}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name H   ))
      3.600     1.600     1.600 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.26184E-02 ppm1      1.363 ppm2      8.225 CV     1
 OR { 2857}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name H   ))
 OR { 2857}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name H   ))
 ASSI { 2860}
   (( segid "B   " and resid 39   and name HB  ))
   (( segid "B   " and resid 39   and name H   ))
      3.400     1.400     1.400 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.19344E-02 ppm1      4.229 ppm2      7.958 CV     1
 ASSI { 2862}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 39   and name H   ))
      2.400     0.700     0.700 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.10129E-01 ppm1      1.359 ppm2      7.961 CV     1
 OR { 2862}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 39   and name H   ))
 OR { 2862}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 2863}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 39   and name HB  ))
      2.800     0.900     0.900 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.27659E-02 ppm1      3.975 ppm2      4.233 CV     1
 ASSI { 2865}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.19140E-02 ppm1      1.363 ppm2      3.838 CV     1
 OR { 2865}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 36   and name HA  ))
 OR { 2865}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 36   and name HA  ))
 ASSI { 2866}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.12576E-02 ppm1      1.362 ppm2      3.543 CV     1
 OR { 2866}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 35   and name HA  ))
 OR { 2866}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI { 2867}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      1.359 ppm2      3.388 CV     1
 OR { 2867}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HD2 ))
 OR { 2867}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HD2 ))
 OR { 2867}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HD3 ))
 OR { 2867}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HD3 ))
 ASSI { 2868}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 36   and name HG2 ))
      4.100     2.100     1.900 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.81739E-03 ppm1      1.359 ppm2      2.499 CV     1
 OR { 2868}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 36   and name HG2 ))
 OR { 2868}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 36   and name HG2 ))
 ASSI { 2873}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 46   and name HD23))
      3.100     3.100     2.900 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.49834E-02 ppm1      1.363 ppm2      0.961 CV     1
 OR { 2873}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 46   and name HD23))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 46   and name HD23))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 46   and name HD21))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 46   and name HD21))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 46   and name HD21))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 46   and name HD22))
 OR { 2873}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 46   and name HD22))
 ASSI { 2875}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HD12))
      3.100     1.200     1.200 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.33316E-02 ppm1      3.809 ppm2      1.002 CV     1
 OR { 2875}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HD11))
 OR { 2875}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HD13))
 ASSI { 2879}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HB3 ))
      2.300     0.700     0.700 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.15138E-02 ppm1      3.807 ppm2      1.660 CV     1
 ASSI { 2880}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HG  ))
      2.100     0.600     0.600 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.29154E-02 ppm1      3.807 ppm2      1.904 CV     1
 OR { 2880}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HB2 ))
 ASSI { 2882}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.100     0.600     0.600 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.72657E-03 ppm1      3.807 ppm2      2.119 CV     1
 ASSI { 2884}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD12))
      2.700     0.900     0.900 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.13994E-02 ppm1      1.901 ppm2      0.994 CV     1
 OR { 2884}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD13))
 OR { 2884}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD11))
 ASSI { 2885}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD23))
      3.300     1.400     1.400 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.16023E-02 ppm1      1.894 ppm2      0.929 CV     1
 OR { 2885}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD22))
 OR { 2885}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD21))
 ASSI { 2886}
   (( segid "A   " and resid 38   and name HB3 ))
   (( segid "A   " and resid 38   and name HB2 ))
      1.600     0.300     0.600 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.48403E-02 ppm1      1.666 ppm2      1.899 CV     1
 ASSI { 2887}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 34   and name HD23))
      3.400     1.400     1.400 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.17063E-02 ppm1      1.904 ppm2      0.774 CV     1
 OR { 2887}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 34   and name HD21))
 OR { 2887}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 34   and name HD22))
 OR { 2887}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 34   and name HD12))
 ASSI { 2891}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      1.898 ppm2      3.804 CV     1
 ASSI { 2893}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 38   and name HA  ))
      2.300     0.700     0.700 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      1.903 ppm2      3.808 CV     1
 ASSI { 2896}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 39   and name H   ))
      3.000     1.100     1.100 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.85381E-03 ppm1      3.809 ppm2      7.941 CV     1
 ASSI { 2898}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name H   ))
      2.300     0.600     0.600 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.19305E-02 ppm1      1.898 ppm2      8.560 CV     1
 ASSI { 2899}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 39   and name H   ))
      3.000     1.200     1.200 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      1.893 ppm2      7.947 CV     1
 ASSI { 2900}
   (( segid "A   " and resid 38   and name HB2 ))
   (  segid "A   " and resid 55   and name HE% )
      3.700     1.700     1.700 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.67672E-03 ppm1      1.897 ppm2      7.228 CV     1
 ASSI { 2901}
   (( segid "A   " and resid 38   and name HB3 ))
   (( segid "A   " and resid 39   and name H   ))
      3.300     1.400     1.400 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      1.674 ppm2      7.941 CV     1
 ASSI { 2903}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 38   and name H   ))
      2.600     0.900     0.900 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.26445E-02 ppm1      1.902 ppm2      8.562 CV     1
 ASSI { 2905}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 38   and name H   ))
      3.400     1.500     1.500 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.43851E-02 ppm1      0.928 ppm2      8.563 CV     1
 OR { 2905}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 38   and name H   ))
 OR { 2905}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 2906}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 39   and name H   ))
      3.700     1.700     1.700 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.29718E-02 ppm1      0.928 ppm2      7.951 CV     1
 OR { 2906}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2906}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2908}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 42   and name H   ))
      4.900     3.000     1.100 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.57592E-03 ppm1      0.933 ppm2      7.705 CV     1
 OR { 2908}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 42   and name H   ))
 OR { 2908}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 42   and name H   ))
 ASSI { 2909}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 38   and name H   ))
      2.600     0.900     0.900 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.44697E-02 ppm1      1.004 ppm2      8.564 CV     1
 OR { 2909}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 38   and name H   ))
 OR { 2909}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 2910}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 39   and name H   ))
      3.600     1.600     1.600 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.28092E-02 ppm1      1.004 ppm2      7.950 CV     1
 OR { 2910}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2910}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2911}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name H   ))
      4.600     2.600     1.400 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      1.003 ppm2      7.698 CV     1
 OR { 2911}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name H   ))
 OR { 2911}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name H   ))
 ASSI { 2913}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "A   " and resid 55   and name HD% )
      3.100     1.200     1.200 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.58916E-02 ppm1      1.004 ppm2      7.217 CV     1
 OR { 2913}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "A   " and resid 55   and name HD% )
 OR { 2913}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 2914}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "A   " and resid 78   and name HE% )
      2.300     0.700     0.700 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.11178E-01 ppm1      1.004 ppm2      7.036 CV     1
 OR { 2914}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "A   " and resid 78   and name HE% )
 OR { 2914}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 2915}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "A   " and resid 78   and name HD% )
      3.200     1.300     1.300 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      1.006 ppm2      7.107 CV     1
 OR { 2915}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "A   " and resid 78   and name HD% )
 OR { 2915}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 2916}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 46   and name H   ))
      3.700     1.700     1.700 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      0.927 ppm2      7.296 CV     1
 OR { 2916}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 46   and name H   ))
 OR { 2916}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 46   and name H   ))
 ASSI { 2917}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "A   " and resid 55   and name HE% )
      2.800     0.900     0.900 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.11965E-01 ppm1      0.928 ppm2      7.218 CV     1
 OR { 2917}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "A   " and resid 55   and name HE% )
 OR { 2917}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 2918}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "A   " and resid 78   and name HD% )
      3.800     1.800     1.800 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.16768E-02 ppm1      0.929 ppm2      7.126 CV     1
 OR { 2918}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "A   " and resid 78   and name HD% )
 OR { 2918}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 2919}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "A   " and resid 78   and name HE% )
      2.600     0.800     0.800 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      0.928 ppm2      7.036 CV     1
 OR { 2919}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "A   " and resid 78   and name HE% )
 OR { 2919}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "A   " and resid 78   and name HE% )
 ASSI { 2920}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.13056E-02 ppm1      1.004 ppm2      3.450 CV     1
 OR { 2920}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 35   and name HA  ))
 OR { 2920}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 35   and name HA  ))
 ASSI { 2921}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.84038E-03 ppm1      1.005 ppm2      3.964 CV     1
 OR { 2921}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 2921}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 2924}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 50   and name HB  ))
      5.500     3.700     0.500 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.12635E-02 ppm1      1.004 ppm2      4.472 CV     1
 OR { 2924}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2924}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 50   and name HB  ))
 ASSI { 2925}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 38   and name HA  ))
      3.000     1.200     1.200 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      0.929 ppm2      3.805 CV     1
 OR { 2925}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 38   and name HA  ))
 OR { 2925}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI { 2926}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.42421E-02 ppm1      0.928 ppm2      3.453 CV     1
 OR { 2926}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 35   and name HA  ))
 OR { 2926}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 35   and name HA  ))
 ASSI { 2929}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 34   and name HA  ))
      4.300     2.400     1.700 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.11616E-02 ppm1      0.927 ppm2      3.958 CV     1
 OR { 2929}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 2929}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 2933}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD23))
      2.800     1.000     1.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.11677E-01 ppm1      1.004 ppm2      0.704 CV     1
 OR { 2933}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD23))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD21))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HD23))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD21))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD22))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HD21))
 OR { 2933}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD22))
 ASSI { 2935}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 38   and name HB3 ))
      2.600     0.800     0.800 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.74717E-02 ppm1      1.004 ppm2      1.667 CV     1
 OR { 2935}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2935}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 38   and name HB3 ))
 ASSI { 2937}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 38   and name HG  ))
      1.800     0.400     0.400 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.17202E-01 ppm1      1.004 ppm2      1.903 CV     1
 OR { 2937}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 2937}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI { 2938}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 46   and name HB3 ))
      4.700     2.800     1.300 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.13803E-02 ppm1      1.005 ppm2      1.813 CV     1
 OR { 2938}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2938}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2938}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2938}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI { 2939}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HB2 ))
      3.500     1.500     1.500 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.32599E-02 ppm1      1.005 ppm2      2.130 CV     1
 OR { 2939}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HB2 ))
 OR { 2939}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HB2 ))
 ASSI { 2940}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 38   and name HB3 ))
      2.100     0.500     0.500 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.66632E-02 ppm1      0.928 ppm2      1.667 CV     1
 OR { 2940}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2940}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 38   and name HB3 ))
 ASSI { 2943}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 38   and name HG  ))
      1.800     0.400     0.400 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.17887E-01 ppm1      0.928 ppm2      1.901 CV     1
 OR { 2943}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 2943}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI { 2945}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      2.500     0.800     0.800 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.45649E-02 ppm1      0.927 ppm2      1.092 CV     1
 OR { 2945}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 OR { 2945}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI { 2946}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 82   and name HD11))
      3.400     1.500     1.500 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.28699E-02 ppm1      1.004 ppm2     -0.108 CV     1
 OR { 2946}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 82   and name HD12))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 82   and name HD12))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2946}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 82   and name HD12))
 ASSI { 2948}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 82   and name HD11))
      3.500     1.600     1.600 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.10060E-02 ppm1      0.928 ppm2     -0.111 CV     1
 OR { 2948}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 82   and name HD12))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 82   and name HD11))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 82   and name HD13))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 82   and name HD12))
 OR { 2948}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 82   and name HD12))
 ASSI { 2952}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD23))
      2.800     1.000     1.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.51090E-02 ppm1      3.861 ppm2      1.040 CV     1
 OR { 2952}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2952}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2952}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2952}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD11))
 ASSI { 2953}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.15847E-02 ppm1      3.856 ppm2      1.719 CV     1
 ASSI { 2954}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 42   and name HB3 ))
      3.700     1.700     1.700 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.10062E-02 ppm1      3.856 ppm2      1.917 CV     1
 ASSI { 2955}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HB3 ))
      2.400     0.700     0.700 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      3.860 ppm2      2.011 CV     1
 ASSI { 2956}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HG  ))
      2.300     0.600     0.600 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      3.860 ppm2      2.062 CV     1
 ASSI { 2957}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HD23))
      2.600     0.800     0.800 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.29068E-02 ppm1      2.007 ppm2      1.041 CV     1
 OR { 2957}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2957}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2957}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2957}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HD13))
 ASSI { 2958}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 38   and name HB2 ))
      1.800     0.400     0.400 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1      2.004 ppm2      1.718 CV     1
 ASSI { 2960}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name HD21))
      2.200     0.600     0.600 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.49140E-02 ppm1      2.067 ppm2      1.040 CV     1
 OR { 2960}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name HD11))
 OR { 2960}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2960}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2960}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name HD22))
 ASSI { 2964}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name H   ))
      2.400     0.700     0.700 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.17633E-02 ppm1      3.858 ppm2      8.520 CV     1
 ASSI { 2965}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 39   and name H   ))
      3.200     1.300     1.300 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.57353E-03 ppm1      3.850 ppm2      7.963 CV     1
 ASSI { 2967}
   (( segid "B   " and resid 38   and name HB3 ))
   (( segid "B   " and resid 39   and name H   ))
      3.400     1.500     1.500 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.95438E-03 ppm1      2.008 ppm2      7.955 CV     1
 ASSI { 2969}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 38   and name H   ))
      2.700     0.900     0.900 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.22326E-02 ppm1      2.066 ppm2      8.521 CV     1
 ASSI { 2970}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 39   and name H   ))
      4.300     2.400     1.700 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.54299E-03 ppm1      2.063 ppm2      7.957 CV     1
 ASSI { 2971}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.29848E-02 ppm1      1.040 ppm2      3.545 CV     1
 OR { 2971}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 35   and name HA  ))
 OR { 2971}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI { 2972}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.26011E-02 ppm1      1.039 ppm2      3.859 CV     1
 OR { 2972}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 38   and name HA  ))
 OR { 2972}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI { 2974}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.13285E-02 ppm1      1.040 ppm2      3.984 CV     1
 OR { 2974}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 2974}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 2975}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      1.040 ppm2      3.541 CV     1
 OR { 2975}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 35   and name HA  ))
 OR { 2975}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI { 2977}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.11863E-01 ppm1      1.040 ppm2      3.860 CV     1
 OR { 2977}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 38   and name HA  ))
 OR { 2977}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI { 2978}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "B   " and resid 55   and name HE% )
      2.700     0.900     0.900 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.72008E-02 ppm1      1.038 ppm2      7.269 CV     1
 OR { 2978}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "B   " and resid 55   and name HE% )
 OR { 2978}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "B   " and resid 55   and name HE% )
 ASSI { 2979}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "B   " and resid 78   and name HD% )
      4.100     2.100     1.900 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      1.039 ppm2      7.004 CV     1
 OR { 2979}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "B   " and resid 78   and name HD% )
 OR { 2979}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 2980}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "B   " and resid 78   and name HE% )
      2.800     1.000     1.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.25751E-02 ppm1      1.040 ppm2      6.895 CV     1
 OR { 2980}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "B   " and resid 78   and name HE% )
 OR { 2980}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 2981}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 78   and name HZ  ))
      2.800     1.000     1.000 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.17705E-02 ppm1      1.040 ppm2      6.817 CV     1
 OR { 2981}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 2981}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 2982}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 39   and name H   ))
      3.900     1.900     1.900 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      1.038 ppm2      7.966 CV     1
 OR { 2982}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 39   and name H   ))
 OR { 2982}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 2983}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 38   and name H   ))
      2.800     1.000     1.000 peak  2983 spectrum    1 weight  0.10000E+01 volume  0.35634E-02 ppm1      1.039 ppm2      8.521 CV     1
 OR { 2983}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2983}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 2984}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 38   and name H   ))
      3.500     1.500     1.500 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.43590E-02 ppm1      1.040 ppm2      8.520 CV     1
 OR { 2984}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2984}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 2987}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 39   and name H   ))
      3.900     1.900     1.900 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      1.040 ppm2      7.959 CV     1
 OR { 2987}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 39   and name H   ))
 OR { 2987}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 2988}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1929  and name H   ))
      5.100     3.200     0.900 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.55881E-03 ppm1      1.040 ppm2      8.591 CV     1
 OR { 2988}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1929  and name H   ))
 OR { 2988}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1929  and name H   ))
 ASSI { 2989}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name H   ))
      4.400     2.400     1.600 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      1.039 ppm2      7.604 CV     1
 OR { 2989}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name H   ))
 OR { 2989}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name H   ))
 ASSI { 2990}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
      2.700     0.900     0.900 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.48772E-02 ppm1      1.040 ppm2      7.287 CV     1
 OR { 2990}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR { 2990}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI { 2991}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.100     1.200     1.200 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.29609E-02 ppm1      1.039 ppm2      7.209 CV     1
 OR { 2991}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR { 2991}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI { 2992}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "B   " and resid 78   and name HD% )
      3.600     1.600     1.600 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.24017E-02 ppm1      1.040 ppm2      7.007 CV     1
 OR { 2992}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "B   " and resid 78   and name HD% )
 OR { 2992}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 2993}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
      2.700     0.900     0.900 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.66936E-02 ppm1      1.039 ppm2      6.893 CV     1
 OR { 2993}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "B   " and resid 78   and name HE% )
 OR { 2993}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 2994}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 78   and name HZ  ))
      2.600     0.800     0.800 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.44913E-02 ppm1      1.039 ppm2      6.819 CV     1
 OR { 2994}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 78   and name HZ  ))
 OR { 2994}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 78   and name HZ  ))
 ASSI { 2995}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.300     1.300     1.300 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.43286E-02 ppm1      1.037 ppm2      7.195 CV     1
 OR { 2995}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR { 2995}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI { 2996}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 38   and name HB2 ))
      2.100     0.600     0.600 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.70210E-02 ppm1      1.038 ppm2      1.716 CV     1
 OR { 2996}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2996}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 38   and name HB2 ))
 ASSI { 2997}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HG  ))
      3.200     1.300     1.300 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.56226E-02 ppm1      1.039 ppm2      1.644 CV     1
 OR { 2997}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 2997}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HG  ))
 ASSI { 2998}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 38   and name HG  ))
      2.000     0.500     0.500 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.97779E-02 ppm1      1.039 ppm2      2.060 CV     1
 OR { 2998}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 38   and name HG  ))
 OR { 2998}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 38   and name HG  ))
 ASSI { 2999}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 38   and name HB3 ))
      2.600     0.900     0.900 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.66393E-02 ppm1      1.038 ppm2      2.009 CV     1
 OR { 2999}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 38   and name HB3 ))
 OR { 2999}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 38   and name HB3 ))
 ASSI { 3001}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 38   and name HG  ))
      1.900     0.400     0.400 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.13149E-01 ppm1      1.040 ppm2      2.062 CV     1
 OR { 3001}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 38   and name HG  ))
 OR { 3001}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 38   and name HG  ))
 ASSI { 3003}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 38   and name HB3 ))
      2.200     0.600     0.600 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.53779E-02 ppm1      1.040 ppm2      2.002 CV     1
 OR { 3003}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 38   and name HB3 ))
 OR { 3003}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 38   and name HB3 ))
 ASSI { 3004}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.69971E-02 ppm1      1.039 ppm2      1.717 CV     1
 OR { 3004}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 3004}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 38   and name HB2 ))
 ASSI { 3007}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD12))
      3.700     1.700     1.700 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.23453E-02 ppm1      1.040 ppm2      0.773 CV     1
 OR { 3007}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD12))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name HD12))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD13))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD13))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD11))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD11))
 OR { 3007}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name HD13))
 ASSI { 3008}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD21))
      2.300     0.700     0.700 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.11352E-01 ppm1      1.039 ppm2      0.684 CV     1
 OR { 3008}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD23))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD21))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD23))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HD22))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name HD21))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name HD23))
 OR { 3008}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HD22))
 ASSI { 3009}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 62   and name HD22))
      3.600     1.700     1.700 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.13693E-02 ppm1      1.039 ppm2      0.413 CV     1
 OR { 3009}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3009}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 62   and name HD23))
 ASSI { 3010}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 42   and name HD23))
      4.000     2.000     2.000 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.13051E-02 ppm1      1.039 ppm2      0.684 CV     1
 OR { 3010}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 42   and name HD23))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 42   and name HD21))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 42   and name HD23))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 42   and name HD21))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 42   and name HD22))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 42   and name HD21))
 OR { 3010}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 42   and name HD22))
 ASSI { 3012}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 62   and name HD22))
      4.000     2.000     2.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.89455E-03 ppm1      1.037 ppm2      0.418 CV     1
 OR { 3012}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3012}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3012}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3012}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3012}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3012}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 62   and name HD23))
 ASSI { 3016}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "C   " and resid 1928  and name HB2 ))
      4.500     2.500     1.500 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.81674E-03 ppm1      1.039 ppm2      3.088 CV     1
 OR { 3016}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 3016}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "C   " and resid 1928  and name HB2 ))
 ASSI { 3038}
   (( segid "A   " and resid 37   and name HB3 ))
   (( segid "A   " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.58483E-03 ppm1      1.140 ppm2      2.596 CV     1
 ASSI { 3044}
   (( segid "A   " and resid 37   and name HD12))
   (  segid "A   " and resid 19   and name HD% )
      2.300     0.600     0.600 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.79205E-02 ppm1      0.908 ppm2      7.409 CV     1
 OR { 3044}
   (( segid "A   " and resid 37   and name HD11))
   (  segid "A   " and resid 19   and name HD% )
 OR { 3044}
   (( segid "A   " and resid 37   and name HD13))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 3045}
   (( segid "A   " and resid 37   and name HD13))
   (  segid "A   " and resid 75   and name HE% )
      2.800     1.000     1.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.46799E-02 ppm1      0.909 ppm2      6.709 CV     1
 OR { 3045}
   (( segid "A   " and resid 37   and name HD11))
   (  segid "A   " and resid 75   and name HE% )
 OR { 3045}
   (( segid "A   " and resid 37   and name HD12))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 3048}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 38   and name H   ))
      4.400     2.400     1.600 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.15011E-02 ppm1      0.908 ppm2      8.566 CV     1
 OR { 3048}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 38   and name H   ))
 OR { 3048}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 3049}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 38   and name H   ))
      4.200     2.200     1.800 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.21175E-02 ppm1      0.914 ppm2      8.521 CV     1
 OR { 3049}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 38   and name H   ))
 OR { 3049}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 3051}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.47470E-02 ppm1      0.908 ppm2      3.582 CV     1
 OR { 3051}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 16   and name HA  ))
 OR { 3051}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 16   and name HA  ))
 ASSI { 3060}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 37   and name HB3 ))
      2.900     1.000     1.000 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.49227E-02 ppm1      0.914 ppm2      1.175 CV     1
 OR { 3060}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 37   and name HB3 ))
 OR { 3060}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 37   and name HB3 ))
 ASSI { 3061}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 37   and name HB3 ))
      2.900     1.000     1.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.47361E-02 ppm1      0.910 ppm2      1.137 CV     1
 OR { 3061}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 37   and name HB3 ))
 OR { 3061}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI { 3065}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.50831E-02 ppm1      0.914 ppm2      3.610 CV     1
 OR { 3065}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 16   and name HA  ))
 OR { 3065}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 16   and name HA  ))
 ASSI { 3069}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD11))
      2.700     0.900     0.900 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.46602E-02 ppm1      0.917 ppm2      0.726 CV     1
 OR { 3069}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD12))
 OR { 3069}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 29   and name HD11))
 OR { 3069}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 29   and name HD11))
 OR { 3069}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 29   and name HD12))
 OR { 3069}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 29   and name HD12))
 OR { 3069}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD13))
 ASSI { 3070}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 37   and name HB3 ))
      2.400     0.700     0.700 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.35679E-02 ppm1      0.855 ppm2      1.180 CV     1
 OR { 3070}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name HB3 ))
 OR { 3070}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 37   and name HB3 ))
 ASSI { 3077}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.48859E-02 ppm1      0.855 ppm2      3.860 CV     1
 OR { 3077}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name HA  ))
 OR { 3077}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI { 3079}
   (( segid "B   " and resid 37   and name HD23))
   (  segid "B   " and resid 75   and name HE% )
      2.700     0.900     0.900 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.43351E-02 ppm1      0.855 ppm2      6.654 CV     1
 OR { 3079}
   (( segid "B   " and resid 37   and name HD22))
   (  segid "B   " and resid 75   and name HE% )
 OR { 3079}
   (( segid "B   " and resid 37   and name HD21))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 3082}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name H   ))
      2.900     1.100     1.100 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.51719E-02 ppm1      0.856 ppm2      8.520 CV     1
 OR { 3082}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name H   ))
 OR { 3082}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 3085}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 75   and name HE% )
      2.800     1.000     1.000 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.39625E-02 ppm1      0.912 ppm2      6.662 CV     1
 OR { 3085}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 75   and name HE% )
 OR { 3085}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 3086}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 19   and name HD% )
      2.300     0.700     0.700 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.72266E-02 ppm1      0.915 ppm2      7.424 CV     1
 OR { 3086}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 19   and name HD% )
 OR { 3086}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3089}
   (( segid "B   " and resid 37   and name HB3 ))
   (( segid "B   " and resid 37   and name H   ))
      3.000     1.100     1.100 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.13367E-02 ppm1      1.184 ppm2      7.946 CV     1
 ASSI { 3090}
   (( segid "B   " and resid 37   and name HB3 ))
   (( segid "B   " and resid 37   and name HB2 ))
      2.200     0.600     0.600 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.12329E-02 ppm1      1.171 ppm2      1.671 CV     1
 ASSI { 3091}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 39   and name HG23))
      3.800     1.800     1.800 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.11241E-02 ppm1      3.881 ppm2      1.354 CV     1
 OR { 3091}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 3091}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 39   and name HG21))
 ASSI { 3092}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name HB3 ))
      2.500     0.800     0.800 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.53279E-02 ppm1      3.880 ppm2      2.210 CV     1
 ASSI { 3095}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 35   and name HG2 ))
      3.700     1.700     1.700 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.74500E-03 ppm1      3.885 ppm2      0.891 CV     1
 OR { 3095}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 35   and name HG3 ))
 ASSI { 3097}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 39   and name HB  ))
      4.100     2.100     1.900 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      3.879 ppm2      4.243 CV     1
 ASSI { 3098}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 37   and name H   ))
      3.100     1.200     1.200 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.16242E-02 ppm1      3.880 ppm2      7.945 CV     1
 ASSI { 3099}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name H   ))
      2.700     0.900     0.900 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      3.880 ppm2      7.846 CV     1
 ASSI { 3102}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 39   and name HG23))
      4.700     2.700     1.300 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.75282E-03 ppm1      2.209 ppm2      1.358 CV     1
 OR { 3102}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 3102}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 39   and name HG21))
 OR { 3102}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 39   and name HG23))
 OR { 3102}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 39   and name HG22))
 ASSI { 3103}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.47277E-02 ppm1      2.210 ppm2      3.875 CV     1
 OR { 3103}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 36   and name HA  ))
 ASSI { 3104}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 33   and name HA  ))
      2.600     0.900     0.900 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.36958E-02 ppm1      2.204 ppm2      4.073 CV     1
 OR { 3104}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 3105}
   (( segid "A   " and resid 36   and name HB3 ))
   (  segid "A   " and resid 19   and name HE% )
      2.800     1.000     1.000 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.33729E-02 ppm1      2.204 ppm2      6.847 CV     1
 OR { 3105}
   (( segid "A   " and resid 36   and name HB2 ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 3106}
   (( segid "A   " and resid 36   and name HB3 ))
   (  segid "A   " and resid 19   and name HD% )
      2.400     0.700     0.700 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.36871E-02 ppm1      2.201 ppm2      7.415 CV     1
 OR { 3106}
   (( segid "A   " and resid 36   and name HB2 ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 3107}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 36   and name H   ))
      2.000     0.500     0.500 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.94573E-02 ppm1      2.205 ppm2      7.848 CV     1
 OR { 3107}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 36   and name H   ))
 ASSI { 3108}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name H   ))
      2.500     0.800     0.800 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      2.205 ppm2      7.946 CV     1
 OR { 3108}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name H   ))
 ASSI { 3109}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 38   and name H   ))
      4.600     2.700     1.400 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.60737E-03 ppm1      2.206 ppm2      8.545 CV     1
 OR { 3109}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 3111}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.32037E-02 ppm1      2.497 ppm2      3.866 CV     1
 ASSI { 3112}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.19623E-02 ppm1      2.497 ppm2      3.952 CV     1
 ASSI { 3113}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 33   and name HA  ))
      4.200     2.200     1.800 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.12132E-02 ppm1      2.497 ppm2      4.075 CV     1
 ASSI { 3116}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 88   and name HB2 ))
      2.600     0.800     0.800 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.36871E-02 ppm1      2.498 ppm2      2.027 CV     1
 ASSI { 3118}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 88   and name HB3 ))
      3.200     1.300     1.300 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      2.493 ppm2      1.892 CV     1
 ASSI { 3124}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 88   and name H   ))
      2.700     0.900     0.900 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.27659E-02 ppm1      2.494 ppm2      7.698 CV     1
 ASSI { 3125}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 36   and name H   ))
      3.500     1.500     1.500 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.20425E-02 ppm1      2.450 ppm2      7.844 CV     1
 ASSI { 3126}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 36   and name H   ))
      3.400     1.400     1.400 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.25925E-02 ppm1      2.425 ppm2      7.850 CV     1
 ASSI { 3129}
   (( segid "B   " and resid 36   and name HG3 ))
   (  segid "B   " and resid 19   and name HE% )
      3.800     1.800     1.800 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.27052E-02 ppm1      2.423 ppm2      6.851 CV     1
 ASSI { 3130}
   (( segid "A   " and resid 36   and name HG3 ))
   (  segid "A   " and resid 19   and name HE% )
      3.900     1.900     1.900 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.23930E-02 ppm1      2.452 ppm2      6.841 CV     1
 ASSI { 3131}
   (( segid "A   " and resid 36   and name HG3 ))
   (  segid "A   " and resid 19   and name HD% )
      4.800     2.900     1.200 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      2.447 ppm2      7.403 CV     1
 ASSI { 3133}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 40   and name HD3 ))
      4.000     2.000     2.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.14935E-02 ppm1      2.449 ppm2      3.407 CV     1
 OR { 3133}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 40   and name HD2 ))
 ASSI { 3134}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.26098E-02 ppm1      2.446 ppm2      3.884 CV     1
 ASSI { 3135}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.67326E-02 ppm1      2.447 ppm2      2.214 CV     1
 OR { 3135}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 36   and name HB3 ))
 ASSI { 3136}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 40   and name HG3 ))
      4.200     2.200     1.800 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.14354E-02 ppm1      2.453 ppm2      2.008 CV     1
 OR { 3136}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 40   and name HB3 ))
 ASSI { 3141}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 39   and name HB  ))
      4.300     2.400     1.700 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      3.831 ppm2      4.232 CV     1
 ASSI { 3142}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.46973E-02 ppm1      3.832 ppm2      2.193 CV     1
 OR { 3142}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 36   and name HB3 ))
 ASSI { 3143}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 36   and name HG2 ))
      3.000     1.100     1.100 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.18795E-02 ppm1      3.830 ppm2      2.504 CV     1
 ASSI { 3146}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 36   and name H   ))
      2.100     0.600     0.600 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.73677E-02 ppm1      2.192 ppm2      7.850 CV     1
 OR { 3146}
   (( segid "B   " and resid 36   and name HB3 ))
   (( segid "B   " and resid 36   and name H   ))
 ASSI { 3147}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 37   and name H   ))
      2.700     0.900     0.900 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.48510E-02 ppm1      2.194 ppm2      7.947 CV     1
 ASSI { 3148}
   (( segid "B   " and resid 36   and name HB3 ))
   (  segid "B   " and resid 19   and name HE% )
      2.800     1.000     1.000 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.27247E-02 ppm1      2.189 ppm2      6.851 CV     1
 OR { 3148}
   (( segid "B   " and resid 36   and name HB2 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3150}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.27377E-02 ppm1      2.187 ppm2      4.069 CV     1
 OR { 3150}
   (( segid "B   " and resid 36   and name HB3 ))
   (( segid "B   " and resid 33   and name HA  ))
 ASSI { 3151}
   (( segid "B   " and resid 36   and name HB3 ))
   (( segid "B   " and resid 15   and name HG22))
      5.600     3.900     0.400 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      2.182 ppm2      1.522 CV     1
 OR { 3151}
   (( segid "B   " and resid 36   and name HB3 ))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3151}
   (( segid "B   " and resid 36   and name HB3 ))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3151}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3151}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI { 3152}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 40   and name HD3 ))
      3.800     1.800     1.800 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      2.421 ppm2      3.394 CV     1
 OR { 3152}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 40   and name HD2 ))
 ASSI { 3153}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 36   and name HA  ))
      2.800     0.900     0.900 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.25014E-02 ppm1      2.415 ppm2      3.833 CV     1
 ASSI { 3159}
   (( segid "A   " and resid 35   and name HA  ))
   (  segid "A   " and resid 55   and name HE% )
      3.200     1.300     1.300 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.10964E-02 ppm1      3.453 ppm2      7.221 CV     1
 OR { 3159}
   (( segid "A   " and resid 35   and name HA  ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 3160}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 38   and name H   ))
      3.500     1.600     1.600 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.64485E-03 ppm1      3.446 ppm2      8.555 CV     1
 ASSI { 3162}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HG3 ))
      2.600     0.800     0.800 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.17822E-02 ppm1      3.448 ppm2      0.870 CV     1
 ASSI { 3163}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 38   and name HB2 ))
      3.000     1.100     1.100 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      3.452 ppm2      1.900 CV     1
 ASSI { 3164}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      3.454 ppm2      1.784 CV     1
 ASSI { 3165}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 38   and name HB3 ))
      4.700     2.800     1.300 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.59478E-03 ppm1      3.447 ppm2      1.670 CV     1
 ASSI { 3166}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HB3 ))
      3.100     1.200     1.200 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.30151E-02 ppm1      3.451 ppm2      1.379 CV     1
 OR { 3166}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HD3 ))
 OR { 3166}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HD2 ))
 ASSI { 3167}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HE3 ))
      5.200     3.300     0.800 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.53301E-03 ppm1      3.449 ppm2      2.765 CV     1
 OR { 3167}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HE2 ))
 ASSI { 3168}
   (( segid "A   " and resid 35   and name HB2 ))
   (( segid "A   " and resid 35   and name HG3 ))
      2.900     1.000     1.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      1.783 ppm2      0.874 CV     1
 ASSI { 3169}
   (( segid "A   " and resid 35   and name HB2 ))
   (( segid "A   " and resid 35   and name HB3 ))
      1.900     0.500     0.500 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.54125E-02 ppm1      1.785 ppm2      1.382 CV     1
 OR { 3169}
   (( segid "A   " and resid 35   and name HB2 ))
   (( segid "A   " and resid 35   and name HD3 ))
 OR { 3169}
   (( segid "A   " and resid 35   and name HB2 ))
   (( segid "A   " and resid 35   and name HD2 ))
 ASSI { 3176}
   (( segid "A   " and resid 35   and name HB3 ))
   (( segid "A   " and resid 35   and name HG3 ))
      3.300     1.400     1.400 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.14633E-02 ppm1      1.375 ppm2      0.877 CV     1
 ASSI { 3177}
   (( segid "A   " and resid 35   and name HB3 ))
   (( segid "A   " and resid 35   and name HB2 ))
      1.900     0.500     0.500 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.36393E-02 ppm1      1.380 ppm2      1.782 CV     1
 ASSI { 3178}
   (( segid "A   " and resid 35   and name HB3 ))
   (( segid "A   " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      1.379 ppm2      3.452 CV     1
 ASSI { 3179}
   (( segid "A   " and resid 35   and name HB3 ))
   (( segid "A   " and resid 35   and name H   ))
      2.900     1.000     1.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      1.382 ppm2      7.972 CV     1
 ASSI { 3181}
   (( segid "A   " and resid 35   and name HB3 ))
   (  segid "A   " and resid 55   and name HE% )
      5.000     3.100     1.000 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.45323E-03 ppm1      1.380 ppm2      7.210 CV     1
 OR { 3181}
   (( segid "A   " and resid 35   and name HB3 ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 3182}
   (( segid "A   " and resid 35   and name HB3 ))
   (( segid "A   " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.76993E-03 ppm1      1.386 ppm2      4.153 CV     1
 ASSI { 3183}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HB3 ))
      2.300     0.700     0.700 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.60172E-02 ppm1      0.902 ppm2      1.379 CV     1
 OR { 3183}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HD2 ))
 OR { 3183}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HD3 ))
 ASSI { 3184}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.17061E-02 ppm1      0.904 ppm2      1.780 CV     1
 ASSI { 3185}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HE2 ))
      2.900     1.100     1.100 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.17369E-02 ppm1      0.900 ppm2      2.766 CV     1
 OR { 3185}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HE3 ))
 ASSI { 3186}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.13157E-02 ppm1      0.900 ppm2      3.449 CV     1
 ASSI { 3187}
   (( segid "A   " and resid 35   and name HG3 ))
   (  segid "A   " and resid 55   and name HE% )
      3.100     1.200     1.200 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.16471E-02 ppm1      0.898 ppm2      7.217 CV     1
 OR { 3187}
   (( segid "A   " and resid 35   and name HG3 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 3187}
   (( segid "A   " and resid 35   and name HG2 ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 3188}
   (( segid "A   " and resid 35   and name HG3 ))
   (( segid "A   " and resid 35   and name H   ))
      4.400     2.400     1.600 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.11649E-02 ppm1      0.898 ppm2      7.965 CV     1
 OR { 3188}
   (( segid "A   " and resid 35   and name HG2 ))
   (( segid "A   " and resid 35   and name H   ))
 ASSI { 3189}
   (( segid "A   " and resid 35   and name HD3 ))
   (( segid "A   " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.18737E-02 ppm1      1.388 ppm2      4.165 CV     1
 OR { 3189}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI { 3190}
   (( segid "A   " and resid 35   and name HD3 ))
   (( segid "A   " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.11167E-02 ppm1      1.392 ppm2      3.455 CV     1
 OR { 3190}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 35   and name HA  ))
 ASSI { 3192}
   (( segid "A   " and resid 35   and name HD3 ))
   (( segid "A   " and resid 35   and name HE2 ))
      2.300     0.700     0.700 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.72657E-02 ppm1      1.388 ppm2      2.762 CV     1
 OR { 3192}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 35   and name HE2 ))
 ASSI { 3194}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 35   and name HG3 ))
      2.200     0.600     0.600 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.63620E-02 ppm1      1.387 ppm2      0.879 CV     1
 OR { 3194}
   (( segid "A   " and resid 35   and name HD3 ))
   (( segid "A   " and resid 35   and name HG3 ))
 ASSI { 3195}
   (( segid "A   " and resid 35   and name HD3 ))
   (( segid "A   " and resid 35   and name H   ))
      4.600     2.700     1.400 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.11259E-02 ppm1      1.385 ppm2      7.969 CV     1
 OR { 3195}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 35   and name H   ))
 ASSI { 3196}
   (( segid "A   " and resid 35   and name HD2 ))
   (( segid "A   " and resid 36   and name H   ))
      4.400     2.400     1.600 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.68908E-03 ppm1      1.389 ppm2      7.847 CV     1
 ASSI { 3197}
   (( segid "A   " and resid 35   and name HD2 ))
   (  segid "A   " and resid 55   and name HE% )
      3.100     1.200     1.200 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.23388E-02 ppm1      1.387 ppm2      7.219 CV     1
 OR { 3197}
   (( segid "A   " and resid 35   and name HD2 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 3197}
   (( segid "A   " and resid 35   and name HD3 ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 3198}
   (( segid "A   " and resid 35   and name HE3 ))
   (  segid "A   " and resid 55   and name HE% )
      3.000     3.000     3.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.30780E-02 ppm1      2.765 ppm2      7.218 CV     1
 OR { 3198}
   (( segid "A   " and resid 35   and name HE3 ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 3199}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name H   ))
      4.300     2.300     1.700 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.82672E-03 ppm1      2.766 ppm2      7.967 CV     1
 ASSI { 3200}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.15208E-02 ppm1      2.764 ppm2      4.158 CV     1
 OR { 3200}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI { 3202}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.59523E-03 ppm1      2.767 ppm2      4.755 CV     1
 ASSI { 3203}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 50   and name HB  ))
      3.400     3.400     2.600 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.13175E-02 ppm1      2.761 ppm2      4.485 CV     1
 ASSI { 3204}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 35   and name HG2 ))
      2.600     0.800     0.800 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.55274E-02 ppm1      2.764 ppm2      0.878 CV     1
 OR { 3204}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name HG2 ))
 OR { 3204}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name HG3 ))
 OR { 3204}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 35   and name HG3 ))
 ASSI { 3205}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 35   and name HD3 ))
      2.100     0.600     0.600 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.14187E-01 ppm1      2.763 ppm2      1.383 CV     1
 OR { 3205}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name HD2 ))
 OR { 3205}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 35   and name HD2 ))
 OR { 3205}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name HD3 ))
 ASSI { 3206}
   (( segid "A   " and resid 35   and name HE2 ))
   (( segid "A   " and resid 35   and name HB2 ))
      3.600     1.600     1.600 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      2.763 ppm2      1.781 CV     1
 OR { 3206}
   (( segid "A   " and resid 35   and name HE3 ))
   (( segid "A   " and resid 35   and name HB2 ))
 ASSI { 3208}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HG3 ))
      2.800     1.000     1.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.13610E-02 ppm1      3.544 ppm2      0.777 CV     1
 OR { 3208}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI { 3209}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 38   and name HD12))
      3.400     1.400     1.400 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      3.539 ppm2      1.038 CV     1
 OR { 3209}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3209}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3209}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 38   and name HD23))
 ASSI { 3210}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HB3 ))
      3.000     1.200     1.200 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      3.542 ppm2      1.268 CV     1
 ASSI { 3211}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.22239E-02 ppm1      3.542 ppm2      1.719 CV     1
 ASSI { 3213}
   (( segid "B   " and resid 35   and name HA  ))
   (  segid "B   " and resid 55   and name HE% )
      2.700     0.900     0.900 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      3.543 ppm2      7.245 CV     1
 ASSI { 3222}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 35   and name HB3 ))
      1.900     0.500     0.500 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.30411E-02 ppm1      1.724 ppm2      1.269 CV     1
 ASSI { 3230}
   (( segid "B   " and resid 35   and name HB3 ))
   (( segid "B   " and resid 35   and name HG2 ))
      3.100     1.200     1.200 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.78271E-03 ppm1      1.274 ppm2      0.774 CV     1
 OR { 3230}
   (( segid "B   " and resid 35   and name HB3 ))
   (( segid "B   " and resid 35   and name HG3 ))
 ASSI { 3232}
   (( segid "B   " and resid 35   and name HG3 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      0.780 ppm2      1.719 CV     1
 OR { 3232}
   (( segid "B   " and resid 35   and name HG2 ))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI { 3236}
   (( segid "B   " and resid 35   and name HD2 ))
   (( segid "B   " and resid 35   and name HA  ))
      4.900     3.000     1.100 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.52197E-03 ppm1      1.334 ppm2      3.553 CV     1
 ASSI { 3239}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 35   and name HE3 ))
      2.700     0.900     0.900 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.33729E-02 ppm1      1.220 ppm2      2.664 CV     1
 ASSI { 3240}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 35   and name HA  ))
      4.700     2.800     1.300 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.51742E-03 ppm1      1.208 ppm2      3.539 CV     1
 ASSI { 3241}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.52933E-03 ppm1      1.212 ppm2      4.151 CV     1
 ASSI { 3242}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.13641E-02 ppm1      1.218 ppm2      1.718 CV     1
 ASSI { 3243}
   (( segid "B   " and resid 35   and name HD2 ))
   (( segid "B   " and resid 35   and name HG3 ))
      2.600     0.800     0.800 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.21086E-02 ppm1      1.334 ppm2      0.778 CV     1
 OR { 3243}
   (( segid "B   " and resid 35   and name HD2 ))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI { 3244}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 35   and name HG3 ))
      3.000     1.100     1.100 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.18165E-02 ppm1      1.223 ppm2      0.778 CV     1
 OR { 3244}
   (( segid "B   " and resid 35   and name HD3 ))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI { 3247}
   (( segid "B   " and resid 35   and name HD2 ))
   (( segid "B   " and resid 35   and name HD3 ))
      1.500     0.300     0.700 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.14679E-01 ppm1      1.333 ppm2      1.221 CV     1
 ASSI { 3249}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.83408E-03 ppm1      2.671 ppm2      3.547 CV     1
 ASSI { 3250}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.72896E-03 ppm1      2.661 ppm2      4.144 CV     1
 OR { 3250}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI { 3251}
   (( segid "B   " and resid 35   and name HE3 ))
   (  segid "B   " and resid 55   and name HE% )
      3.700     1.700     1.700 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      2.667 ppm2      7.249 CV     1
 ASSI { 3252}
   (( segid "B   " and resid 35   and name HE3 ))
   (  segid "B   " and resid 55   and name HD% )
      3.600     1.700     1.700 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.99190E-03 ppm1      2.659 ppm2      7.193 CV     1
 ASSI { 3254}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.800     1.800     1.800 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.13027E-02 ppm1      2.665 ppm2      1.720 CV     1
 OR { 3254}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI { 3256}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HD2 ))
      2.400     0.700     0.700 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.63120E-02 ppm1      2.664 ppm2      1.336 CV     1
 OR { 3256}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 35   and name HD2 ))
 ASSI { 3257}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 35   and name HD3 ))
      2.400     0.700     0.700 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.53453E-02 ppm1      2.666 ppm2      1.222 CV     1
 OR { 3257}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HD3 ))
 ASSI { 3261}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 35   and name HG2 ))
      2.800     1.000     1.000 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.29891E-02 ppm1      2.664 ppm2      0.777 CV     1
 OR { 3261}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HG2 ))
 OR { 3261}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HG3 ))
 OR { 3261}
   (( segid "B   " and resid 35   and name HE2 ))
   (( segid "B   " and resid 35   and name HG3 ))
 ASSI { 3263}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name H   ))
      2.700     0.900     0.900 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      3.967 ppm2      8.927 CV     1
 ASSI { 3264}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 37   and name H   ))
      3.200     1.300     1.300 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.10821E-02 ppm1      3.962 ppm2      7.947 CV     1
 ASSI { 3265}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HD21))
      2.500     0.800     0.800 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.42440E-02 ppm1      3.957 ppm2      0.770 CV     1
 OR { 3265}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HD22))
 OR { 3265}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HD23))
 OR { 3265}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HD11))
 ASSI { 3266}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.000     1.100     1.100 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.10587E-02 ppm1      3.964 ppm2      1.392 CV     1
 ASSI { 3267}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HG  ))
      3.100     1.200     1.200 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.91644E-03 ppm1      3.962 ppm2      1.540 CV     1
 ASSI { 3268}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.74694E-03 ppm1      3.957 ppm2      1.668 CV     1
 ASSI { 3270}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 29   and name HD23))
      3.300     1.300     1.300 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.82369E-03 ppm1      3.962 ppm2      0.289 CV     1
 OR { 3270}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3270}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 29   and name HD21))
 ASSI { 3271}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HD11))
      3.100     1.200     1.200 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.19070E-02 ppm1      2.034 ppm2      0.780 CV     1
 OR { 3271}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 3271}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 3271}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3271}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HD23))
 ASSI { 3272}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HB3 ))
      2.200     0.600     0.600 peak  3272 spectrum    1 weight  0.10000E+01 volume  0.10487E-02 ppm1      2.029 ppm2      1.386 CV     1
 ASSI { 3275}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 34   and name HD23))
      2.800     1.000     1.000 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.19729E-02 ppm1      1.383 ppm2      0.780 CV     1
 OR { 3275}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3275}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 3275}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 34   and name HD11))
 OR { 3275}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 34   and name HD13))
 ASSI { 3280}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HD22))
      2.300     0.700     0.700 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.45930E-02 ppm1      1.544 ppm2      0.777 CV     1
 OR { 3280}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HD11))
 OR { 3280}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3280}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 3280}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HD23))
 ASSI { 3282}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak  3282 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      1.543 ppm2      1.386 CV     1
 ASSI { 3283}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.10636E-02 ppm1      1.544 ppm2      2.027 CV     1
 ASSI { 3284}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.25989E-02 ppm1      0.788 ppm2      4.040 CV     1
 OR { 3284}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 31   and name HA  ))
 OR { 3284}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 3285}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 34   and name HA  ))
      3.600     1.700     1.700 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.24039E-02 ppm1      0.788 ppm2      3.959 CV     1
 OR { 3285}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 3285}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 3287}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HG2 ))
      3.700     1.700     1.700 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.18130E-02 ppm1      0.790 ppm2      2.531 CV     1
 OR { 3287}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 59   and name HG2 ))
 OR { 3287}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HG2 ))
 ASSI { 3288}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HG3 ))
      3.500     1.500     1.500 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.17514E-02 ppm1      0.789 ppm2      2.432 CV     1
 OR { 3288}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 59   and name HG3 ))
 OR { 3288}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HG3 ))
 ASSI { 3289}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 34   and name H   ))
      3.600     1.600     1.600 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      0.789 ppm2      8.931 CV     1
 OR { 3289}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 34   and name H   ))
 OR { 3289}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 3291}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 35   and name H   ))
      3.600     1.600     1.600 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.31885E-02 ppm1      0.790 ppm2      7.966 CV     1
 OR { 3291}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 35   and name H   ))
 OR { 3291}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 35   and name H   ))
 ASSI { 3292}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 60   and name H   ))
      4.600     2.600     1.400 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.50073E-03 ppm1      0.792 ppm2      8.084 CV     1
 OR { 3292}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 60   and name H   ))
 OR { 3292}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 60   and name H   ))
 ASSI { 3293}
   (( segid "A   " and resid 34   and name HD12))
   (  segid "A   " and resid 55   and name HD% )
      3.000     1.100     1.100 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.39124E-02 ppm1      0.788 ppm2      7.219 CV     1
 OR { 3293}
   (( segid "A   " and resid 34   and name HD12))
   (  segid "A   " and resid 55   and name HE% )
 OR { 3293}
   (( segid "A   " and resid 34   and name HD11))
   (  segid "A   " and resid 55   and name HD% )
 OR { 3293}
   (( segid "A   " and resid 34   and name HD11))
   (  segid "A   " and resid 55   and name HE% )
 OR { 3293}
   (( segid "A   " and resid 34   and name HD13))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 3294}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.55555E-02 ppm1      0.789 ppm2      2.036 CV     1
 OR { 3294}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 34   and name HB2 ))
 OR { 3294}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 3295}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HE1 ))
      2.400     0.700     0.700 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.82649E-02 ppm1      0.788 ppm2      1.901 CV     1
 OR { 3295}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 3295}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HE2 ))
 ASSI { 3298}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 62   and name HD22))
      2.400     0.700     0.700 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.63859E-02 ppm1      0.790 ppm2      0.288 CV     1
 OR { 3298}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 62   and name HD22))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 62   and name HD21))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 62   and name HD22))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 62   and name HD23))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 62   and name HD21))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 62   and name HD21))
 OR { 3298}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 62   and name HD23))
 ASSI { 3299}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 34   and name HG  ))
      2.000     0.500     0.500 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.97240E-02 ppm1      0.789 ppm2      1.544 CV     1
 OR { 3299}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 3299}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 34   and name HG  ))
 ASSI { 3300}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 70   and name HG11))
      3.600     1.600     1.600 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.20339E-02 ppm1      0.789 ppm2      1.189 CV     1
 OR { 3300}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 70   and name HG11))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 70   and name HG11))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 70   and name HG13))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 70   and name HG13))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3300}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 70   and name HG13))
 ASSI { 3303}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD11))
      2.700     0.900     0.900 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.36761E-02 ppm1      0.767 ppm2      1.003 CV     1
 OR { 3303}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD11))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD12))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD13))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD12))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD13))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HD11))
 OR { 3303}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HD12))
 ASSI { 3308}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.35938E-02 ppm1      0.768 ppm2      2.032 CV     1
 OR { 3308}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 34   and name HB2 ))
 OR { 3308}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 3311}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HB2 ))
      3.600     1.600     1.600 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.16894E-02 ppm1      0.767 ppm2      1.690 CV     1
 OR { 3311}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 3311}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HB2 ))
 ASSI { 3312}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name HG  ))
      2.000     0.500     0.500 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.10190E-01 ppm1      0.768 ppm2      1.541 CV     1
 OR { 3312}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 3312}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 34   and name HG  ))
 ASSI { 3313}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.53343E-02 ppm1      0.768 ppm2      1.385 CV     1
 OR { 3313}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 3313}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI { 3317}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      0.768 ppm2      4.027 CV     1
 OR { 3317}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 31   and name HA  ))
 OR { 3317}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 3318}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.92122E-02 ppm1      0.769 ppm2      3.958 CV     1
 OR { 3318}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 3318}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 3319}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name H   ))
      4.700     2.800     1.300 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.49701E-03 ppm1      0.775 ppm2      9.639 CV     1
 OR { 3319}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name H   ))
 OR { 3319}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 29   and name H   ))
 ASSI { 3320}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name H   ))
      3.600     1.600     1.600 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.30975E-02 ppm1      0.769 ppm2      8.931 CV     1
 OR { 3320}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name H   ))
 OR { 3320}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 3321}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 33   and name H   ))
      5.000     3.100     1.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.47296E-03 ppm1      0.768 ppm2      8.683 CV     1
 OR { 3321}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 33   and name H   ))
 ASSI { 3322}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name H   ))
      3.600     1.600     1.600 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.14766E-02 ppm1      0.768 ppm2      8.564 CV     1
 OR { 3322}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name H   ))
 OR { 3322}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 3324}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 35   and name H   ))
      3.700     1.800     1.800 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.22413E-02 ppm1      0.768 ppm2      7.960 CV     1
 OR { 3324}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 35   and name H   ))
 OR { 3324}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 35   and name H   ))
 ASSI { 3326}
   (( segid "A   " and resid 34   and name HD23))
   (  segid "A   " and resid 55   and name HE% )
      3.900     1.900     1.900 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.13849E-02 ppm1      0.768 ppm2      7.219 CV     1
 OR { 3326}
   (( segid "A   " and resid 34   and name HD21))
   (  segid "A   " and resid 55   and name HE% )
 OR { 3326}
   (( segid "A   " and resid 34   and name HD22))
   (  segid "A   " and resid 55   and name HE% )
 OR { 3326}
   (( segid "A   " and resid 34   and name HD23))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 3327}
   (( segid "A   " and resid 34   and name HD22))
   (  segid "A   " and resid 78   and name HD% )
      3.300     1.400     1.400 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.12670E-02 ppm1      0.769 ppm2      7.114 CV     1
 OR { 3327}
   (( segid "A   " and resid 34   and name HD23))
   (  segid "A   " and resid 78   and name HD% )
 OR { 3327}
   (( segid "A   " and resid 34   and name HD21))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 3329}
   (( segid "A   " and resid 34   and name HD22))
   (  segid "A   " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.83321E-03 ppm1      0.770 ppm2      6.928 CV     1
 OR { 3329}
   (( segid "A   " and resid 34   and name HD21))
   (  segid "A   " and resid 75   and name HD% )
 OR { 3329}
   (( segid "A   " and resid 34   and name HD23))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 3331}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 37   and name H   ))
      3.300     1.300     1.300 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      3.984 ppm2      7.951 CV     1
 ASSI { 3332}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 29   and name HD23))
      3.200     1.300     1.300 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.85749E-03 ppm1      3.986 ppm2      0.274 CV     1
 OR { 3332}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3332}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 29   and name HD21))
 ASSI { 3335}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HG  ))
      2.900     1.000     1.000 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      3.984 ppm2      1.649 CV     1
 ASSI { 3342}
   (( segid "B   " and resid 34   and name HG  ))
   (( segid "B   " and resid 75   and name HB2 ))
      3.000     3.000     3.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.54037E-02 ppm1      1.640 ppm2      3.312 CV     1
 ASSI { 3343}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 31   and name HA  ))
      3.300     1.300     1.300 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      0.912 ppm2      4.085 CV     1
 OR { 3343}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 31   and name HA  ))
 OR { 3343}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI { 3344}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.20913E-02 ppm1      0.912 ppm2      3.990 CV     1
 OR { 3344}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3344}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 3345}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HA  ))
      3.000     1.200     1.200 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.24667E-02 ppm1      0.913 ppm2      3.929 CV     1
 OR { 3345}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name HA  ))
 OR { 3345}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name HA  ))
 ASSI { 3348}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HG3 ))
      4.100     2.100     1.900 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.13730E-02 ppm1      0.914 ppm2      2.453 CV     1
 OR { 3348}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name HG3 ))
 OR { 3348}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name HG3 ))
 ASSI { 3349}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 70   and name HB  ))
      3.100     1.200     1.200 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      0.910 ppm2      2.252 CV     1
 OR { 3349}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 70   and name HB  ))
 OR { 3349}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 70   and name HB  ))
 ASSI { 3350}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.45520E-02 ppm1      0.912 ppm2      2.111 CV     1
 OR { 3350}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 34   and name HB2 ))
 OR { 3350}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI { 3351}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HE1 ))
      2.500     0.800     0.800 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.51674E-02 ppm1      0.912 ppm2      1.967 CV     1
 OR { 3351}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 3351}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 3351}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 3351}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 3351}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name HE3 ))
 OR { 3351}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name HE3 ))
 ASSI { 3352}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 34   and name HG  ))
      2.100     0.600     0.600 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.74003E-02 ppm1      0.912 ppm2      1.642 CV     1
 OR { 3352}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 3352}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 34   and name HG  ))
 ASSI { 3353}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.47015E-02 ppm1      0.912 ppm2      1.442 CV     1
 OR { 3353}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 34   and name HB3 ))
 OR { 3353}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 34   and name HB3 ))
 ASSI { 3354}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 70   and name HG13))
      3.500     1.500     1.500 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.14919E-02 ppm1      0.911 ppm2      1.203 CV     1
 OR { 3354}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 70   and name HG12))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 70   and name HG11))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 70   and name HG13))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 70   and name HG13))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 70   and name HG12))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 70   and name HG11))
 OR { 3354}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 70   and name HG12))
 ASSI { 3355}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD22))
      2.600     0.900     0.900 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.53908E-02 ppm1      0.912 ppm2      0.412 CV     1
 OR { 3355}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3355}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD23))
 ASSI { 3356}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD13))
      3.800     1.800     1.800 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.16053E-02 ppm1      0.913 ppm2      0.555 CV     1
 OR { 3356}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD13))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 62   and name HD13))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 62   and name HD12))
 OR { 3356}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 62   and name HD12))
 ASSI { 3358}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 35   and name H   ))
      3.900     1.900     1.900 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.20969E-02 ppm1      0.912 ppm2      8.025 CV     1
 OR { 3358}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 35   and name H   ))
 OR { 3358}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 35   and name H   ))
 ASSI { 3359}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name H   ))
      3.700     1.700     1.700 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.14094E-02 ppm1      0.911 ppm2      8.266 CV     1
 OR { 3359}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name H   ))
 OR { 3359}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name H   ))
 ASSI { 3360}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 34   and name H   ))
      3.700     1.700     1.700 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.22174E-02 ppm1      0.911 ppm2      8.923 CV     1
 OR { 3360}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 34   and name H   ))
 OR { 3360}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 34   and name H   ))
 ASSI { 3361}
   (( segid "B   " and resid 34   and name HD11))
   (  segid "B   " and resid 55   and name HE% )
      3.200     1.300     1.300 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.16480E-02 ppm1      0.915 ppm2      7.260 CV     1
 OR { 3361}
   (( segid "B   " and resid 34   and name HD12))
   (  segid "B   " and resid 55   and name HE% )
 OR { 3361}
   (( segid "B   " and resid 34   and name HD13))
   (  segid "B   " and resid 55   and name HE% )
 ASSI { 3362}
   (( segid "B   " and resid 34   and name HD11))
   (  segid "B   " and resid 55   and name HD% )
      4.000     2.000     2.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.11096E-02 ppm1      0.913 ppm2      7.178 CV     1
 OR { 3362}
   (( segid "B   " and resid 34   and name HD12))
   (  segid "B   " and resid 55   and name HD% )
 OR { 3362}
   (( segid "B   " and resid 34   and name HD13))
   (  segid "B   " and resid 55   and name HD% )
 ASSI { 3363}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 34   and name H   ))
      3.800     1.800     1.800 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.22868E-02 ppm1      0.851 ppm2      8.920 CV     1
 OR { 3363}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 34   and name H   ))
 OR { 3363}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 34   and name H   ))
 ASSI { 3364}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 35   and name H   ))
      4.100     2.100     1.900 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.14629E-02 ppm1      0.854 ppm2      8.024 CV     1
 OR { 3364}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 35   and name H   ))
 OR { 3364}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 35   and name H   ))
 ASSI { 3366}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name H   ))
      3.600     1.700     1.700 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      0.853 ppm2      8.523 CV     1
 OR { 3366}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name H   ))
 OR { 3366}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 3367}
   (( segid "B   " and resid 34   and name HD23))
   (  segid "B   " and resid 55   and name HE% )
      4.700     2.800     1.300 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.87441E-03 ppm1      0.854 ppm2      7.249 CV     1
 OR { 3367}
   (( segid "B   " and resid 34   and name HD21))
   (  segid "B   " and resid 55   and name HE% )
 OR { 3367}
   (( segid "B   " and resid 34   and name HD22))
   (  segid "B   " and resid 55   and name HE% )
 ASSI { 3368}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
      4.600     2.600     1.400 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.58047E-03 ppm1      0.853 ppm2      7.199 CV     1
 OR { 3368}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR { 3368}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI { 3369}
   (( segid "B   " and resid 34   and name HD23))
   (  segid "B   " and resid 78   and name HD% )
      3.800     1.800     1.800 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.64485E-03 ppm1      0.854 ppm2      7.015 CV     1
 OR { 3369}
   (( segid "B   " and resid 34   and name HD22))
   (  segid "B   " and resid 78   and name HD% )
 OR { 3369}
   (( segid "B   " and resid 34   and name HD21))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 3370}
   (( segid "B   " and resid 34   and name HD23))
   (  segid "B   " and resid 78   and name HE% )
      3.300     1.400     1.400 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.10448E-02 ppm1      0.853 ppm2      6.881 CV     1
 OR { 3370}
   (( segid "B   " and resid 34   and name HD21))
   (  segid "B   " and resid 78   and name HE% )
 OR { 3370}
   (( segid "B   " and resid 34   and name HD22))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 3371}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 31   and name HA  ))
      4.600     2.600     1.400 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.90669E-03 ppm1      0.854 ppm2      4.081 CV     1
 OR { 3371}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 31   and name HA  ))
 OR { 3371}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI { 3372}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.88677E-02 ppm1      0.853 ppm2      3.986 CV     1
 OR { 3372}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3372}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 3374}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.42702E-02 ppm1      0.851 ppm2      2.111 CV     1
 OR { 3374}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 34   and name HB2 ))
 OR { 3374}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI { 3375}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HG  ))
      3.000     1.100     1.100 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.42030E-02 ppm1      0.851 ppm2      2.061 CV     1
 OR { 3375}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name HG  ))
 OR { 3375}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name HG  ))
 ASSI { 3377}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 34   and name HG  ))
      2.000     0.500     0.500 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.10623E-01 ppm1      0.853 ppm2      1.643 CV     1
 OR { 3377}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 3377}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 34   and name HG  ))
 ASSI { 3378}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name HB2 ))
      3.400     1.500     1.500 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.30021E-02 ppm1      0.855 ppm2      1.703 CV     1
 OR { 3378}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 3378}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name HB2 ))
 ASSI { 3379}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.47948E-02 ppm1      0.854 ppm2      1.443 CV     1
 OR { 3379}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 34   and name HB3 ))
 OR { 3379}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 34   and name HB3 ))
 ASSI { 3380}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 70   and name HG13))
      2.800     1.000     1.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.46583E-02 ppm1      0.851 ppm2      1.195 CV     1
 OR { 3380}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 70   and name HG11))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 70   and name HG12))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 70   and name HG13))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 70   and name HG11))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 70   and name HG12))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 70   and name HG13))
 OR { 3380}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 70   and name HG11))
 ASSI { 3381}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HD11))
      2.300     0.700     0.700 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.10810E-01 ppm1      0.853 ppm2      1.039 CV     1
 OR { 3381}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3381}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 38   and name HD22))
 ASSI { 3383}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD11))
      2.800     0.900     0.900 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.67498E-02 ppm1      0.853 ppm2      0.729 CV     1
 OR { 3383}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 29   and name HD11))
 OR { 3383}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 29   and name HD11))
 OR { 3383}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD13))
 OR { 3383}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 29   and name HD13))
 OR { 3383}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD12))
 OR { 3383}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 29   and name HD13))
 ASSI { 3384}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD13))
      3.800     1.800     1.800 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.17636E-02 ppm1      0.853 ppm2      0.553 CV     1
 OR { 3384}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD13))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 62   and name HD13))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD12))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD12))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 62   and name HD11))
 OR { 3384}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 62   and name HD12))
 ASSI { 3385}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD22))
      3.100     1.200     1.200 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.49010E-02 ppm1      0.854 ppm2      0.413 CV     1
 OR { 3385}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD21))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 62   and name HD23))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 62   and name HD22))
 OR { 3385}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 62   and name HD21))
 ASSI { 3387}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 29   and name HD22))
      3.400     1.500     1.500 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.17911E-02 ppm1      0.851 ppm2      0.283 CV     1
 OR { 3387}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3387}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 29   and name HD23))
 ASSI { 3390}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HB3 ))
      2.500     0.800     0.800 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.33316E-02 ppm1      4.080 ppm2      2.513 CV     1
 OR { 3390}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI { 3398}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 35   and name H   ))
      3.500     1.500     1.500 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.10110E-02 ppm1      4.076 ppm2      8.042 CV     1
 ASSI { 3403}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 30   and name H   ))
      3.700     1.700     1.700 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.68670E-03 ppm1      2.520 ppm2      9.615 CV     1
 ASSI { 3404}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 30   and name H   ))
      3.600     1.600     1.600 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.34811E-03 ppm1      2.422 ppm2      9.620 CV     1
 ASSI { 3405}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 33   and name H   ))
      2.900     1.100     1.100 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      2.523 ppm2      8.695 CV     1
 ASSI { 3416}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 35   and name HB3 ))
      3.000     1.100     1.100 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.21294E-02 ppm1      4.153 ppm2      1.383 CV     1
 OR { 3416}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 35   and name HD3 ))
 OR { 3416}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 35   and name HD2 ))
 ASSI { 3417}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.18583E-02 ppm1      4.152 ppm2      1.769 CV     1
 ASSI { 3418}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.14811E-02 ppm1      4.149 ppm2      1.727 CV     1
 ASSI { 3419}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 35   and name HD2 ))
      4.700     2.800     1.300 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.61386E-03 ppm1      4.147 ppm2      1.312 CV     1
 ASSI { 3420}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 35   and name HB3 ))
      3.300     1.300     1.300 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.99080E-03 ppm1      4.147 ppm2      1.258 CV     1
 ASSI { 3427}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 32   and name H   ))
      2.200     0.600     0.600 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.10444E-01 ppm1      3.997 ppm2      7.718 CV     1
 OR { 3427}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 32   and name H   ))
 ASSI { 3428}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 32   and name H   ))
      2.300     0.600     0.600 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.78184E-02 ppm1      4.004 ppm2      7.667 CV     1
 ASSI { 3431}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 31   and name H   ))
      4.400     2.400     1.600 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.84406E-03 ppm1      4.005 ppm2      8.374 CV     1
 OR { 3431}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 31   and name H   ))
 ASSI { 3432}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 31   and name H   ))
      4.400     2.400     1.600 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.77361E-03 ppm1      3.999 ppm2      8.351 CV     1
 OR { 3432}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 31   and name H   ))
 ASSI { 3433}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HB3 ))
      2.300     0.700     0.700 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.81045E-02 ppm1      4.041 ppm2      1.901 CV     1
 OR { 3433}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI { 3434}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HG2 ))
      2.800     1.000     1.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.17705E-02 ppm1      4.040 ppm2      1.569 CV     1
 ASSI { 3436}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HD2 ))
      4.800     2.800     1.200 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.83670E-03 ppm1      4.039 ppm2      1.776 CV     1
 OR { 3436}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HD3 ))
 ASSI { 3437}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name H   ))
      2.700     0.900     0.900 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.23909E-02 ppm1      4.037 ppm2      8.388 CV     1
 ASSI { 3438}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 33   and name H   ))
      3.400     1.500     1.500 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.12397E-02 ppm1      4.035 ppm2      8.683 CV     1
 ASSI { 3440}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 32   and name H   ))
      3.600     1.600     1.600 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.99493E-03 ppm1      4.033 ppm2      7.666 CV     1
 ASSI { 3442}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HD11))
      3.400     1.500     1.500 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.19673E-02 ppm1      4.037 ppm2      0.783 CV     1
 OR { 3442}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 3442}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 3442}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HD23))
 OR { 3442}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HD21))
 ASSI { 3446}
   (( segid "B   " and resid 31   and name HB3 ))
   (( segid "B   " and resid 31   and name HG2 ))
      2.200     0.600     0.600 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.45608E-02 ppm1      1.901 ppm2      1.587 CV     1
 OR { 3446}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 31   and name HG2 ))
 ASSI { 3447}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 31   and name HG3 ))
      2.200     0.600     0.600 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.53108E-02 ppm1      1.903 ppm2      1.496 CV     1
 OR { 3447}
   (( segid "B   " and resid 31   and name HB3 ))
   (( segid "B   " and resid 31   and name HG3 ))
 ASSI { 3452}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      1.499 ppm2      4.050 CV     1
 ASSI { 3454}
   (( segid "A   " and resid 31   and name HD2 ))
   (  segid "A   " and resid 55   and name HD% )
      4.000     2.000     2.000 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      1.774 ppm2      7.218 CV     1
 OR { 3454}
   (( segid "A   " and resid 31   and name HD3 ))
   (  segid "A   " and resid 55   and name HD% )
 OR { 3454}
   (( segid "A   " and resid 31   and name HD2 ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI { 3458}
   (( segid "A   " and resid 31   and name HE2 ))
   (( segid "A   " and resid 31   and name HD3 ))
      2.100     0.500     0.500 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.15880E-01 ppm1      3.027 ppm2      1.787 CV     1
 OR { 3458}
   (( segid "A   " and resid 31   and name HE3 ))
   (( segid "A   " and resid 31   and name HD2 ))
 OR { 3458}
   (( segid "A   " and resid 31   and name HE2 ))
   (( segid "A   " and resid 31   and name HD2 ))
 OR { 3458}
   (( segid "A   " and resid 31   and name HE3 ))
   (( segid "A   " and resid 31   and name HD3 ))
 ASSI { 3459}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name H   ))
      2.600     0.800     0.800 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.20998E-02 ppm1      4.088 ppm2      8.348 CV     1
 ASSI { 3460}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 34   and name H   ))
      3.300     1.300     1.300 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      4.084 ppm2      8.927 CV     1
 ASSI { 3461}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 35   and name H   ))
      3.800     1.800     1.800 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.63533E-03 ppm1      4.093 ppm2      8.029 CV     1
 ASSI { 3462}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 32   and name H   ))
      3.400     1.400     1.400 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.96610E-03 ppm1      4.094 ppm2      7.719 CV     1
 ASSI { 3463}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 34   and name HB2 ))
      2.900     1.100     1.100 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.11755E-02 ppm1      4.086 ppm2      2.114 CV     1
 ASSI { 3465}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HB3 ))
      2.300     0.700     0.700 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.39124E-02 ppm1      4.083 ppm2      1.905 CV     1
 OR { 3465}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HB2 ))
 ASSI { 3466}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HD2 ))
      4.500     2.500     1.500 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.76276E-03 ppm1      4.086 ppm2      1.774 CV     1
 OR { 3466}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HD3 ))
 ASSI { 3468}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HG3 ))
      3.200     1.300     1.300 peak  3468 spectrum    1 weight  0.10000E+01 volume  0.14629E-02 ppm1      4.086 ppm2      1.499 CV     1
 ASSI { 3470}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 34   and name HB3 ))
      4.200     2.200     1.800 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.78423E-03 ppm1      4.086 ppm2      1.443 CV     1
 ASSI { 3471}
   (( segid "B   " and resid 31   and name HG2 ))
   (( segid "B   " and resid 31   and name H   ))
      3.300     1.400     1.400 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      1.584 ppm2      8.345 CV     1
 ASSI { 3472}
   (( segid "B   " and resid 31   and name HG3 ))
   (( segid "B   " and resid 31   and name H   ))
      2.300     0.600     0.600 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      1.502 ppm2      8.345 CV     1
 ASSI { 3474}
   (( segid "B   " and resid 31   and name HG2 ))
   (( segid "B   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.18990E-02 ppm1      1.588 ppm2      4.084 CV     1
 ASSI { 3475}
   (( segid "B   " and resid 31   and name HD3 ))
   (( segid "B   " and resid 32   and name H   ))
      2.700     2.700     3.300 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.83408E-03 ppm1      1.774 ppm2      7.711 CV     1
 ASSI { 3478}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 69   and name HG3 ))
      4.200     2.200     1.800 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.12390E-02 ppm1      4.803 ppm2      2.193 CV     1
 ASSI { 3488}
   (( segid "B   " and resid 30   and name HB2 ))
   (( segid "B   " and resid 30   and name HD21))
      3.200     1.300     1.300 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.94812E-03 ppm1      3.478 ppm2      7.608 CV     1
 ASSI { 3491}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 31   and name H   ))
      3.500     1.600     1.600 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      3.040 ppm2      8.382 CV     1
 ASSI { 3497}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 30   and name H   ))
      2.400     0.700     0.700 peak  3497 spectrum    1 weight  0.10000E+01 volume  0.22131E-02 ppm1      5.285 ppm2      9.597 CV     1
 ASSI { 3498}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name H   ))
      3.100     1.200     1.200 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.87224E-03 ppm1      5.287 ppm2      9.662 CV     1
 ASSI { 3499}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 30   and name H   ))
      2.300     0.700     0.700 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.26661E-02 ppm1      5.253 ppm2      9.639 CV     1
 ASSI { 3503}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.80874E-03 ppm1      5.289 ppm2      2.146 CV     1
 ASSI { 3513}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 70   and name H   ))
      4.200     2.200     1.800 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.82023E-03 ppm1      0.769 ppm2      9.994 CV     1
 OR { 3513}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 70   and name H   ))
 OR { 3513}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 70   and name H   ))
 ASSI { 3515}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name H   ))
      4.800     2.800     1.200 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.92035E-03 ppm1      0.736 ppm2      8.925 CV     1
 OR { 3515}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name H   ))
 OR { 3515}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name H   ))
 ASSI { 3516}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 70   and name H   ))
      4.400     2.400     1.600 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.72854E-03 ppm1      0.728 ppm2     10.042 CV     1
 OR { 3516}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 70   and name H   ))
 OR { 3516}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 70   and name H   ))
 ASSI { 3517}
   (( segid "A   " and resid 29   and name HD11))
   (  segid "A   " and resid 75   and name HD% )
      2.700     0.900     0.900 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.40555E-02 ppm1      0.768 ppm2      6.924 CV     1
 OR { 3517}
   (( segid "A   " and resid 29   and name HD13))
   (  segid "A   " and resid 75   and name HD% )
 OR { 3517}
   (( segid "A   " and resid 29   and name HD12))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 3518}
   (( segid "B   " and resid 29   and name HD11))
   (  segid "B   " and resid 75   and name HD% )
      2.800     1.000     1.000 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.33813E-02 ppm1      0.730 ppm2      6.904 CV     1
 OR { 3518}
   (( segid "B   " and resid 29   and name HD13))
   (  segid "B   " and resid 75   and name HD% )
 OR { 3518}
   (( segid "B   " and resid 29   and name HD12))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 3519}
   (( segid "A   " and resid 29   and name HD13))
   (  segid "A   " and resid 27   and name HD% )
      4.400     2.400     1.600 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.78401E-03 ppm1      0.766 ppm2      7.466 CV     1
 OR { 3519}
   (( segid "A   " and resid 29   and name HD12))
   (  segid "A   " and resid 27   and name HD% )
 OR { 3519}
   (( segid "A   " and resid 29   and name HD11))
   (  segid "A   " and resid 27   and name HD% )
 ASSI { 3520}
   (( segid "B   " and resid 29   and name HD13))
   (  segid "B   " and resid 27   and name HD% )
      2.600     2.600     3.400 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.99448E-03 ppm1      0.731 ppm2      7.488 CV     1
 OR { 3520}
   (( segid "B   " and resid 29   and name HD12))
   (  segid "B   " and resid 27   and name HD% )
 OR { 3520}
   (( segid "B   " and resid 29   and name HD11))
   (  segid "B   " and resid 27   and name HD% )
 ASSI { 3521}
   (( segid "A   " and resid 29   and name HD11))
   (  segid "A   " and resid 75   and name HE% )
      3.000     1.200     1.200 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.83583E-03 ppm1      0.767 ppm2      6.712 CV     1
 OR { 3521}
   (( segid "A   " and resid 29   and name HD13))
   (  segid "A   " and resid 75   and name HE% )
 OR { 3521}
   (( segid "A   " and resid 29   and name HD12))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 3522}
   (( segid "B   " and resid 29   and name HD11))
   (  segid "B   " and resid 75   and name HE% )
      3.300     1.300     1.300 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.74068E-03 ppm1      0.729 ppm2      6.655 CV     1
 OR { 3522}
   (( segid "B   " and resid 29   and name HD13))
   (  segid "B   " and resid 75   and name HE% )
 OR { 3522}
   (( segid "B   " and resid 29   and name HD12))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 3523}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.11917E-02 ppm1      0.768 ppm2      5.250 CV     1
 OR { 3523}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 29   and name HA  ))
 OR { 3523}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 29   and name HA  ))
 ASSI { 3524}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      0.728 ppm2      5.291 CV     1
 OR { 3524}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HA  ))
 OR { 3524}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HA  ))
 ASSI { 3525}
   (( segid "A   " and resid 29   and name HD12))
   (  segid "A   " and resid 16   and name HD% )
      2.900     1.100     1.100 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.16981E-02 ppm1      0.769 ppm2      5.620 CV     1
 OR { 3525}
   (( segid "A   " and resid 29   and name HD13))
   (  segid "A   " and resid 16   and name HD% )
 OR { 3525}
   (( segid "A   " and resid 29   and name HD11))
   (  segid "A   " and resid 16   and name HD% )
 ASSI { 3526}
   (( segid "B   " and resid 29   and name HD12))
   (  segid "B   " and resid 16   and name HD% )
      3.100     1.200     1.200 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.14707E-02 ppm1      0.729 ppm2      5.622 CV     1
 OR { 3526}
   (( segid "B   " and resid 29   and name HD13))
   (  segid "B   " and resid 16   and name HD% )
 OR { 3526}
   (( segid "B   " and resid 29   and name HD11))
   (  segid "B   " and resid 16   and name HD% )
 ASSI { 3527}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 29   and name H   ))
      3.000     1.100     1.100 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.20542E-02 ppm1      0.768 ppm2      9.662 CV     1
 OR { 3527}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 29   and name H   ))
 OR { 3527}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 29   and name H   ))
 ASSI { 3528}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name H   ))
      3.000     1.100     1.100 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.19311E-02 ppm1      0.730 ppm2      9.671 CV     1
 OR { 3528}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name H   ))
 OR { 3528}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name H   ))
 ASSI { 3529}
   (( segid "A   " and resid 29   and name HD13))
   (  segid "A   " and resid 72   and name HE% )
      3.600     1.600     1.600 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.83105E-03 ppm1      0.770 ppm2      6.990 CV     1
 OR { 3529}
   (( segid "A   " and resid 29   and name HD12))
   (  segid "A   " and resid 72   and name HE% )
 OR { 3529}
   (( segid "A   " and resid 29   and name HD11))
   (  segid "A   " and resid 72   and name HE% )
 ASSI { 3530}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 16   and name H   ))
      4.500     2.500     1.500 peak  3530 spectrum    1 weight  0.10000E+01 volume  0.74155E-03 ppm1      0.729 ppm2      6.971 CV     1
 OR { 3530}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 16   and name H   ))
 OR { 3530}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 16   and name H   ))
 ASSI { 3532}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.17449E-02 ppm1      0.769 ppm2      3.958 CV     1
 OR { 3532}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 3532}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 3536}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 75   and name HB3 ))
      3.700     1.700     1.700 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.13112E-02 ppm1      0.764 ppm2      3.032 CV     1
 OR { 3536}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 3536}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 75   and name HB3 ))
 ASSI { 3539}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 29   and name HB2 ))
      2.300     0.700     0.700 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.35331E-02 ppm1      0.768 ppm2      2.164 CV     1
 OR { 3539}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 29   and name HB2 ))
 OR { 3539}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 29   and name HB2 ))
 ASSI { 3543}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 29   and name HG  ))
      1.900     0.500     0.500 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.96329E-02 ppm1      0.768 ppm2      1.194 CV     1
 OR { 3543}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 3543}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 29   and name HG  ))
 ASSI { 3544}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 29   and name HB3 ))
      3.000     1.100     1.100 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.37933E-02 ppm1      0.768 ppm2      1.246 CV     1
 OR { 3544}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 29   and name HB3 ))
 OR { 3544}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI { 3545}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 37   and name HD13))
      2.700     0.900     0.900 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.56769E-02 ppm1      0.768 ppm2      0.892 CV     1
 OR { 3545}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3545}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 37   and name HD11))
 ASSI { 3547}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HD22))
      2.300     0.700     0.700 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.92403E-02 ppm1      0.729 ppm2      0.278 CV     1
 OR { 3547}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3547}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 3550}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HG  ))
      2.000     0.500     0.500 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.79682E-02 ppm1      0.730 ppm2      1.194 CV     1
 OR { 3550}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HG  ))
 OR { 3550}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HG  ))
 ASSI { 3551}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HB3 ))
      3.100     1.200     1.200 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.35224E-02 ppm1      0.729 ppm2      1.250 CV     1
 OR { 3551}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HB3 ))
 OR { 3551}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HB3 ))
 ASSI { 3553}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HG  ))
      4.000     2.000     2.000 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.84861E-03 ppm1      0.728 ppm2      1.646 CV     1
 OR { 3553}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 3553}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HG  ))
 ASSI { 3555}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 29   and name HB2 ))
      2.300     0.700     0.700 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.38043E-02 ppm1      0.729 ppm2      2.139 CV     1
 OR { 3555}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 29   and name HB2 ))
 OR { 3555}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI { 3556}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 75   and name HB3 ))
      4.500     2.500     1.500 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.86140E-03 ppm1      0.728 ppm2      2.993 CV     1
 OR { 3556}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 75   and name HB3 ))
 OR { 3556}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 75   and name HB3 ))
 ASSI { 3558}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.99493E-03 ppm1      0.731 ppm2      3.607 CV     1
 OR { 3558}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 16   and name HA  ))
 OR { 3558}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 16   and name HA  ))
 ASSI { 3559}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HA  ))
      3.500     1.600     1.600 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.22196E-02 ppm1      0.730 ppm2      3.986 CV     1
 OR { 3559}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3559}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 3560}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      0.282 ppm2      5.279 CV     1
 OR { 3560}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 29   and name HA  ))
 OR { 3560}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 29   and name HA  ))
 ASSI { 3564}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      0.284 ppm2      3.612 CV     1
 OR { 3564}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 16   and name HA  ))
 OR { 3564}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 16   and name HA  ))
 ASSI { 3568}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 29   and name H   ))
      2.600     0.800     0.800 peak  3568 spectrum    1 weight  0.10000E+01 volume  0.26683E-02 ppm1      5.154 ppm2      9.668 CV     1
 ASSI { 3569}
   (( segid "B   " and resid 28   and name HA  ))
   (  segid "B   " and resid 27   and name HD% )
      3.100     1.200     1.200 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.19404E-02 ppm1      5.151 ppm2      7.476 CV     1
 ASSI { 3571}
   (( segid "B   " and resid 28   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
      4.000     2.000     2.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.86052E-03 ppm1      5.151 ppm2      6.917 CV     1
 ASSI { 3572}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.70339E-03 ppm1      5.176 ppm2      6.903 CV     1
 ASSI { 3574}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 27   and name HD% )
      3.300     1.400     1.400 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.15100E-02 ppm1      5.170 ppm2      7.487 CV     1
 ASSI { 3575}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 29   and name H   ))
      2.600     0.900     0.900 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.21000E-02 ppm1      5.174 ppm2      9.665 CV     1
 ASSI { 3576}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.80745E-03 ppm1      5.148 ppm2      2.159 CV     1
 ASSI { 3578}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HG2 ))
      2.900     1.100     1.100 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.18340E-02 ppm1      1.750 ppm2      1.512 CV     1
 OR { 3578}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI { 3579}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HG2 ))
      3.300     1.400     1.400 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.13227E-02 ppm1      1.712 ppm2      1.509 CV     1
 OR { 3579}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HD3 ))
 ASSI { 3582}
   (( segid "A   " and resid 87   and name HB3 ))
   (( segid "A   " and resid 87   and name HB2 ))
      2.200     0.600     0.600 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.20382E-02 ppm1      1.772 ppm2      2.388 CV     1
 ASSI { 3583}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.63381E-03 ppm1      1.721 ppm2      5.175 CV     1
 OR { 3583}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI { 3584}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.95980E-03 ppm1      1.751 ppm2      5.163 CV     1
 OR { 3584}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI { 3590}
   (( segid "B   " and resid 18   and name HD2 ))
   (( segid "B   " and resid 18   and name HG3 ))
      2.600     0.800     0.800 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      1.731 ppm2      0.722 CV     1
 ASSI { 3595}
   (( segid "A   " and resid 28   and name HD2 ))
   (( segid "A   " and resid 69   and name HG2 ))
      4.000     2.000     2.000 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.11822E-02 ppm1      1.722 ppm2      2.132 CV     1
 ASSI { 3597}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 20   and name HB2 ))
      3.500     3.500     2.500 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.18841E-02 ppm1      1.513 ppm2      3.082 CV     1
 ASSI { 3611}
   (( segid "B   " and resid 27   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
      4.200     2.200     1.800 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.11027E-02 ppm1      4.845 ppm2      6.901 CV     1
 ASSI { 3612}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.37781E-02 ppm1      4.847 ppm2      3.774 CV     1
 ASSI { 3621}
   (( segid "A   " and resid 55   and name HB2 ))
   (( segid "A   " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      3.172 ppm2      4.250 CV     1
 ASSI { 3638}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 26   and name HB3 ))
      1.700     0.400     0.500 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.10333E-01 ppm1      1.591 ppm2      1.431 CV     1
 ASSI { 3642}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.35266E-02 ppm1      1.591 ppm2      4.413 CV     1
 ASSI { 3645}
   (( segid "B   " and resid 26   and name HB2 ))
   (  segid "B   " and resid 27   and name HD% )
      3.900     1.900     1.900 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.70035E-03 ppm1      1.592 ppm2      7.497 CV     1
 ASSI { 3647}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 26   and name H   ))
      2.900     1.100     1.100 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.20401E-02 ppm1      1.431 ppm2      9.338 CV     1
 ASSI { 3653}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HB2 ))
      1.700     0.400     0.500 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.10296E-01 ppm1      1.431 ppm2      1.595 CV     1
 ASSI { 3656}
   (( segid "B   " and resid 26   and name HG2 ))
   (( segid "B   " and resid 26   and name HA  ))
      3.300     1.400     1.400 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.33206E-02 ppm1      1.304 ppm2      4.413 CV     1
 ASSI { 3671}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 28   and name H   ))
      4.900     3.000     1.100 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.37500E-03 ppm1      1.633 ppm2      7.219 CV     1
 OR { 3671}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 28   and name H   ))
 ASSI { 3682}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.25231E-02 ppm1      4.489 ppm2      2.889 CV     1
 ASSI { 3683}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 25   and name HB3 ))
      2.700     0.900     0.900 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.32341E-02 ppm1      4.490 ppm2      2.707 CV     1
 ASSI { 3686}
   (( segid "A   " and resid 25   and name HB2 ))
   (( segid "A   " and resid 25   and name HA  ))
      3.500     1.500     1.500 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.13974E-02 ppm1      2.889 ppm2      4.489 CV     1
 ASSI { 3691}
   (( segid "A   " and resid 25   and name HB3 ))
   (( segid "A   " and resid 26   and name H   ))
      3.600     1.700     1.700 peak  3691 spectrum    1 weight  0.10000E+01 volume  0.68237E-03 ppm1      2.709 ppm2      9.332 CV     1
 ASSI { 3699}
   (( segid "B   " and resid 24   and name HA2 ))
   (( segid "B   " and resid 25   and name H   ))
      4.100     2.100     1.900 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.14744E-02 ppm1      3.949 ppm2      8.611 CV     1
 ASSI { 3708}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 24   and name H   ))
      3.800     1.800     1.800 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.87399E-03 ppm1      1.980 ppm2      8.993 CV     1
 ASSI { 3740}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HE2 ))
      4.300     2.300     1.700 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.86227E-03 ppm1      4.000 ppm2      3.046 CV     1
 OR { 3740}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 3750}
   (( segid "B   " and resid 22   and name HB3 ))
   (( segid "B   " and resid 22   and name HE3 ))
      4.400     2.400     1.600 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      2.035 ppm2      3.035 CV     1
 ASSI { 3751}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 22   and name HE2 ))
      3.900     1.900     1.900 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.59197E-03 ppm1      2.199 ppm2      3.035 CV     1
 OR { 3751}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 22   and name HE3 ))
 ASSI { 3754}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 23   and name H   ))
      4.200     2.200     1.800 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      1.752 ppm2      9.614 CV     1
 ASSI { 3755}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 23   and name H   ))
      4.300     2.300     1.700 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.99319E-03 ppm1      1.721 ppm2      9.608 CV     1
 ASSI { 3756}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name H   ))
      3.800     1.800     1.800 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.30823E-02 ppm1      1.743 ppm2      7.244 CV     1
 ASSI { 3757}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name H   ))
      3.700     1.700     1.700 peak  3757 spectrum    1 weight  0.10000E+01 volume  0.34269E-02 ppm1      1.717 ppm2      7.231 CV     1
 ASSI { 3759}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.17068E-02 ppm1      1.747 ppm2      4.341 CV     1
 ASSI { 3760}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.16474E-02 ppm1      1.719 ppm2      4.354 CV     1
 ASSI { 3761}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak  3761 spectrum    1 weight  0.10000E+01 volume  0.18836E-02 ppm1      1.747 ppm2      4.002 CV     1
 ASSI { 3762}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name HA  ))
      3.300     1.300     1.300 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      1.719 ppm2      3.994 CV     1
 ASSI { 3763}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HE2 ))
      3.600     1.700     1.700 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.14447E-02 ppm1      1.741 ppm2      3.036 CV     1
 OR { 3763}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HE3 ))
 ASSI { 3764}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name HE2 ))
      3.600     1.600     1.600 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.16012E-02 ppm1      1.724 ppm2      3.053 CV     1
 OR { 3764}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 3765}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.21914E-02 ppm1      1.743 ppm2      2.197 CV     1
 ASSI { 3767}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.28829E-02 ppm1      2.193 ppm2      4.338 CV     1
 ASSI { 3768}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.26076E-02 ppm1      2.176 ppm2      4.351 CV     1
 ASSI { 3769}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.26250E-02 ppm1      1.726 ppm2      2.177 CV     1
 ASSI { 3770}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HG3 ))
      1.800     0.400     0.400 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.77187E-02 ppm1      1.748 ppm2      1.468 CV     1
 ASSI { 3771}
   (( segid "A   " and resid 22   and name HG2 ))
   (( segid "A   " and resid 22   and name HG3 ))
      1.700     0.400     0.500 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.97585E-02 ppm1      1.721 ppm2      1.482 CV     1
 ASSI { 3779}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 22   and name HE2 ))
      3.000     1.100     1.100 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      1.473 ppm2      3.040 CV     1
 ASSI { 3806}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.15245E-02 ppm1      3.570 ppm2      2.271 CV     1
 ASSI { 3807}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      3.570 ppm2      3.114 CV     1
 ASSI { 3808}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      3.547 ppm2      2.177 CV     1
 ASSI { 3809}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.14733E-02 ppm1      3.549 ppm2      3.085 CV     1
 ASSI { 3810}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 29   and name HD21))
      3.200     1.300     1.300 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.38931E-02 ppm1      3.569 ppm2      0.275 CV     1
 OR { 3810}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3810}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 3813}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.66807E-03 ppm1      3.574 ppm2      5.292 CV     1
 ASSI { 3814}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  3814 spectrum    1 weight  0.10000E+01 volume  0.70339E-03 ppm1      3.545 ppm2      5.257 CV     1
 ASSI { 3819}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 20   and name HB3 ))
      2.300     0.700     0.700 peak  3819 spectrum    1 weight  0.10000E+01 volume  0.88480E-03 ppm1      3.072 ppm2      2.172 CV     1
 ASSI { 3820}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 20   and name HB3 ))
      2.200     0.600     0.600 peak  3820 spectrum    1 weight  0.10000E+01 volume  0.10749E-02 ppm1      3.108 ppm2      2.269 CV     1
 ASSI { 3822}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 29   and name HD21))
      5.100     3.300     0.900 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.73199E-03 ppm1      3.073 ppm2      0.293 CV     1
 OR { 3822}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3822}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 29   and name HD23))
 ASSI { 3823}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 29   and name HD21))
      5.100     3.200     0.900 peak  3823 spectrum    1 weight  0.10000E+01 volume  0.78165E-03 ppm1      3.101 ppm2      0.281 CV     1
 OR { 3823}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3823}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 29   and name HD23))
 ASSI { 3829}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 29   and name HD21))
      4.300     2.300     1.700 peak  3829 spectrum    1 weight  0.10000E+01 volume  0.65115E-03 ppm1      2.169 ppm2      0.291 CV     1
 OR { 3829}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3829}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 29   and name HD23))
 ASSI { 3832}
   (( segid "B   " and resid 20   and name HB3 ))
   (( segid "B   " and resid 29   and name HD21))
      4.400     2.400     1.600 peak  3832 spectrum    1 weight  0.10000E+01 volume  0.54602E-03 ppm1      2.272 ppm2      0.278 CV     1
 OR { 3832}
   (( segid "B   " and resid 20   and name HB3 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3832}
   (( segid "B   " and resid 20   and name HB3 ))
   (( segid "B   " and resid 29   and name HD23))
 ASSI { 3833}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 29   and name HD21))
      4.300     2.300     1.700 peak  3833 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      4.357 ppm2      0.287 CV     1
 OR { 3833}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3833}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 29   and name HD22))
 ASSI { 3836}
   (( segid "B   " and resid 19   and name HA  ))
   (  segid "B   " and resid 19   and name HD% )
      2.900     1.000     1.000 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.30346E-02 ppm1      4.345 ppm2      7.413 CV     1
 ASSI { 3837}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name H   ))
      3.800     1.800     1.800 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.78640E-03 ppm1      4.340 ppm2      7.239 CV     1
 ASSI { 3838}
   (( segid "B   " and resid 19   and name HA  ))
   (  segid "B   " and resid 19   and name HE% )
      3.500     1.600     1.600 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.25448E-02 ppm1      4.343 ppm2      6.845 CV     1
 ASSI { 3846}
   (( segid "B   " and resid 78   and name HA  ))
   (  segid "C   " and resid 1917  and name HD1%)
      2.500     0.800     0.800 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.30368E-02 ppm1      4.338 ppm2      1.186 CV     1
 ASSI { 3853}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HD2 ))
      2.900     1.100     1.100 peak  3853 spectrum    1 weight  0.10000E+01 volume  0.16523E-02 ppm1      4.336 ppm2      1.911 CV     1
 ASSI { 3871}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 18   and name HG3 ))
      2.800     0.900     0.900 peak  3871 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      1.917 ppm2      0.720 CV     1
 ASSI { 3872}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HG3 ))
      3.400     1.500     1.500 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.13593E-02 ppm1      1.884 ppm2      0.725 CV     1
 ASSI { 3873}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HG2 ))
      2.800     1.000     1.000 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      1.886 ppm2      1.373 CV     1
 ASSI { 3874}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 18   and name HG2 ))
      3.400     1.400     1.400 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.15470E-02 ppm1      1.917 ppm2      1.378 CV     1
 ASSI { 3876}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HE3 ))
      4.300     2.300     1.700 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.94508E-03 ppm1      1.885 ppm2      2.946 CV     1
 OR { 3876}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HE2 ))
 ASSI { 3879}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 19   and name H   ))
      2.900     1.000     1.000 peak  3879 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      1.883 ppm2      6.844 CV     1
 OR { 3879}
   (( segid "B   " and resid 18   and name HB3 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3880}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 18   and name H   ))
      2.700     0.900     0.900 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.23367E-02 ppm1      1.912 ppm2      7.916 CV     1
 ASSI { 3881}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name H   ))
      2.800     1.000     1.000 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.18414E-02 ppm1      1.881 ppm2      7.908 CV     1
 ASSI { 3883}
   (( segid "A   " and resid 18   and name HD2 ))
   (( segid "A   " and resid 18   and name HG3 ))
      2.600     0.800     0.800 peak  3883 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.746 ppm2      0.834 CV     1
 ASSI { 3884}
   (( segid "A   " and resid 18   and name HD3 ))
   (( segid "A   " and resid 18   and name HG3 ))
      3.200     1.200     1.200 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.25209E-02 ppm1      1.686 ppm2      0.835 CV     1
 ASSI { 3885}
   (( segid "B   " and resid 18   and name HD3 ))
   (( segid "B   " and resid 18   and name HG3 ))
      3.300     1.300     1.300 peak  3885 spectrum    1 weight  0.10000E+01 volume  0.21108E-02 ppm1      1.664 ppm2      0.721 CV     1
 ASSI { 3886}
   (( segid "A   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 18   and name HG3 ))
      2.700     0.900     0.900 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.17579E-02 ppm1      1.913 ppm2      0.855 CV     1
 ASSI { 3887}
   (( segid "A   " and resid 18   and name HB3 ))
   (( segid "A   " and resid 18   and name HG3 ))
      3.400     1.400     1.400 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.14696E-02 ppm1      1.813 ppm2      0.833 CV     1
 ASSI { 3888}
   (( segid "A   " and resid 18   and name HB3 ))
   (( segid "A   " and resid 18   and name HE3 ))
      4.400     2.500     1.600 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.95570E-03 ppm1      1.815 ppm2      2.958 CV     1
 ASSI { 3889}
   (( segid "A   " and resid 18   and name HB3 ))
   (( segid "A   " and resid 19   and name H   ))
      2.900     1.100     1.100 peak  3889 spectrum    1 weight  0.10000E+01 volume  0.11042E-02 ppm1      1.810 ppm2      6.867 CV     1
 ASSI { 3890}
   (( segid "A   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 18   and name H   ))
      2.700     0.900     0.900 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.24624E-02 ppm1      1.914 ppm2      7.777 CV     1
 ASSI { 3891}
   (( segid "A   " and resid 18   and name HB3 ))
   (( segid "A   " and resid 18   and name H   ))
      2.700     0.900     0.900 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.21058E-02 ppm1      1.817 ppm2      7.774 CV     1
 ASSI { 3894}
   (( segid "A   " and resid 18   and name HB3 ))
   (  segid "A   " and resid 19   and name HD% )
      2.900     1.100     1.100 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.87551E-03 ppm1      1.806 ppm2      7.393 CV     1
 ASSI { 3900}
   (( segid "B   " and resid 18   and name HE3 ))
   (( segid "B   " and resid 18   and name H   ))
      5.500     3.700     0.500 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.78901E-03 ppm1      2.951 ppm2      7.917 CV     1
 OR { 3900}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name H   ))
 ASSI { 3902}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HA  ))
      4.200     2.200     1.800 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.21604E-02 ppm1      2.963 ppm2      4.001 CV     1
 OR { 3902}
   (( segid "A   " and resid 18   and name HE2 ))
   (( segid "A   " and resid 18   and name HA  ))
 ASSI { 3903}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HG3 ))
      2.400     0.700     0.700 peak  3903 spectrum    1 weight  0.10000E+01 volume  0.61018E-02 ppm1      2.965 ppm2      0.835 CV     1
 ASSI { 3904}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name HG3 ))
      2.900     1.100     1.100 peak  3904 spectrum    1 weight  0.10000E+01 volume  0.52869E-02 ppm1      2.945 ppm2      0.722 CV     1
 ASSI { 3905}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HG2 ))
      2.400     0.700     0.700 peak  3905 spectrum    1 weight  0.10000E+01 volume  0.57876E-02 ppm1      2.963 ppm2      1.440 CV     1
 ASSI { 3906}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name HG2 ))
      2.600     0.900     0.900 peak  3906 spectrum    1 weight  0.10000E+01 volume  0.52804E-02 ppm1      2.943 ppm2      1.375 CV     1
 ASSI { 3910}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 18   and name HG3 ))
      2.900     1.100     1.100 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      3.993 ppm2      0.833 CV     1
 ASSI { 3911}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 18   and name HG2 ))
      3.100     1.200     1.200 peak  3911 spectrum    1 weight  0.10000E+01 volume  0.23909E-02 ppm1      3.991 ppm2      1.442 CV     1
 ASSI { 3912}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 18   and name HB2 ))
      2.300     0.700     0.700 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.56291E-02 ppm1      3.990 ppm2      1.912 CV     1
 ASSI { 3913}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 18   and name HB3 ))
      3.000     1.100     1.100 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.31604E-02 ppm1      3.989 ppm2      1.818 CV     1
 ASSI { 3915}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 19   and name H   ))
      3.400     1.500     1.500 peak  3915 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      3.994 ppm2      6.880 CV     1
 ASSI { 3916}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name H   ))
      2.900     1.100     1.100 peak  3916 spectrum    1 weight  0.10000E+01 volume  0.14744E-02 ppm1      4.865 ppm2      7.046 CV     1
 ASSI { 3917}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 20   and name H   ))
      3.500     1.500     1.500 peak  3917 spectrum    1 weight  0.10000E+01 volume  0.14534E-02 ppm1      4.865 ppm2      8.532 CV     1
 ASSI { 3918}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 18   and name H   ))
      3.400     1.400     1.400 peak  3918 spectrum    1 weight  0.10000E+01 volume  0.91625E-03 ppm1      4.870 ppm2      7.913 CV     1
 ASSI { 3919}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.19066E-02 ppm1      4.866 ppm2      3.330 CV     1
 ASSI { 3920}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HB3 ))
      2.900     1.100     1.100 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.16613E-02 ppm1      4.860 ppm2      2.881 CV     1
 ASSI { 3921}
   (( segid "B   " and resid 17   and name HB2 ))
   (( segid "B   " and resid 17   and name H   ))
      3.000     1.100     1.100 peak  3921 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      3.324 ppm2      7.051 CV     1
 ASSI { 3922}
   (( segid "B   " and resid 17   and name HB2 ))
   (  segid "A   " and resid 90   and name HE% )
      3.700     1.700     1.700 peak  3922 spectrum    1 weight  0.10000E+01 volume  0.74739E-03 ppm1      3.329 ppm2      7.145 CV     1
 ASSI { 3926}
   (( segid "B   " and resid 17   and name HB2 ))
   (( segid "B   " and resid 17   and name HB3 ))
      2.300     0.700     0.700 peak  3926 spectrum    1 weight  0.10000E+01 volume  0.24385E-02 ppm1      3.332 ppm2      2.879 CV     1
 ASSI { 3928}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 20   and name H   ))
      3.500     1.600     1.600 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.13201E-02 ppm1      4.816 ppm2      8.338 CV     1
 ASSI { 3929}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 18   and name H   ))
      3.300     1.400     1.400 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.99903E-03 ppm1      4.814 ppm2      7.779 CV     1
 ASSI { 3930}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name H   ))
      2.800     1.000     1.000 peak  3930 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      4.813 ppm2      7.001 CV     1
 ASSI { 3931}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.18000E-02 ppm1      4.812 ppm2      3.410 CV     1
 ASSI { 3932}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 20   and name HB2 ))
      3.800     1.800     1.800 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1      4.801 ppm2      3.060 CV     1
 ASSI { 3933}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name HB3 ))
      2.900     1.000     1.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.18429E-02 ppm1      4.812 ppm2      2.949 CV     1
 ASSI { 3934}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 17   and name H   ))
      3.000     1.100     1.100 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      3.408 ppm2      6.992 CV     1
 ASSI { 3938}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 17   and name HB3 ))
      2.300     0.700     0.700 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      3.401 ppm2      2.958 CV     1
 ASSI { 3940}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.12592E-02 ppm1      3.625 ppm2      3.123 CV     1
 ASSI { 3941}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB3 ))
      3.200     1.300     1.300 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      3.622 ppm2      2.594 CV     1
 ASSI { 3942}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.13998E-02 ppm1      3.583 ppm2      2.603 CV     1
 ASSI { 3943}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.11367E-02 ppm1      3.577 ppm2      3.049 CV     1
 ASSI { 3944}
   (( segid "B   " and resid 16   and name HA  ))
   (  segid "B   " and resid 16   and name HD% )
      3.200     1.300     1.300 peak  3944 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      3.626 ppm2      5.628 CV     1
 ASSI { 3945}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name H   ))
      2.900     1.100     1.100 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.20317E-02 ppm1      3.624 ppm2      6.992 CV     1
 ASSI { 3946}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name H   ))
      3.700     1.800     1.800 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.10931E-02 ppm1      3.624 ppm2      7.045 CV     1
 ASSI { 3948}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 17   and name H   ))
      3.700     1.700     1.700 peak  3948 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      3.580 ppm2      6.999 CV     1
 ASSI { 3949}
   (( segid "A   " and resid 16   and name HA  ))
   (  segid "A   " and resid 16   and name HD% )
      3.300     1.300     1.300 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.10905E-02 ppm1      3.583 ppm2      5.637 CV     1
 ASSI { 3950}
   (( segid "B   " and resid 16   and name HA  ))
   (  segid "B   " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.69406E-03 ppm1      3.630 ppm2      6.649 CV     1
 ASSI { 3951}
   (( segid "A   " and resid 16   and name HA  ))
   (  segid "A   " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.59717E-03 ppm1      3.580 ppm2      6.692 CV     1
 ASSI { 3952}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 19   and name H   ))
      3.600     1.600     1.600 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.63575E-03 ppm1      3.576 ppm2      6.889 CV     1
 ASSI { 3955}
   (( segid "B   " and resid 16   and name HB2 ))
   (( segid "B   " and resid 16   and name H   ))
      2.700     0.900     0.900 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.14074E-02 ppm1      3.126 ppm2      6.992 CV     1
 ASSI { 3958}
   (( segid "B   " and resid 45   and name HB3 ))
   (( segid "B   " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      3.111 ppm2      3.408 CV     1
 ASSI { 3959}
   (( segid "B   " and resid 16   and name HB2 ))
   (( segid "B   " and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      3.122 ppm2      2.590 CV     1
 ASSI { 3966}
   (( segid "A   " and resid 16   and name HB2 ))
   (  segid "A   " and resid 16   and name HD% )
      3.200     1.300     1.300 peak  3966 spectrum    1 weight  0.10000E+01 volume  0.74478E-03 ppm1      3.049 ppm2      5.617 CV     1
 ASSI { 3967}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 17   and name H   ))
      4.000     2.000     2.000 peak  3967 spectrum    1 weight  0.10000E+01 volume  0.15100E-02 ppm1      3.050 ppm2      6.996 CV     1
 ASSI { 3968}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.87744E-03 ppm1      3.042 ppm2      2.602 CV     1
 ASSI { 3969}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      3.000     1.100     1.100 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.16792E-02 ppm1      4.396 ppm2      4.004 CV     1
 ASSI { 3970}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 15   and name HB  ))
      3.000     1.200     1.200 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      4.433 ppm2      4.016 CV     1
 ASSI { 3986}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "B   " and resid 5    and name HD22))
      4.700     2.800     1.300 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.60282E-03 ppm1      4.432 ppm2      1.100 CV     1
 OR { 3986}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 3986}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "B   " and resid 5    and name HD21))
 ASSI { 3987}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "A   " and resid 5    and name HD22))
      4.800     2.800     1.200 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.59458E-03 ppm1      4.413 ppm2      1.062 CV     1
 OR { 3987}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3987}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "A   " and resid 5    and name HD21))
 ASSI { 3988}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 5    and name HD22))
      2.600     0.800     0.800 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.12865E-01 ppm1      1.521 ppm2      1.051 CV     1
 OR { 3988}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "A   " and resid 5    and name HD22))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "A   " and resid 5    and name HD22))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "A   " and resid 5    and name HD21))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 5    and name HD21))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "A   " and resid 5    and name HD21))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "A   " and resid 5    and name HD11))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "A   " and resid 5    and name HD12))
 OR { 3988}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 5    and name HD11))
 ASSI { 3989}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD11))
      2.300     0.700     0.700 peak  3989 spectrum    1 weight  0.10000E+01 volume  0.92665E-02 ppm1      1.521 ppm2      0.916 CV     1
 OR { 3989}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3989}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD13))
 ASSI { 3990}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD22))
      3.000     1.200     1.200 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.51438E-02 ppm1      1.519 ppm2      0.854 CV     1
 OR { 3990}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD22))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 37   and name HD22))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name HD23))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3990}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name HD23))
 ASSI { 3992}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.54212E-02 ppm1      1.521 ppm2      2.439 CV     1
 OR { 3992}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 3992}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 41   and name HB2 ))
 ASSI { 3993}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 41   and name HG2 ))
      3.200     1.300     1.300 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.31625E-02 ppm1      1.526 ppm2      2.644 CV     1
 OR { 3993}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 41   and name HG2 ))
 OR { 3993}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 41   and name HG2 ))
 ASSI { 3995}
   (( segid "B   " and resid 15   and name HG22))
   (  segid "B   " and resid 19   and name HE% )
      2.300     0.600     0.600 peak  3995 spectrum    1 weight  0.10000E+01 volume  0.76363E-02 ppm1      1.519 ppm2      6.857 CV     1
 OR { 3995}
   (( segid "B   " and resid 15   and name HG21))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3995}
   (( segid "B   " and resid 15   and name HG23))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3996}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 16   and name H   ))
      3.500     1.500     1.500 peak  3996 spectrum    1 weight  0.10000E+01 volume  0.19729E-02 ppm1      1.518 ppm2      6.989 CV     1
 OR { 3996}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 16   and name H   ))
 OR { 3996}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 16   and name H   ))
 ASSI { 3997}
   (( segid "B   " and resid 15   and name HG22))
   (  segid "B   " and resid 19   and name HD% )
      2.700     0.900     0.900 peak  3997 spectrum    1 weight  0.10000E+01 volume  0.38043E-02 ppm1      1.521 ppm2      7.416 CV     1
 OR { 3997}
   (( segid "B   " and resid 15   and name HG23))
   (  segid "B   " and resid 19   and name HD% )
 OR { 3997}
   (( segid "B   " and resid 15   and name HG21))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3999}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 15   and name H   ))
      3.400     1.500     1.500 peak  3999 spectrum    1 weight  0.10000E+01 volume  0.29414E-02 ppm1      1.519 ppm2      8.716 CV     1
 OR { 3999}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 15   and name H   ))
 OR { 3999}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 15   and name H   ))
 ASSI { 4002}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  4002 spectrum    1 weight  0.10000E+01 volume  0.69212E-02 ppm1      1.521 ppm2      4.400 CV     1
 OR { 4002}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 15   and name HA  ))
 OR { 4002}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 15   and name HA  ))
 ASSI { 4003}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  4003 spectrum    1 weight  0.10000E+01 volume  0.70164E-02 ppm1      1.535 ppm2      4.435 CV     1
 OR { 4003}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 15   and name HA  ))
 OR { 4003}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 15   and name HA  ))
 ASSI { 4007}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 41   and name HG2 ))
      3.100     3.100     2.900 peak  4007 spectrum    1 weight  0.10000E+01 volume  0.34746E-02 ppm1      1.533 ppm2      2.613 CV     1
 OR { 4007}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 41   and name HG2 ))
 OR { 4007}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 41   and name HG2 ))
 ASSI { 4008}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 41   and name HB2 ))
      2.500     2.500     3.500 peak  4008 spectrum    1 weight  0.10000E+01 volume  0.60217E-02 ppm1      1.533 ppm2      2.418 CV     1
 OR { 4008}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 4008}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI { 4009}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak  4009 spectrum    1 weight  0.10000E+01 volume  0.18754E-02 ppm1      1.535 ppm2      2.128 CV     1
 OR { 4009}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "B   " and resid 5    and name HB2 ))
 OR { 4009}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI { 4010}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak  4010 spectrum    1 weight  0.10000E+01 volume  0.20681E-02 ppm1      1.534 ppm2      1.913 CV     1
 OR { 4010}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 18   and name HB2 ))
 OR { 4010}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 18   and name HB2 ))
 ASSI { 4014}
   (( segid "A   " and resid 15   and name HG22))
   (  segid "A   " and resid 19   and name HE% )
      2.200     0.600     0.600 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.86379E-02 ppm1      1.531 ppm2      6.852 CV     1
 OR { 4014}
   (( segid "A   " and resid 15   and name HG21))
   (  segid "A   " and resid 19   and name HE% )
 OR { 4014}
   (( segid "A   " and resid 15   and name HG23))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 4015}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 16   and name H   ))
      3.500     1.500     1.500 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.19500E-02 ppm1      1.535 ppm2      7.063 CV     1
 OR { 4015}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 16   and name H   ))
 OR { 4015}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 16   and name H   ))
 ASSI { 4016}
   (( segid "A   " and resid 15   and name HG22))
   (  segid "A   " and resid 19   and name HD% )
      2.700     0.900     0.900 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.39861E-02 ppm1      1.535 ppm2      7.406 CV     1
 OR { 4016}
   (( segid "A   " and resid 15   and name HG23))
   (  segid "A   " and resid 19   and name HD% )
 OR { 4016}
   (( segid "A   " and resid 15   and name HG21))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 4017}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 18   and name H   ))
      4.000     2.100     2.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.10563E-02 ppm1      1.534 ppm2      7.774 CV     1
 OR { 4017}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 18   and name H   ))
 OR { 4017}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 18   and name H   ))
 ASSI { 4020}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 15   and name H   ))
      3.400     1.400     1.400 peak  4020 spectrum    1 weight  0.10000E+01 volume  0.31018E-02 ppm1      1.535 ppm2      8.619 CV     1
 OR { 4020}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 15   and name H   ))
 OR { 4020}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 15   and name H   ))
 ASSI { 4022}
   (( segid "A   " and resid 15   and name HG23))
   (  segid "A   " and resid 75   and name HE% )
      4.000     2.000     2.000 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.10424E-02 ppm1      1.535 ppm2      6.698 CV     1
 OR { 4022}
   (( segid "A   " and resid 15   and name HG22))
   (  segid "A   " and resid 75   and name HE% )
 OR { 4022}
   (( segid "A   " and resid 15   and name HG21))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 4025}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "B   " and resid 5    and name HD11))
      2.800     1.000     1.000 peak  4025 spectrum    1 weight  0.10000E+01 volume  0.12136E-01 ppm1      1.537 ppm2      1.080 CV     1
 OR { 4025}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4025}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "B   " and resid 5    and name HD12))
 ASSI { 4026}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 37   and name HD11))
      2.300     0.700     0.700 peak  4026 spectrum    1 weight  0.10000E+01 volume  0.92665E-02 ppm1      1.535 ppm2      0.905 CV     1
 OR { 4026}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 37   and name HD11))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 37   and name HD12))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 37   and name HD12))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 37   and name HD11))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 37   and name HD12))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 37   and name HD13))
 OR { 4026}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 37   and name HD13))
 ASSI { 4027}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name H   ))
      2.700     0.900     0.900 peak  4027 spectrum    1 weight  0.10000E+01 volume  0.33729E-02 ppm1      4.151 ppm2      9.084 CV     1
 ASSI { 4029}
   (( segid "B   " and resid 14   and name HA  ))
   (  segid "A   " and resid 90   and name HE% )
      3.300     1.300     1.300 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.13641E-02 ppm1      4.150 ppm2      7.150 CV     1
 ASSI { 4032}
   (( segid "B   " and resid 13   and name HA  ))
   (  segid "B   " and resid 72   and name HE% )
      2.800     1.000     1.000 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.41423E-02 ppm1      4.082 ppm2      7.003 CV     1
 ASSI { 4033}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 72   and name HZ  ))
      3.300     1.400     1.400 peak  4033 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      4.079 ppm2      6.924 CV     1
 ASSI { 4035}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 14   and name H   ))
      3.900     1.900     1.900 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.49030E-03 ppm1      4.063 ppm2      8.876 CV     1
 ASSI { 4048}
   (( segid "B   " and resid 13   and name HG13))
   (  segid "B   " and resid 72   and name HE% )
      2.800     1.000     1.000 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.67239E-02 ppm1      1.279 ppm2      7.004 CV     1
 OR { 4048}
   (( segid "B   " and resid 13   and name HG11))
   (  segid "B   " and resid 72   and name HE% )
 OR { 4048}
   (( segid "B   " and resid 13   and name HG12))
   (  segid "B   " and resid 72   and name HE% )
 ASSI { 4049}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 72   and name HZ  ))
      2.100     0.500     0.500 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      1.280 ppm2      6.922 CV     1
 OR { 4049}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 72   and name HZ  ))
 OR { 4049}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 72   and name HZ  ))
 ASSI { 4050}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "B   " and resid 13   and name H   ))
      2.200     0.600     0.600 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.96132E-02 ppm1      1.273 ppm2      8.308 CV     1
 OR { 4050}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "B   " and resid 13   and name H   ))
 OR { 4050}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "B   " and resid 13   and name H   ))
 ASSI { 4051}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "B   " and resid 14   and name H   ))
      3.600     1.600     1.600 peak  4051 spectrum    1 weight  0.10000E+01 volume  0.28331E-02 ppm1      1.273 ppm2      9.086 CV     1
 OR { 4051}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "B   " and resid 14   and name H   ))
 OR { 4051}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "B   " and resid 14   and name H   ))
 ASSI { 4052}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "A   " and resid 83   and name H   ))
      4.300     2.300     1.700 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.10287E-02 ppm1      1.273 ppm2      8.976 CV     1
 OR { 4052}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "A   " and resid 83   and name H   ))
 OR { 4052}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "A   " and resid 83   and name H   ))
 ASSI { 4053}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "A   " and resid 87   and name H   ))
      2.700     0.900     0.900 peak  4053 spectrum    1 weight  0.10000E+01 volume  0.40274E-02 ppm1      1.271 ppm2      8.674 CV     1
 OR { 4053}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "A   " and resid 87   and name H   ))
 OR { 4053}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "A   " and resid 87   and name H   ))
 ASSI { 4054}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 13   and name H   ))
      2.200     0.600     0.600 peak  4054 spectrum    1 weight  0.10000E+01 volume  0.10671E-01 ppm1      1.284 ppm2      8.445 CV     1
 OR { 4054}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4054}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 4055}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 87   and name H   ))
      3.300     1.400     1.400 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.25730E-02 ppm1      1.283 ppm2      8.591 CV     1
 OR { 4055}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 87   and name H   ))
 OR { 4055}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 87   and name H   ))
 ASSI { 4056}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 14   and name H   ))
      3.700     1.700     1.700 peak  4056 spectrum    1 weight  0.10000E+01 volume  0.27724E-02 ppm1      1.284 ppm2      8.872 CV     1
 OR { 4056}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 14   and name H   ))
 OR { 4056}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 14   and name H   ))
 ASSI { 4058}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 86   and name H   ))
      3.400     1.400     1.400 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.22630E-02 ppm1      1.288 ppm2      8.330 CV     1
 OR { 4058}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 86   and name H   ))
 OR { 4058}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 86   and name H   ))
 ASSI { 4060}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.22955E-02 ppm1      1.281 ppm2      4.573 CV     1
 OR { 4060}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 10   and name HA  ))
 OR { 4060}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 10   and name HA  ))
 ASSI { 4062}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 86   and name HB2 ))
      3.400     1.400     1.400 peak  4062 spectrum    1 weight  0.10000E+01 volume  0.28937E-02 ppm1      1.284 ppm2      3.428 CV     1
 OR { 4062}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 86   and name HB2 ))
 OR { 4062}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 86   and name HB2 ))
 ASSI { 4063}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.20119E-02 ppm1      1.283 ppm2      2.574 CV     1
 OR { 4063}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4063}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI { 4064}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 83   and name HA  ))
      2.900     1.100     1.100 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.30346E-02 ppm1      1.284 ppm2      3.955 CV     1
 OR { 4064}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4064}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 83   and name HA  ))
 ASSI { 4065}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 83   and name HB3 ))
      2.200     0.600     0.600 peak  4065 spectrum    1 weight  0.10000E+01 volume  0.14291E-01 ppm1      1.279 ppm2      1.744 CV     1
 OR { 4065}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4065}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 83   and name HB1 ))
 ASSI { 4068}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 86   and name HB3 ))
      2.400     0.700     0.700 peak  4068 spectrum    1 weight  0.10000E+01 volume  0.53582E-02 ppm1      1.278 ppm2      3.080 CV     1
 OR { 4068}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 86   and name HB3 ))
 OR { 4068}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 86   and name HB3 ))
 ASSI { 4071}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 13   and name HG23))
      1.900     0.500     0.500 peak  4071 spectrum    1 weight  0.10000E+01 volume  0.31669E-01 ppm1      1.279 ppm2      0.852 CV     1
 OR { 4071}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 13   and name HG21))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 13   and name HG21))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 13   and name HG23))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 13   and name HG23))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 13   and name HG21))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 13   and name HG22))
 OR { 4071}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 13   and name HG22))
 ASSI { 4072}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "A   " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      1.274 ppm2      3.879 CV     1
 OR { 4072}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "A   " and resid 83   and name HA  ))
 OR { 4072}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "A   " and resid 83   and name HA  ))
 ASSI { 4073}
   (( segid "B   " and resid 13   and name HG12))
   (( segid "B   " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.21273E-02 ppm1      1.274 ppm2      4.589 CV     1
 OR { 4073}
   (( segid "B   " and resid 13   and name HG11))
   (( segid "B   " and resid 10   and name HA  ))
 OR { 4073}
   (( segid "B   " and resid 13   and name HG13))
   (( segid "B   " and resid 10   and name HA  ))
 ASSI { 4074}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 16   and name HB2 ))
      3.100     1.200     1.200 peak  4074 spectrum    1 weight  0.10000E+01 volume  0.57679E-02 ppm1      1.268 ppm2      3.057 CV     1
 OR { 4074}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 4074}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI { 4080}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 86   and name HB2 ))
      4.100     2.100     1.900 peak  4080 spectrum    1 weight  0.10000E+01 volume  0.92665E-03 ppm1      0.853 ppm2      3.239 CV     1
 OR { 4080}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 86   and name HB2 ))
 OR { 4080}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 86   and name HB2 ))
 ASSI { 4081}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 10   and name HB2 ))
      2.100     2.100     3.900 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.36264E-02 ppm1      0.852 ppm2      3.041 CV     1
 OR { 4081}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 10   and name HB2 ))
 OR { 4081}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 10   and name HB2 ))
 ASSI { 4082}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 90   and name HB3 ))
      3.000     1.100     1.100 peak  4082 spectrum    1 weight  0.10000E+01 volume  0.26163E-02 ppm1      0.854 ppm2      2.962 CV     1
 OR { 4082}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 90   and name HB3 ))
 OR { 4082}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 90   and name HB3 ))
 ASSI { 4088}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak  4088 spectrum    1 weight  0.10000E+01 volume  0.12227E-01 ppm1      0.853 ppm2      4.087 CV     1
 OR { 4088}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name HA  ))
 OR { 4088}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI { 4089}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak  4089 spectrum    1 weight  0.10000E+01 volume  0.32515E-02 ppm1      0.855 ppm2      4.148 CV     1
 OR { 4089}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 14   and name HA  ))
 OR { 4089}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI { 4090}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 14   and name H   ))
      2.700     0.900     0.900 peak  4090 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      0.855 ppm2      9.085 CV     1
 OR { 4090}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 14   and name H   ))
 OR { 4090}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 14   and name H   ))
 ASSI { 4091}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 14   and name H   ))
      2.700     0.900     0.900 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.29458E-02 ppm1      0.851 ppm2      8.873 CV     1
 OR { 4091}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 14   and name H   ))
 OR { 4091}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 14   and name H   ))
 ASSI { 4093}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 87   and name H   ))
      3.800     1.800     1.800 peak  4093 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      0.852 ppm2      8.595 CV     1
 OR { 4093}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 87   and name H   ))
 OR { 4093}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 87   and name H   ))
 ASSI { 4094}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 13   and name H   ))
      2.500     0.800     0.800 peak  4094 spectrum    1 weight  0.10000E+01 volume  0.36090E-02 ppm1      0.852 ppm2      8.444 CV     1
 OR { 4094}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4094}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 4095}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name H   ))
      2.500     0.800     0.800 peak  4095 spectrum    1 weight  0.10000E+01 volume  0.33229E-02 ppm1      0.855 ppm2      8.309 CV     1
 OR { 4095}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 13   and name H   ))
 OR { 4095}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name H   ))
 ASSI { 4097}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 90   and name H   ))
      3.600     1.700     1.700 peak  4097 spectrum    1 weight  0.10000E+01 volume  0.10914E-02 ppm1      0.854 ppm2      7.736 CV     1
 OR { 4097}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 90   and name H   ))
 OR { 4097}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 90   and name H   ))
 ASSI { 4098}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 90   and name H   ))
      2.600     2.600     3.400 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.10472E-02 ppm1      0.857 ppm2      7.572 CV     1
 OR { 4098}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 90   and name H   ))
 ASSI { 4099}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 17   and name HD2 ))
      3.100     1.200     1.200 peak  4099 spectrum    1 weight  0.10000E+01 volume  0.37739E-02 ppm1      0.851 ppm2      7.404 CV     1
 OR { 4099}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 17   and name HD2 ))
 OR { 4099}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 17   and name HD2 ))
 ASSI { 4100}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 17   and name HD2 ))
      2.900     2.900     3.100 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.45217E-02 ppm1      0.855 ppm2      7.306 CV     1
 OR { 4100}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 17   and name HD2 ))
 OR { 4100}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 17   and name HD2 ))
 ASSI { 4108}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak  4108 spectrum    1 weight  0.10000E+01 volume  0.51287E-02 ppm1      4.048 ppm2      2.398 CV     1
 OR { 4108}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4108}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI { 4110}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG22))
      3.400     1.500     1.500 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      4.053 ppm2      0.940 CV     1
 OR { 4110}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4110}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG21))
 ASSI { 4111}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 79   and name HD12))
      3.500     1.600     1.600 peak  4111 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      4.044 ppm2      0.463 CV     1
 OR { 4111}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4111}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4111}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4111}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 79   and name HD13))
 ASSI { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD23))
      4.000     2.000     2.000 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.13268E-02 ppm1      2.404 ppm2      1.051 CV     1
 OR { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4114}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 5    and name HD12))
 ASSI { 4115}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 79   and name HD11))
      3.600     1.600     1.600 peak  4115 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      2.400 ppm2      0.463 CV     1
 OR { 4115}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 79   and name HD13))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4115}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 79   and name HD13))
 ASSI { 4117}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 13   and name HG11))
      3.300     1.400     1.400 peak  4117 spectrum    1 weight  0.10000E+01 volume  0.16164E-02 ppm1      2.400 ppm2      1.273 CV     1
 OR { 4117}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4117}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4117}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4117}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4117}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 13   and name HG12))
 ASSI { 4118}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.29002E-02 ppm1      2.399 ppm2      4.053 CV     1
 OR { 4118}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4119}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.21559E-02 ppm1      2.402 ppm2      4.145 CV     1
 OR { 4119}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 9    and name HA  ))
 ASSI { 4120}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 13   and name H   ))
      2.600     0.800     0.800 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.19599E-02 ppm1      2.398 ppm2      8.307 CV     1
 OR { 4120}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 13   and name H   ))
 ASSI { 4121}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 12   and name H   ))
      2.400     0.700     0.700 peak  4121 spectrum    1 weight  0.10000E+01 volume  0.39341E-02 ppm1      2.401 ppm2      8.671 CV     1
 OR { 4121}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4122}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name H   ))
      3.300     1.400     1.400 peak  4122 spectrum    1 weight  0.10000E+01 volume  0.23280E-02 ppm1      2.697 ppm2      8.671 CV     1
 ASSI { 4124}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 83   and name H   ))
      4.100     2.100     1.900 peak  4124 spectrum    1 weight  0.10000E+01 volume  0.78207E-03 ppm1      2.404 ppm2      8.973 CV     1
 OR { 4124}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 83   and name H   ))
 ASSI { 4125}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "B   " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.57160E-03 ppm1      2.700 ppm2      6.653 CV     1
 ASSI { 4128}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  4128 spectrum    1 weight  0.10000E+01 volume  0.15106E-02 ppm1      2.703 ppm2      4.045 CV     1
 ASSI { 4129}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HG3 ))
      1.500     0.300     0.700 peak  4129 spectrum    1 weight  0.10000E+01 volume  0.13140E-01 ppm1      2.698 ppm2      2.399 CV     1
 OR { 4129}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4129}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD23))
      3.500     1.600     1.600 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.16957E-02 ppm1      2.697 ppm2      1.055 CV     1
 OR { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4131}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 5    and name HD12))
 ASSI { 4132}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 79   and name HD23))
      2.300     0.700     0.700 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.23800E-02 ppm1      2.695 ppm2      0.469 CV     1
 OR { 4132}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4132}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4132}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 79   and name HD13))
 OR { 4132}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 79   and name HD22))
 ASSI { 4133}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 79   and name HD23))
      3.100     1.200     1.200 peak  4133 spectrum    1 weight  0.10000E+01 volume  0.25318E-02 ppm1      2.396 ppm2      0.471 CV     1
 OR { 4133}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4133}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4133}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4133}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 79   and name HD21))
 ASSI { 4134}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 5    and name HD21))
      3.300     1.400     1.400 peak  4134 spectrum    1 weight  0.10000E+01 volume  0.21407E-02 ppm1      2.396 ppm2      1.057 CV     1
 OR { 4134}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4134}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4134}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4134}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 5    and name HD11))
 ASSI { 4136}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      1.500     0.300     0.700 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.81936E-02 ppm1      2.396 ppm2      2.698 CV     1
 ASSI { 4138}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.26727E-02 ppm1      2.394 ppm2      4.055 CV     1
 ASSI { 4140}
   (( segid "B   " and resid 12   and name HG3 ))
   (  segid "B   " and resid 75   and name HE% )
      4.500     2.500     1.500 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.84558E-03 ppm1      2.392 ppm2      6.655 CV     1
 ASSI { 4141}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 12   and name H   ))
      2.500     0.800     0.800 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.19279E-02 ppm1      2.394 ppm2      8.669 CV     1
 ASSI { 4142}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "A   " and resid 83   and name H   ))
      4.000     2.000     2.000 peak  4142 spectrum    1 weight  0.10000E+01 volume  0.91192E-03 ppm1      2.403 ppm2      8.982 CV     1
 ASSI { 4144}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD23))
      1.900     0.400     0.400 peak  4144 spectrum    1 weight  0.10000E+01 volume  0.29219E-01 ppm1      1.878 ppm2      0.469 CV     1
 OR { 4144}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4144}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD22))
 ASSI { 4150}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HG  ))
      3.800     1.800     1.800 peak  4150 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      1.879 ppm2      1.217 CV     1
 OR { 4150}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HG  ))
 OR { 4150}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI { 4151}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  4151 spectrum    1 weight  0.10000E+01 volume  0.43806E-02 ppm1      1.879 ppm2      1.432 CV     1
 OR { 4151}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HB2 ))
 OR { 4151}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HB2 ))
 ASSI { 4152}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HG3 ))
      1.900     1.900     4.100 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.30585E-01 ppm1      1.878 ppm2      2.399 CV     1
 OR { 4152}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4152}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4152}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4152}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4152}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI { 4153}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HG2 ))
      1.900     0.500     0.500 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.12631E-01 ppm1      1.878 ppm2      2.697 CV     1
 OR { 4153}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4153}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI { 4154}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 76   and name HB3 ))
      3.300     1.400     1.400 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.34704E-02 ppm1      1.879 ppm2      2.588 CV     1
 OR { 4154}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 76   and name HB3 ))
 OR { 4154}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 76   and name HB3 ))
 ASSI { 4155}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 76   and name HA  ))
      2.700     2.700     3.300 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.10120E-01 ppm1      1.878 ppm2      3.560 CV     1
 OR { 4155}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 76   and name HA  ))
 OR { 4155}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 76   and name HA  ))
 ASSI { 4157}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak  4157 spectrum    1 weight  0.10000E+01 volume  0.60627E-02 ppm1      1.878 ppm2      3.294 CV     1
 OR { 4157}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR { 4157}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI { 4158}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 76   and name HB2 ))
      4.100     2.100     1.900 peak  4158 spectrum    1 weight  0.10000E+01 volume  0.24472E-02 ppm1      1.878 ppm2      3.116 CV     1
 OR { 4158}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 76   and name HB2 ))
 OR { 4158}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 76   and name HB2 ))
 ASSI { 4160}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HA  ))
      3.600     1.700     1.700 peak  4160 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      1.877 ppm2      4.056 CV     1
 OR { 4160}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4160}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4161}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HA  ))
      2.000     0.500     0.500 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.88416E-02 ppm1      1.878 ppm2      3.960 CV     1
 OR { 4161}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4161}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name HA  ))
 ASSI { 4162}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.22738E-02 ppm1      1.878 ppm2      3.877 CV     1
 OR { 4162}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 80   and name HA  ))
 OR { 4162}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 80   and name HA  ))
 ASSI { 4163}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HB2 ))
      3.500     1.600     1.600 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.30715E-02 ppm1      1.879 ppm2      4.263 CV     1
 OR { 4163}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HB2 ))
 OR { 4163}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 4166}
   (( segid "B   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 75   and name HE% )
      3.700     1.700     1.700 peak  4166 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      1.878 ppm2      6.652 CV     1
 OR { 4166}
   (( segid "B   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 75   and name HE% )
 OR { 4166}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 4168}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name H   ))
      3.600     1.600     1.600 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.28764E-02 ppm1      1.878 ppm2      8.670 CV     1
 OR { 4168}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4168}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4170}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 83   and name H   ))
      2.800     1.000     1.000 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.37000E-02 ppm1      1.878 ppm2      8.975 CV     1
 OR { 4170}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 83   and name H   ))
 OR { 4170}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 83   and name H   ))
 ASSI { 4171}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 84   and name H   ))
      3.700     1.700     1.700 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      1.879 ppm2      8.928 CV     1
 OR { 4171}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 84   and name H   ))
 OR { 4171}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 84   and name H   ))
 ASSI { 4172}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 76   and name H   ))
      3.100     3.100     2.900 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.33813E-02 ppm1      1.879 ppm2      8.315 CV     1
 OR { 4172}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 76   and name H   ))
 OR { 4172}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 76   and name H   ))
 ASSI { 4173}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name H   ))
      3.000     1.100     1.100 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.30845E-02 ppm1      1.879 ppm2      8.267 CV     1
 OR { 4173}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name H   ))
 OR { 4173}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name H   ))
 ASSI { 4178}
   (( segid "B   " and resid 12   and name HA  ))
   (  segid "B   " and resid 75   and name HE% )
      3.300     1.300     1.300 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.75714E-03 ppm1      4.051 ppm2      6.655 CV     1
 ASSI { 4180}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 12   and name HB3 ))
      2.900     1.000     1.000 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.13552E-02 ppm1      4.061 ppm2      2.199 CV     1
 ASSI { 4183}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 12   and name HB2 ))
      3.300     1.400     1.400 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      4.069 ppm2      2.578 CV     1
 ASSI { 4184}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 11   and name HG22))
      3.600     1.600     1.600 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      4.069 ppm2      0.943 CV     1
 OR { 4184}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4184}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 11   and name HG21))
 ASSI { 4186}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.87831E-03 ppm1      2.577 ppm2      4.266 CV     1
 ASSI { 4191}
   (( segid "A   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 13   and name H   ))
      3.500     1.600     1.600 peak  4191 spectrum    1 weight  0.10000E+01 volume  0.98040E-03 ppm1      2.206 ppm2      8.451 CV     1
 ASSI { 4193}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 13   and name H   ))
      2.700     0.900     0.900 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.99144E-03 ppm1      2.578 ppm2      8.450 CV     1
 ASSI { 4194}
   (( segid "A   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 9    and name HA  ))
      4.300     2.300     1.700 peak  4194 spectrum    1 weight  0.10000E+01 volume  0.77945E-03 ppm1      2.203 ppm2      4.260 CV     1
 ASSI { 4196}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.13378E-02 ppm1      2.839 ppm2      2.566 CV     1
 ASSI { 4198}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HB3 ))
      2.600     0.900     0.900 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.12800E-02 ppm1      2.845 ppm2      2.196 CV     1
 ASSI { 4202}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 11   and name HG22))
      4.300     2.400     1.700 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.58590E-03 ppm1      2.843 ppm2      0.955 CV     1
 OR { 4202}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4202}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 11   and name HG21))
 ASSI { 4205}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 79   and name HD11))
      2.600     0.900     0.900 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.13218E-02 ppm1      2.840 ppm2      0.564 CV     1
 OR { 4205}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4205}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 79   and name HD12))
 ASSI { 4206}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.85817E-03 ppm1      2.848 ppm2      4.265 CV     1
 ASSI { 4207}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  4207 spectrum    1 weight  0.10000E+01 volume  0.16168E-02 ppm1      2.844 ppm2      4.082 CV     1
 ASSI { 4208}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 13   and name H   ))
      4.400     2.400     1.600 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.79485E-03 ppm1      2.845 ppm2      8.454 CV     1
 ASSI { 4209}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name H   ))
      3.500     1.500     1.500 peak  4209 spectrum    1 weight  0.10000E+01 volume  0.19391E-02 ppm1      2.837 ppm2      8.798 CV     1
 ASSI { 4213}
   (( segid "A   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 5    and name HD21))
      3.400     1.400     1.400 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.18483E-02 ppm1      2.384 ppm2      1.098 CV     1
 OR { 4213}
   (( segid "A   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4213}
   (( segid "A   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 5    and name HD22))
 ASSI { 4214}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD12))
      2.200     0.600     0.600 peak  4214 spectrum    1 weight  0.10000E+01 volume  0.22456E-01 ppm1      1.891 ppm2      0.564 CV     1
 OR { 4214}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4214}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HD12))
 ASSI { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD21))
      2.600     0.900     0.900 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.89413E-02 ppm1      1.892 ppm2      0.458 CV     1
 OR { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name HD13))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4215}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name HD13))
 ASSI { 4218}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HB3 ))
      2.300     0.700     0.700 peak  4218 spectrum    1 weight  0.10000E+01 volume  0.77080E-02 ppm1      1.891 ppm2      1.051 CV     1
 OR { 4218}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4218}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HB3 ))
 ASSI { 4222}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name HB3 ))
      2.700     2.700     3.300 peak  4222 spectrum    1 weight  0.10000E+01 volume  0.87831E-02 ppm1      1.890 ppm2      2.198 CV     1
 OR { 4222}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4222}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name HB3 ))
 ASSI { 4223}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name HG3 ))
      2.000     2.000     4.000 peak  4223 spectrum    1 weight  0.10000E+01 volume  0.20802E-01 ppm1      1.892 ppm2      2.391 CV     1
 OR { 4223}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4223}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI { 4224}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name HB2 ))
      2.800     2.800     3.200 peak  4224 spectrum    1 weight  0.10000E+01 volume  0.88503E-02 ppm1      1.890 ppm2      2.570 CV     1
 OR { 4224}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4224}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI { 4225}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak  4225 spectrum    1 weight  0.10000E+01 volume  0.24212E-02 ppm1      1.892 ppm2      2.698 CV     1
 OR { 4225}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4225}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI { 4226}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name HG2 ))
      2.000     0.500     0.500 peak  4226 spectrum    1 weight  0.10000E+01 volume  0.11085E-01 ppm1      1.891 ppm2      2.842 CV     1
 OR { 4226}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4226}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI { 4229}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak  4229 spectrum    1 weight  0.10000E+01 volume  0.31994E-02 ppm1      1.892 ppm2      3.308 CV     1
 OR { 4229}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HA  ))
 OR { 4229}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI { 4230}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  4230 spectrum    1 weight  0.10000E+01 volume  0.36416E-02 ppm1      1.891 ppm2      3.885 CV     1
 OR { 4230}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 80   and name HA  ))
 OR { 4230}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 80   and name HA  ))
 ASSI { 4232}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HA  ))
      3.500     1.500     1.500 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      1.892 ppm2      3.945 CV     1
 OR { 4232}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4232}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name HA  ))
 ASSI { 4233}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name HA  ))
      3.300     1.400     1.400 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.56097E-02 ppm1      1.892 ppm2      4.070 CV     1
 OR { 4233}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4233}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 4236}
   (( segid "A   " and resid 12   and name HE3 ))
   (  segid "A   " and resid 78   and name HD% )
      4.700     2.800     1.300 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.68495E-03 ppm1      1.892 ppm2      7.116 CV     1
 OR { 4236}
   (( segid "A   " and resid 12   and name HE1 ))
   (  segid "A   " and resid 78   and name HD% )
 OR { 4236}
   (( segid "A   " and resid 12   and name HE2 ))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 4243}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name H   ))
      3.300     3.300     2.700 peak  4243 spectrum    1 weight  0.10000E+01 volume  0.21936E-02 ppm1      1.891 ppm2      7.744 CV     1
 OR { 4243}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4243}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4244}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 80   and name H   ))
      3.300     1.300     1.300 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      1.891 ppm2      8.256 CV     1
 OR { 4244}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 80   and name H   ))
 OR { 4244}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 80   and name H   ))
 ASSI { 4245}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name H   ))
      3.900     1.900     1.900 peak  4245 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      1.892 ppm2      8.164 CV     1
 OR { 4245}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name H   ))
 OR { 4245}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name H   ))
 ASSI { 4246}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name H   ))
      3.100     1.200     1.200 peak  4246 spectrum    1 weight  0.10000E+01 volume  0.27095E-02 ppm1      1.892 ppm2      8.289 CV     1
 OR { 4246}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name H   ))
 OR { 4246}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name H   ))
 ASSI { 4248}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 12   and name H   ))
      3.300     1.400     1.400 peak  4248 spectrum    1 weight  0.10000E+01 volume  0.51590E-02 ppm1      1.891 ppm2      8.804 CV     1
 OR { 4248}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4248}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4252}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name H   ))
      2.700     0.900     0.900 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.20003E-02 ppm1      3.946 ppm2      8.529 CV     1
 ASSI { 4256}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name H   ))
      2.700     0.900     0.900 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.23367E-02 ppm1      3.939 ppm2      8.459 CV     1
 ASSI { 4260}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 11   and name H   ))
      2.700     0.900     0.900 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.33490E-02 ppm1      0.939 ppm2      8.530 CV     1
 OR { 4260}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 11   and name H   ))
 OR { 4260}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 11   and name H   ))
 ASSI { 4262}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 11   and name H   ))
      2.600     0.800     0.800 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.38973E-02 ppm1      0.954 ppm2      8.456 CV     1
 OR { 4262}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4262}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 11   and name H   ))
 ASSI { 4265}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 15   and name H   ))
      3.800     1.800     1.800 peak  4265 spectrum    1 weight  0.10000E+01 volume  0.19257E-02 ppm1      0.955 ppm2      8.621 CV     1
 OR { 4265}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 15   and name H   ))
 OR { 4265}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 15   and name H   ))
 ASSI { 4266}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 12   and name H   ))
      2.700     0.900     0.900 peak  4266 spectrum    1 weight  0.10000E+01 volume  0.25187E-02 ppm1      0.955 ppm2      8.799 CV     1
 OR { 4266}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4266}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4267}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 12   and name H   ))
      3.300     1.300     1.300 peak  4267 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      3.952 ppm2      8.673 CV     1
 ASSI { 4268}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 15   and name H   ))
      3.100     1.200     1.200 peak  4268 spectrum    1 weight  0.10000E+01 volume  0.76689E-03 ppm1      3.948 ppm2      8.637 CV     1
 ASSI { 4269}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 12   and name H   ))
      3.300     1.400     1.400 peak  4269 spectrum    1 weight  0.10000E+01 volume  0.93184E-03 ppm1      3.945 ppm2      8.799 CV     1
 ASSI { 4271}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.26466E-02 ppm1      3.943 ppm2      4.143 CV     1
 ASSI { 4275}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name H   ))
      3.100     1.200     1.200 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.26120E-02 ppm1      2.371 ppm2      8.533 CV     1
 ASSI { 4276}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 11   and name H   ))
      3.000     1.100     1.100 peak  4276 spectrum    1 weight  0.10000E+01 volume  0.29870E-02 ppm1      2.376 ppm2      8.456 CV     1
 ASSI { 4277}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 12   and name H   ))
      3.400     1.400     1.400 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      2.372 ppm2      8.674 CV     1
 ASSI { 4282}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HG3 ))
      3.200     1.200     1.200 peak  4282 spectrum    1 weight  0.10000E+01 volume  0.46495E-02 ppm1      1.260 ppm2      1.619 CV     1
 OR { 4282}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HG3 ))
 OR { 4282}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HG3 ))
 OR { 4282}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HG2 ))
 OR { 4282}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HG2 ))
 OR { 4282}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HG2 ))
 ASSI { 4288}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 11   and name HB  ))
      1.700     0.300     0.500 peak  4288 spectrum    1 weight  0.10000E+01 volume  0.36609E-01 ppm1      1.259 ppm2      2.374 CV     1
 OR { 4288}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 11   and name HB  ))
 OR { 4288}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4292}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 11   and name HA  ))
      1.900     0.400     0.400 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.29154E-01 ppm1      1.258 ppm2      3.944 CV     1
 OR { 4292}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 11   and name HA  ))
 OR { 4292}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 11   and name HA  ))
 ASSI { 4297}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      1.261 ppm2      4.588 CV     1
 OR { 4297}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 10   and name HA  ))
 OR { 4297}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 10   and name HA  ))
 ASSI { 4300}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 10   and name H   ))
      3.400     1.400     1.400 peak  4300 spectrum    1 weight  0.10000E+01 volume  0.27572E-02 ppm1      1.259 ppm2      7.806 CV     1
 OR { 4300}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 10   and name H   ))
 OR { 4300}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 10   and name H   ))
 ASSI { 4301}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 10   and name H   ))
      3.300     1.400     1.400 peak  4301 spectrum    1 weight  0.10000E+01 volume  0.29284E-02 ppm1      1.258 ppm2      7.755 CV     1
 OR { 4301}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 10   and name H   ))
 OR { 4301}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 10   and name H   ))
 ASSI { 4303}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 11   and name H   ))
      2.000     0.500     0.500 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.16162E-01 ppm1      1.259 ppm2      8.530 CV     1
 OR { 4303}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 11   and name H   ))
 OR { 4303}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 11   and name H   ))
 ASSI { 4304}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 11   and name H   ))
      2.000     0.500     0.500 peak  4304 spectrum    1 weight  0.10000E+01 volume  0.15611E-01 ppm1      1.257 ppm2      8.458 CV     1
 OR { 4304}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4304}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 11   and name H   ))
 ASSI { 4305}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 14   and name H   ))
      4.400     2.400     1.600 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.79682E-03 ppm1      1.255 ppm2      8.879 CV     1
 OR { 4305}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 14   and name H   ))
 OR { 4305}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 14   and name H   ))
 ASSI { 4306}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 12   and name H   ))
      3.300     1.400     1.400 peak  4306 spectrum    1 weight  0.10000E+01 volume  0.33532E-02 ppm1      1.257 ppm2      8.800 CV     1
 OR { 4306}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4306}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4307}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 12   and name H   ))
      3.200     1.300     1.300 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.46583E-02 ppm1      1.261 ppm2      8.674 CV     1
 OR { 4307}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4307}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4313}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 5    and name HD21))
      2.400     0.700     0.700 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.91971E-02 ppm1      0.938 ppm2      1.053 CV     1
 OR { 4313}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4313}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 5    and name HD23))
 ASSI { 4314}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name HD21))
      2.300     0.600     0.600 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.99429E-02 ppm1      0.954 ppm2      1.100 CV     1
 OR { 4314}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4314}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name HD23))
 ASSI { 4320}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  4320 spectrum    1 weight  0.10000E+01 volume  0.54473E-02 ppm1      0.934 ppm2      4.334 CV     1
 OR { 4320}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 4    and name HA  ))
 OR { 4320}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI { 4325}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 12   and name H   ))
      2.700     0.900     0.900 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.27182E-02 ppm1      0.938 ppm2      8.679 CV     1
 OR { 4325}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4325}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4326}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name H   ))
      3.600     1.600     1.600 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.15405E-02 ppm1      0.956 ppm2     10.862 CV     1
 OR { 4326}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 5    and name H   ))
 OR { 4326}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name H   ))
 ASSI { 4327}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 5    and name H   ))
      3.900     1.900     1.900 peak  4327 spectrum    1 weight  0.10000E+01 volume  0.10248E-02 ppm1      0.935 ppm2     10.736 CV     1
 OR { 4327}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 5    and name H   ))
 OR { 4327}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 5    and name H   ))
 ASSI { 4330}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name HG  ))
      4.000     2.000     2.000 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.17048E-02 ppm1      0.953 ppm2      1.839 CV     1
 OR { 4330}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name HG  ))
 OR { 4330}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 5    and name HG  ))
 ASSI { 4332}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak  4332 spectrum    1 weight  0.10000E+01 volume  0.15479E-02 ppm1      0.954 ppm2      4.430 CV     1
 OR { 4332}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 15   and name HA  ))
 OR { 4332}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 15   and name HA  ))
 ASSI { 4333}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak  4333 spectrum    1 weight  0.10000E+01 volume  0.52520E-02 ppm1      4.561 ppm2      3.029 CV     1
 ASSI { 4334}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 10   and name HB2 ))
      2.600     0.900     0.900 peak  4334 spectrum    1 weight  0.10000E+01 volume  0.50983E-02 ppm1      4.596 ppm2      3.025 CV     1
 OR { 4334}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 10   and name HB3 ))
 ASSI { 4335}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 13   and name HB  ))
      4.200     2.200     1.800 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.21672E-02 ppm1      4.600 ppm2      2.392 CV     1
 ASSI { 4336}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 13   and name HB  ))
      4.300     2.300     1.700 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.17204E-02 ppm1      4.561 ppm2      2.383 CV     1
 ASSI { 4340}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 13   and name H   ))
      3.700     1.700     1.700 peak  4340 spectrum    1 weight  0.10000E+01 volume  0.96416E-03 ppm1      4.603 ppm2      8.310 CV     1
 ASSI { 4344}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 13   and name HG21))
      3.300     1.400     1.400 peak  4344 spectrum    1 weight  0.10000E+01 volume  0.99383E-03 ppm1      4.586 ppm2      0.852 CV     1
 OR { 4344}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 13   and name HG23))
 OR { 4344}
   (( segid "B   " and resid 10   and name HA  ))
   (( segid "B   " and resid 13   and name HG22))
 ASSI { 4345}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "C   " and resid 1934  and name HE% )
      3.400     1.500     1.500 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.94550E-03 ppm1      4.555 ppm2      2.155 CV     1
 ASSI { 4349}
   (( segid "B   " and resid 10   and name HB2 ))
   (( segid "B   " and resid 11   and name H   ))
      3.500     1.600     1.600 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.17508E-02 ppm1      3.044 ppm2      8.531 CV     1
 ASSI { 4350}
   (( segid "B   " and resid 10   and name HB3 ))
   (( segid "B   " and resid 11   and name H   ))
      2.900     1.100     1.100 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.18297E-02 ppm1      3.008 ppm2      8.532 CV     1
 ASSI { 4351}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 11   and name H   ))
      3.000     1.100     1.100 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.25773E-02 ppm1      3.034 ppm2      8.458 CV     1
 OR { 4351}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name H   ))
 ASSI { 4352}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 11   and name H   ))
      2.800     1.000     1.000 peak  4352 spectrum    1 weight  0.10000E+01 volume  0.24754E-02 ppm1      3.018 ppm2      8.456 CV     1
 ASSI { 4353}
   (( segid "B   " and resid 10   and name HB2 ))
   (( segid "B   " and resid 10   and name H   ))
      2.700     0.900     0.900 peak  4353 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      3.053 ppm2      7.800 CV     1
 ASSI { 4354}
   (( segid "B   " and resid 10   and name HB3 ))
   (( segid "B   " and resid 10   and name H   ))
      2.700     0.900     0.900 peak  4354 spectrum    1 weight  0.10000E+01 volume  0.39060E-02 ppm1      3.009 ppm2      7.796 CV     1
 ASSI { 4357}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 12   and name H   ))
      3.400     1.400     1.400 peak  4357 spectrum    1 weight  0.10000E+01 volume  0.86162E-03 ppm1      4.141 ppm2      8.664 CV     1
 ASSI { 4359}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak  4359 spectrum    1 weight  0.10000E+01 volume  0.26250E-02 ppm1      4.141 ppm2      2.400 CV     1
 OR { 4359}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4359}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI { 4360}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak  4360 spectrum    1 weight  0.10000E+01 volume  0.15455E-02 ppm1      4.137 ppm2      2.180 CV     1
 ASSI { 4361}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HB3 ))
      2.500     0.800     0.800 peak  4361 spectrum    1 weight  0.10000E+01 volume  0.20005E-02 ppm1      4.141 ppm2      1.355 CV     1
 ASSI { 4362}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HG  ))
      3.200     1.300     1.300 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      4.143 ppm2      1.903 CV     1
 ASSI { 4364}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HD22))
      4.300     2.400     1.700 peak  4364 spectrum    1 weight  0.10000E+01 volume  0.67759E-03 ppm1      4.145 ppm2      0.680 CV     1
 OR { 4364}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4364}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 9    and name HD23))
 ASSI { 4365}
   (( segid "B   " and resid 9    and name HA  ))
   (( segid "B   " and resid 10   and name H   ))
      3.600     1.700     1.700 peak  4365 spectrum    1 weight  0.10000E+01 volume  0.65828E-03 ppm1      4.141 ppm2      7.794 CV     1
 ASSI { 4367}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 10   and name H   ))
      2.700     0.900     0.900 peak  4367 spectrum    1 weight  0.10000E+01 volume  0.14724E-02 ppm1      2.186 ppm2      7.811 CV     1
 ASSI { 4376}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HB3 ))
      2.000     0.500     0.500 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.23020E-02 ppm1      2.202 ppm2      1.427 CV     1
 ASSI { 4377}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 9    and name HB3 ))
      1.900     0.500     0.500 peak  4377 spectrum    1 weight  0.10000E+01 volume  0.23583E-02 ppm1      2.186 ppm2      1.358 CV     1
 ASSI { 4381}
   (( segid "B   " and resid 9    and name HB3 ))
   (( segid "B   " and resid 9    and name HG  ))
      2.500     0.800     0.800 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.90627E-03 ppm1      1.356 ppm2      1.917 CV     1
 ASSI { 4386}
   (( segid "A   " and resid 9    and name HG  ))
   (( segid "A   " and resid 10   and name H   ))
      3.900     1.900     1.900 peak  4386 spectrum    1 weight  0.10000E+01 volume  0.19487E-02 ppm1      1.921 ppm2      7.741 CV     1
 ASSI { 4387}
   (( segid "A   " and resid 9    and name HG  ))
   (( segid "A   " and resid 9    and name HD23))
      2.400     0.700     0.700 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.33859E-02 ppm1      1.927 ppm2      0.675 CV     1
 OR { 4387}
   (( segid "A   " and resid 9    and name HG  ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4387}
   (( segid "A   " and resid 9    and name HG  ))
   (( segid "A   " and resid 9    and name HD22))
 ASSI { 4389}
   (( segid "A   " and resid 9    and name HG  ))
   (( segid "A   " and resid 6    and name HA  ))
      4.400     2.500     1.600 peak  4389 spectrum    1 weight  0.10000E+01 volume  0.69212E-03 ppm1      1.918 ppm2      4.070 CV     1
 ASSI { 4391}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HG22))
      2.900     1.000     1.000 peak  4391 spectrum    1 weight  0.10000E+01 volume  0.61344E-02 ppm1      0.815 ppm2      0.049 CV     1
 OR { 4391}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HG22))
 OR { 4391}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 82   and name HG22))
 OR { 4391}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HG23))
 ASSI { 4392}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HD12))
      3.100     1.200     1.200 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.29501E-02 ppm1      0.815 ppm2     -0.107 CV     1
 OR { 4392}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HD13))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 82   and name HD13))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 82   and name HD12))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HD11))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HD13))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HD12))
 OR { 4392}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HD11))
 ASSI { 4393}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD22))
      2.200     0.600     0.600 peak  4393 spectrum    1 weight  0.10000E+01 volume  0.85730E-02 ppm1      0.815 ppm2      0.439 CV     1
 OR { 4393}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4393}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4393}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4393}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4393}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4393}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD21))
 ASSI { 4394}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD12))
      3.100     1.200     1.200 peak  4394 spectrum    1 weight  0.10000E+01 volume  0.33316E-02 ppm1      0.812 ppm2      0.562 CV     1
 OR { 4394}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4394}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HD13))
 ASSI { 4395}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HD21))
      2.100     0.500     0.500 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.15988E-01 ppm1      0.815 ppm2      0.677 CV     1
 OR { 4395}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4395}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HD23))
 ASSI { 4396}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HB3 ))
      2.200     0.600     0.600 peak  4396 spectrum    1 weight  0.10000E+01 volume  0.45691E-02 ppm1      0.813 ppm2      1.050 CV     1
 OR { 4396}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4396}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HB3 ))
 ASSI { 4397}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HG13))
      2.600     0.800     0.800 peak  4397 spectrum    1 weight  0.10000E+01 volume  0.36784E-02 ppm1      0.814 ppm2      1.094 CV     1
 OR { 4397}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4397}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HG13))
 ASSI { 4398}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HB3 ))
      2.400     0.700     0.700 peak  4398 spectrum    1 weight  0.10000E+01 volume  0.73655E-02 ppm1      0.815 ppm2      1.356 CV     1
 OR { 4398}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HB3 ))
 OR { 4398}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HB3 ))
 ASSI { 4400}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 83   and name HB3 ))
      2.700     0.900     0.900 peak  4400 spectrum    1 weight  0.10000E+01 volume  0.10400E-01 ppm1      0.815 ppm2      1.745 CV     1
 OR { 4400}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 83   and name HB3 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 83   and name HB3 ))
 OR { 4400}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI { 4401}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 5    and name HB3 ))
      3.100     3.100     2.900 peak  4401 spectrum    1 weight  0.10000E+01 volume  0.36480E-02 ppm1      0.815 ppm2      1.669 CV     1
 OR { 4401}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 5    and name HB3 ))
 OR { 4401}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 5    and name HB3 ))
 ASSI { 4402}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 82   and name HB  ))
      2.200     0.600     0.600 peak  4402 spectrum    1 weight  0.10000E+01 volume  0.42679E-02 ppm1      0.815 ppm2      1.585 CV     1
 OR { 4402}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 82   and name HB  ))
 OR { 4402}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 82   and name HB  ))
 ASSI { 4404}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 42   and name HB3 ))
      3.100     3.100     2.900 peak  4404 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      0.813 ppm2      1.945 CV     1
 OR { 4404}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 42   and name HB3 ))
 OR { 4404}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI { 4405}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  4405 spectrum    1 weight  0.10000E+01 volume  0.55771E-02 ppm1      0.814 ppm2      2.179 CV     1
 OR { 4405}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4405}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HB2 ))
 ASSI { 4406}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HG3 ))
      2.900     1.100     1.100 peak  4406 spectrum    1 weight  0.10000E+01 volume  0.50657E-02 ppm1      0.814 ppm2      2.398 CV     1
 OR { 4406}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4406}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI { 4407}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.91018E-03 ppm1      0.816 ppm2      2.702 CV     1
 OR { 4407}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4407}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI { 4408}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HA  ))
      2.300     0.700     0.700 peak  4408 spectrum    1 weight  0.10000E+01 volume  0.36632E-02 ppm1      0.815 ppm2      3.326 CV     1
 OR { 4408}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HA  ))
 OR { 4408}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI { 4409}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 83   and name HA  ))
      3.300     1.300     1.300 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.29371E-02 ppm1      0.815 ppm2      3.875 CV     1
 OR { 4409}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 83   and name HA  ))
 OR { 4409}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 83   and name HA  ))
 ASSI { 4410}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HA  ))
      1.900     0.500     0.500 peak  4410 spectrum    1 weight  0.10000E+01 volume  0.14356E-01 ppm1      0.815 ppm2      4.143 CV     1
 OR { 4410}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4410}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HA  ))
 ASSI { 4412}
   (( segid "B   " and resid 9    and name HD11))
   (  segid "A   " and resid 78   and name HD% )
      2.600     2.600     3.400 peak  4412 spectrum    1 weight  0.10000E+01 volume  0.97020E-03 ppm1      0.814 ppm2      7.104 CV     1
 OR { 4412}
   (( segid "B   " and resid 9    and name HD13))
   (  segid "A   " and resid 78   and name HD% )
 OR { 4412}
   (( segid "B   " and resid 9    and name HD12))
   (  segid "A   " and resid 78   and name HD% )
 ASSI { 4413}
   (( segid "B   " and resid 9    and name HD12))
   (  segid "A   " and resid 45   and name HE% )
      4.100     2.100     1.900 peak  4413 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      0.814 ppm2      7.014 CV     1
 OR { 4413}
   (( segid "B   " and resid 9    and name HD11))
   (  segid "A   " and resid 45   and name HE% )
 OR { 4413}
   (( segid "B   " and resid 9    and name HD13))
   (  segid "A   " and resid 45   and name HE% )
 ASSI { 4414}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 10   and name H   ))
      3.600     1.600     1.600 peak  4414 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1      0.814 ppm2      7.804 CV     1
 OR { 4414}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 10   and name H   ))
 OR { 4414}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 10   and name H   ))
 ASSI { 4415}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name H   ))
      2.500     0.800     0.800 peak  4415 spectrum    1 weight  0.10000E+01 volume  0.46886E-02 ppm1      0.815 ppm2      7.740 CV     1
 OR { 4415}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4415}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4416}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 80   and name H   ))
      3.800     1.800     1.800 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1      0.816 ppm2      8.288 CV     1
 OR { 4416}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 80   and name H   ))
 OR { 4416}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 80   and name H   ))
 ASSI { 4417}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name H   ))
      2.600     2.600     3.400 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      0.815 ppm2      8.165 CV     1
 OR { 4417}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name H   ))
 OR { 4417}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name H   ))
 ASSI { 4418}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 83   and name H   ))
      2.700     0.900     0.900 peak  4418 spectrum    1 weight  0.10000E+01 volume  0.42895E-02 ppm1      0.815 ppm2      8.966 CV     1
 OR { 4418}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 83   and name H   ))
 OR { 4418}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 83   and name H   ))
 ASSI { 4419}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name H   ))
      3.900     1.900     1.900 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      0.816 ppm2      8.673 CV     1
 OR { 4419}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4419}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4420}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 8    and name H   ))
      3.900     1.900     1.900 peak  4420 spectrum    1 weight  0.10000E+01 volume  0.11380E-02 ppm1      0.816 ppm2      8.250 CV     1
 OR { 4420}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4420}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4421}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name H   ))
      2.400     0.700     0.700 peak  4421 spectrum    1 weight  0.10000E+01 volume  0.39538E-02 ppm1      0.675 ppm2      7.743 CV     1
 OR { 4421}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4421}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4422}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 45   and name HZ  ))
      3.200     1.300     1.300 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.21654E-02 ppm1      0.673 ppm2      7.195 CV     1
 OR { 4422}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 45   and name HZ  ))
 OR { 4422}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 45   and name HZ  ))
 ASSI { 4423}
   (( segid "A   " and resid 9    and name HD23))
   (  segid "B   " and resid 45   and name HE% )
      2.800     1.000     1.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      0.672 ppm2      7.131 CV     1
 OR { 4423}
   (( segid "A   " and resid 9    and name HD22))
   (  segid "B   " and resid 45   and name HE% )
 OR { 4423}
   (( segid "A   " and resid 9    and name HD21))
   (  segid "B   " and resid 45   and name HE% )
 ASSI { 4424}
   (( segid "B   " and resid 9    and name HD23))
   (  segid "A   " and resid 45   and name HE% )
      3.000     1.100     1.100 peak  4424 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      0.676 ppm2      7.013 CV     1
 OR { 4424}
   (( segid "B   " and resid 9    and name HD22))
   (  segid "A   " and resid 45   and name HE% )
 OR { 4424}
   (( segid "B   " and resid 9    and name HD21))
   (  segid "A   " and resid 45   and name HE% )
 ASSI { 4427}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 83   and name H   ))
      4.700     2.800     1.300 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.84060E-03 ppm1      0.677 ppm2      8.963 CV     1
 OR { 4427}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 83   and name H   ))
 OR { 4427}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 83   and name H   ))
 ASSI { 4430}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  4430 spectrum    1 weight  0.10000E+01 volume  0.13491E-02 ppm1      0.675 ppm2      3.316 CV     1
 OR { 4430}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 79   and name HA  ))
 OR { 4430}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 79   and name HA  ))
 ASSI { 4435}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 5    and name HG  ))
      3.500     1.600     1.600 peak  4435 spectrum    1 weight  0.10000E+01 volume  0.16938E-02 ppm1      0.674 ppm2      1.831 CV     1
 OR { 4435}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 5    and name HG  ))
 OR { 4435}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 5    and name HG  ))
 ASSI { 4436}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 83   and name HB1 ))
      3.900     1.900     1.900 peak  4436 spectrum    1 weight  0.10000E+01 volume  0.24754E-02 ppm1      0.675 ppm2      1.741 CV     1
 OR { 4436}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4436}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 83   and name HB2 ))
 ASSI { 4438}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name HB3 ))
      3.000     1.100     1.100 peak  4438 spectrum    1 weight  0.10000E+01 volume  0.46298E-02 ppm1      0.675 ppm2      1.358 CV     1
 OR { 4438}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 9    and name HB3 ))
 OR { 4438}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name HB3 ))
 ASSI { 4440}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD12))
      2.700     0.900     0.900 peak  4440 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      0.674 ppm2      1.066 CV     1
 OR { 4440}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4440}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD11))
 ASSI { 4444}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 82   and name HG22))
      2.500     0.800     0.800 peak  4444 spectrum    1 weight  0.10000E+01 volume  0.87938E-02 ppm1      0.676 ppm2      0.048 CV     1
 OR { 4444}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 82   and name HG22))
 OR { 4444}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 82   and name HG22))
 ASSI { 4446}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 82   and name HD13))
      2.900     1.100     1.100 peak  4446 spectrum    1 weight  0.10000E+01 volume  0.37132E-02 ppm1      0.676 ppm2     -0.108 CV     1
 OR { 4446}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 82   and name HD12))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 82   and name HD13))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 82   and name HD12))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 82   and name HD13))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 82   and name HD11))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 82   and name HD11))
 OR { 4446}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 82   and name HD12))
 ASSI { 4449}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 11   and name H   ))
      3.800     1.800     1.800 peak  4449 spectrum    1 weight  0.10000E+01 volume  0.66458E-03 ppm1      4.257 ppm2      8.456 CV     1
 ASSI { 4450}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
      3.000     1.200     1.200 peak  4450 spectrum    1 weight  0.10000E+01 volume  0.18628E-02 ppm1      4.257 ppm2      2.200 CV     1
 ASSI { 4451}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 12   and name HG3 ))
      3.100     1.200     1.200 peak  4451 spectrum    1 weight  0.10000E+01 volume  0.83692E-03 ppm1      4.261 ppm2      2.375 CV     1
 ASSI { 4454}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 12   and name HE2 ))
      3.300     1.400     1.400 peak  4454 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      4.258 ppm2      1.905 CV     1
 OR { 4454}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4454}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 12   and name HE3 ))
 ASSI { 4455}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB3 ))
      2.600     0.800     0.800 peak  4455 spectrum    1 weight  0.10000E+01 volume  0.15966E-02 ppm1      4.255 ppm2      1.425 CV     1
 ASSI { 4464}
   (( segid "A   " and resid 9    and name HB3 ))
   (( segid "A   " and resid 9    and name HG  ))
      2.700     0.900     0.900 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.82543E-03 ppm1      1.424 ppm2      1.923 CV     1
 ASSI { 4467}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name H   ))
      4.000     2.000     2.000 peak  4467 spectrum    1 weight  0.10000E+01 volume  0.98538E-03 ppm1      0.817 ppm2      7.941 CV     1
 OR { 4467}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name H   ))
 OR { 4467}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name H   ))
 ASSI { 4468}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name H   ))
      2.500     0.800     0.800 peak  4468 spectrum    1 weight  0.10000E+01 volume  0.42592E-02 ppm1      0.819 ppm2      7.835 CV     1
 OR { 4468}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4468}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4470}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 83   and name H   ))
      2.800     1.000     1.000 peak  4470 spectrum    1 weight  0.10000E+01 volume  0.40839E-02 ppm1      0.818 ppm2      8.815 CV     1
 OR { 4470}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 83   and name H   ))
 OR { 4470}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 83   and name H   ))
 ASSI { 4471}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name H   ))
      4.500     2.600     1.500 peak  4471 spectrum    1 weight  0.10000E+01 volume  0.78966E-03 ppm1      0.818 ppm2      8.589 CV     1
 OR { 4471}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name H   ))
 OR { 4471}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name H   ))
 ASSI { 4474}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 45   and name HZ  ))
      5.100     3.200     0.900 peak  4474 spectrum    1 weight  0.10000E+01 volume  0.58871E-03 ppm1      0.819 ppm2      7.194 CV     1
 OR { 4474}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 45   and name HZ  ))
 OR { 4474}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 45   and name HZ  ))
 ASSI { 4475}
   (( segid "A   " and resid 9    and name HD13))
   (  segid "B   " and resid 45   and name HE% )
      4.600     2.700     1.400 peak  4475 spectrum    1 weight  0.10000E+01 volume  0.77406E-03 ppm1      0.820 ppm2      7.135 CV     1
 OR { 4475}
   (( segid "A   " and resid 9    and name HD11))
   (  segid "B   " and resid 45   and name HE% )
 OR { 4475}
   (( segid "A   " and resid 9    and name HD12))
   (  segid "B   " and resid 45   and name HE% )
 ASSI { 4476}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HA  ))
      2.000     0.500     0.500 peak  4476 spectrum    1 weight  0.10000E+01 volume  0.12468E-01 ppm1      0.819 ppm2      4.259 CV     1
 OR { 4476}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4476}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HA  ))
 ASSI { 4479}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak  4479 spectrum    1 weight  0.10000E+01 volume  0.16614E-02 ppm1      0.820 ppm2      3.286 CV     1
 OR { 4479}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name HA  ))
 OR { 4479}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI { 4480}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      0.819 ppm2      2.574 CV     1
 OR { 4480}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4480}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI { 4481}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HG2 ))
      4.100     2.100     1.900 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.81652E-03 ppm1      0.820 ppm2      2.850 CV     1
 OR { 4481}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4481}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI { 4482}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  4482 spectrum    1 weight  0.10000E+01 volume  0.55403E-02 ppm1      0.819 ppm2      2.200 CV     1
 OR { 4482}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4482}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI { 4484}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HG  ))
      2.000     0.500     0.500 peak  4484 spectrum    1 weight  0.10000E+01 volume  0.91515E-02 ppm1      0.818 ppm2      1.933 CV     1
 OR { 4484}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 4484}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HG  ))
 ASSI { 4486}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 83   and name HB1 ))
      2.200     0.600     0.600 peak  4486 spectrum    1 weight  0.10000E+01 volume  0.11369E-01 ppm1      0.819 ppm2      1.738 CV     1
 OR { 4486}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4486}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 83   and name HB1 ))
 OR { 4486}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4486}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4486}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4486}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 83   and name HB2 ))
 ASSI { 4487}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HB  ))
      2.700     0.900     0.900 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.27377E-02 ppm1      0.818 ppm2      1.661 CV     1
 OR { 4487}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name HB  ))
 OR { 4487}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name HB  ))
 ASSI { 4488}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HB3 ))
      2.400     0.700     0.700 peak  4488 spectrum    1 weight  0.10000E+01 volume  0.81264E-02 ppm1      0.819 ppm2      1.429 CV     1
 OR { 4488}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HB3 ))
 OR { 4488}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HB3 ))
 ASSI { 4489}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name HG  ))
      3.800     1.800     1.800 peak  4489 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      0.818 ppm2      1.215 CV     1
 OR { 4489}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name HG  ))
 OR { 4489}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD13))
      3.300     1.300     1.300 peak  4490 spectrum    1 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.818 ppm2      1.041 CV     1
 OR { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4490}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 5    and name HD23))
 ASSI { 4491}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HD21))
      2.100     0.600     0.600 peak  4491 spectrum    1 weight  0.10000E+01 volume  0.15355E-01 ppm1      0.819 ppm2      0.672 CV     1
 OR { 4491}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4491}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HD23))
 ASSI { 4492}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HD13))
      4.100     2.100     1.900 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      0.817 ppm2     -0.164 CV     1
 OR { 4492}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HD11))
 OR { 4492}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name HD13))
 OR { 4492}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name HD11))
 OR { 4492}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HD12))
 OR { 4492}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name HD11))
 OR { 4492}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name HD13))
 ASSI { 4493}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HG22))
      3.200     1.200     1.200 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.58438E-02 ppm1      0.819 ppm2      0.254 CV     1
 OR { 4493}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name HG22))
 OR { 4493}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HG23))
 OR { 4493}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name HG22))
 OR { 4493}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HG21))
 OR { 4493}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 82   and name HG23))
 OR { 4493}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 82   and name HG23))
 ASSI { 4495}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HB3 ))
      3.200     1.300     1.300 peak  4495 spectrum    1 weight  0.10000E+01 volume  0.40384E-02 ppm1      0.672 ppm2      1.424 CV     1
 OR { 4495}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HB3 ))
 OR { 4495}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HB3 ))
 ASSI { 4497}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      0.672 ppm2      4.263 CV     1
 OR { 4497}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4497}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HA  ))
 ASSI { 4498}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name H   ))
      2.500     0.800     0.800 peak  4498 spectrum    1 weight  0.10000E+01 volume  0.32232E-02 ppm1      0.673 ppm2      7.824 CV     1
 OR { 4498}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4498}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4502}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name H   ))
      3.300     1.400     1.400 peak  4502 spectrum    1 weight  0.10000E+01 volume  0.11564E-02 ppm1      4.159 ppm2      8.531 CV     1
 ASSI { 4503}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name H   ))
      3.300     1.400     1.400 peak  4503 spectrum    1 weight  0.10000E+01 volume  0.10424E-02 ppm1      4.169 ppm2      8.462 CV     1
 ASSI { 4504}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 9    and name H   ))
      3.400     1.400     1.400 peak  4504 spectrum    1 weight  0.10000E+01 volume  0.99971E-03 ppm1      4.154 ppm2      7.746 CV     1
 ASSI { 4505}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 9    and name H   ))
      3.000     1.100     1.100 peak  4505 spectrum    1 weight  0.10000E+01 volume  0.20328E-02 ppm1      4.166 ppm2      7.828 CV     1
 ASSI { 4534}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name H   ))
      2.300     0.600     0.600 peak  4534 spectrum    1 weight  0.10000E+01 volume  0.62774E-02 ppm1      1.692 ppm2      7.830 CV     1
 OR { 4534}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4534}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4535}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name H   ))
      2.300     0.600     0.600 peak  4535 spectrum    1 weight  0.10000E+01 volume  0.65050E-02 ppm1      1.688 ppm2      7.742 CV     1
 OR { 4535}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4535}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4537}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name H   ))
      3.600     1.600     1.600 peak  4537 spectrum    1 weight  0.10000E+01 volume  0.16487E-02 ppm1      1.690 ppm2      8.802 CV     1
 OR { 4537}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4537}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4538}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name H   ))
      3.600     1.600     1.600 peak  4538 spectrum    1 weight  0.10000E+01 volume  0.18682E-02 ppm1      1.691 ppm2      8.674 CV     1
 OR { 4538}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4538}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4539}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name H   ))
      3.600     1.600     1.600 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.19786E-02 ppm1      1.689 ppm2      8.529 CV     1
 OR { 4539}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name H   ))
 OR { 4539}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name H   ))
 ASSI { 4540}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 11   and name H   ))
      3.500     1.500     1.500 peak  4540 spectrum    1 weight  0.10000E+01 volume  0.20111E-02 ppm1      1.690 ppm2      8.457 CV     1
 OR { 4540}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4540}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name H   ))
 ASSI { 4542}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 8    and name H   ))
      2.100     0.600     0.600 peak  4542 spectrum    1 weight  0.10000E+01 volume  0.12884E-01 ppm1      1.692 ppm2      8.305 CV     1
 OR { 4542}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4542}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 8    and name H   ))
 ASSI { 4543}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 8    and name H   ))
      2.100     0.600     0.600 peak  4543 spectrum    1 weight  0.10000E+01 volume  0.13006E-01 ppm1      1.688 ppm2      8.238 CV     1
 OR { 4543}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4543}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4544}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HG2 ))
      3.000     1.200     1.200 peak  4544 spectrum    1 weight  0.10000E+01 volume  0.20807E-02 ppm1      4.277 ppm2      1.602 CV     1
 OR { 4544}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HG3 ))
 ASSI { 4545}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HD3 ))
      3.200     1.300     1.300 peak  4545 spectrum    1 weight  0.10000E+01 volume  0.12598E-02 ppm1      4.280 ppm2      1.805 CV     1
 OR { 4545}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HD2 ))
 ASSI { 4546}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.26532E-02 ppm1      4.278 ppm2      1.980 CV     1
 ASSI { 4547}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.33555E-02 ppm1      4.279 ppm2      2.074 CV     1
 ASSI { 4549}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 10   and name H   ))
      3.200     1.300     1.300 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.14737E-02 ppm1      4.281 ppm2      7.757 CV     1
 ASSI { 4551}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name H   ))
      3.300     1.400     1.400 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.12971E-02 ppm1      4.280 ppm2      8.306 CV     1
 ASSI { 4552}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 11   and name H   ))
      3.500     1.600     1.600 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.70077E-03 ppm1      4.280 ppm2      8.449 CV     1
 ASSI { 4553}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name H   ))
      2.600     0.900     0.900 peak  4553 spectrum    1 weight  0.10000E+01 volume  0.27832E-02 ppm1      4.250 ppm2      8.249 CV     1
 ASSI { 4555}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak  4555 spectrum    1 weight  0.10000E+01 volume  0.31625E-02 ppm1      4.253 ppm2      3.037 CV     1
 ASSI { 4556}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak  4556 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      4.252 ppm2      2.063 CV     1
 ASSI { 4557}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak  4557 spectrum    1 weight  0.10000E+01 volume  0.25751E-02 ppm1      4.252 ppm2      1.980 CV     1
 ASSI { 4558}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HD3 ))
      3.300     1.300     1.300 peak  4558 spectrum    1 weight  0.10000E+01 volume  0.12071E-02 ppm1      4.250 ppm2      1.811 CV     1
 OR { 4558}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HD2 ))
 ASSI { 4559}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HG3 ))
      3.700     1.700     1.700 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.18043E-02 ppm1      4.251 ppm2      1.566 CV     1
 ASSI { 4560}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "B   " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak  4560 spectrum    1 weight  0.10000E+01 volume  0.12674E-02 ppm1      4.250 ppm2      1.626 CV     1
 ASSI { 4565}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name H   ))
      2.400     0.700     0.700 peak  4565 spectrum    1 weight  0.10000E+01 volume  0.30975E-02 ppm1      2.064 ppm2      8.248 CV     1
 ASSI { 4566}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name H   ))
      2.500     0.800     0.800 peak  4566 spectrum    1 weight  0.10000E+01 volume  0.24060E-02 ppm1      2.079 ppm2      8.058 CV     1
 ASSI { 4567}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 8    and name H   ))
      2.700     0.900     0.900 peak  4567 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      2.081 ppm2      8.302 CV     1
 ASSI { 4571}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 7    and name H   ))
      3.400     1.400     1.400 peak  4571 spectrum    1 weight  0.10000E+01 volume  0.28135E-02 ppm1      1.984 ppm2      8.250 CV     1
 ASSI { 4572}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 8    and name H   ))
      3.100     1.200     1.200 peak  4572 spectrum    1 weight  0.10000E+01 volume  0.28482E-02 ppm1      1.972 ppm2      8.294 CV     1
 ASSI { 4573}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 7    and name H   ))
      3.400     1.500     1.500 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.25664E-02 ppm1      1.980 ppm2      8.055 CV     1
 ASSI { 4580}
   (( segid "A   " and resid 7    and name HG2 ))
   (( segid "A   " and resid 7    and name HE3 ))
      2.800     1.000     1.000 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.40361E-02 ppm1      1.629 ppm2      3.066 CV     1
 OR { 4580}
   (( segid "A   " and resid 7    and name HG2 ))
   (( segid "A   " and resid 7    and name HE2 ))
 ASSI { 4581}
   (( segid "A   " and resid 7    and name HG2 ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.300     0.700     0.700 peak  4581 spectrum    1 weight  0.10000E+01 volume  0.52933E-02 ppm1      1.631 ppm2      2.071 CV     1
 ASSI { 4582}
   (( segid "B   " and resid 7    and name HG2 ))
   (( segid "B   " and resid 7    and name H   ))
      2.500     0.800     0.800 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      1.622 ppm2      8.252 CV     1
 ASSI { 4583}
   (( segid "A   " and resid 7    and name HG2 ))
   (( segid "A   " and resid 7    and name H   ))
      2.600     0.800     0.800 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      1.636 ppm2      8.059 CV     1
 ASSI { 4586}
   (( segid "A   " and resid 7    and name HG3 ))
   (( segid "A   " and resid 7    and name H   ))
      3.700     1.700     1.700 peak  4586 spectrum    1 weight  0.10000E+01 volume  0.18496E-02 ppm1      1.593 ppm2      8.054 CV     1
 ASSI { 4587}
   (( segid "A   " and resid 7    and name HG3 ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.300     0.700     0.700 peak  4587 spectrum    1 weight  0.10000E+01 volume  0.37998E-02 ppm1      1.588 ppm2      2.074 CV     1
 ASSI { 4589}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name H   ))
      2.800     1.000     1.000 peak  4589 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      4.063 ppm2      7.096 CV     1
 ASSI { 4590}
   (( segid "A   " and resid 84   and name HA  ))
   (  segid "B   " and resid 72   and name HE% )
      2.900     1.000     1.000 peak  4590 spectrum    1 weight  0.10000E+01 volume  0.22933E-02 ppm1      4.060 ppm2      7.001 CV     1
 ASSI { 4592}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 7    and name H   ))
      3.600     1.600     1.600 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.85988E-03 ppm1      4.062 ppm2      8.058 CV     1
 ASSI { 4603}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 5    and name HB3 ))
      2.000     0.500     0.500 peak  4603 spectrum    1 weight  0.10000E+01 volume  0.17020E-02 ppm1      2.111 ppm2      1.656 CV     1
 ASSI { 4604}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 5    and name HG  ))
      2.700     0.900     0.900 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1      2.115 ppm2      1.838 CV     1
 ASSI { 4607}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  4607 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      1.657 ppm2      4.280 CV     1
 ASSI { 4609}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "B   " and resid 5    and name HD11))
      2.200     0.600     0.600 peak  4609 spectrum    1 weight  0.10000E+01 volume  0.44891E-02 ppm1      1.838 ppm2      1.078 CV     1
 OR { 4609}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4609}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "B   " and resid 5    and name HD13))
 ASSI { 4610}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HD22))
      2.300     0.600     0.600 peak  4610 spectrum    1 weight  0.10000E+01 volume  0.49140E-02 ppm1      1.814 ppm2      1.052 CV     1
 OR { 4610}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4610}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4610}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4610}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HD13))
 ASSI { 4614}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 5    and name HA  ))
      3.400     1.400     1.400 peak  4614 spectrum    1 weight  0.10000E+01 volume  0.16138E-02 ppm1      1.813 ppm2      4.287 CV     1
 ASSI { 4615}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "B   " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.60714E-02 ppm1      1.073 ppm2      2.115 CV     1
 OR { 4615}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "B   " and resid 5    and name HB2 ))
 OR { 4615}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI { 4618}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak  4618 spectrum    1 weight  0.10000E+01 volume  0.62080E-02 ppm1      1.045 ppm2      2.164 CV     1
 OR { 4618}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 5    and name HB2 ))
 OR { 4618}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "A   " and resid 5    and name HB2 ))
 ASSI { 4619}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.39557E-02 ppm1      1.071 ppm2      2.414 CV     1
 OR { 4619}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 4619}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI { 4621}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "B   " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak  4621 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      1.074 ppm2      4.065 CV     1
 OR { 4621}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4621}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI { 4623}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "B   " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak  4623 spectrum    1 weight  0.10000E+01 volume  0.26076E-02 ppm1      1.071 ppm2      4.283 CV     1
 OR { 4623}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4623}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 4624}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "B   " and resid 6    and name H   ))
      3.800     1.800     1.800 peak  4624 spectrum    1 weight  0.10000E+01 volume  0.10697E-02 ppm1      1.072 ppm2      7.077 CV     1
 OR { 4624}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4624}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4624}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4627}
   (( segid "B   " and resid 5    and name HD11))
   (  segid "A   " and resid 75   and name HE% )
      2.900     1.100     1.100 peak  4627 spectrum    1 weight  0.10000E+01 volume  0.15440E-02 ppm1      1.073 ppm2      6.710 CV     1
 OR { 4627}
   (( segid "B   " and resid 5    and name HD12))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 4628}
   (( segid "A   " and resid 5    and name HD11))
   (  segid "B   " and resid 75   and name HE% )
      3.600     1.600     1.600 peak  4628 spectrum    1 weight  0.10000E+01 volume  0.13979E-02 ppm1      1.041 ppm2      6.654 CV     1
 OR { 4628}
   (( segid "A   " and resid 5    and name HD13))
   (  segid "B   " and resid 75   and name HE% )
 OR { 4628}
   (( segid "A   " and resid 5    and name HD12))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 4631}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "B   " and resid 5    and name H   ))
      3.900     1.900     1.900 peak  4631 spectrum    1 weight  0.10000E+01 volume  0.15867E-02 ppm1      1.074 ppm2     10.859 CV     1
 OR { 4631}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "B   " and resid 5    and name H   ))
 OR { 4631}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "B   " and resid 5    and name H   ))
 ASSI { 4632}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 5    and name H   ))
      4.100     2.100     1.900 peak  4632 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      1.042 ppm2     10.746 CV     1
 OR { 4632}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 5    and name H   ))
 OR { 4632}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "A   " and resid 5    and name H   ))
 ASSI { 4633}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name H   ))
      3.000     1.100     1.100 peak  4633 spectrum    1 weight  0.10000E+01 volume  0.77274E-03 ppm1      4.288 ppm2     10.752 CV     1
 ASSI { 4634}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name H   ))
      2.900     1.100     1.100 peak  4634 spectrum    1 weight  0.10000E+01 volume  0.88329E-03 ppm1      4.289 ppm2     10.862 CV     1
 ASSI { 4635}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 5    and name H   ))
      2.600     0.900     0.900 peak  4635 spectrum    1 weight  0.10000E+01 volume  0.68127E-03 ppm1      2.107 ppm2     10.863 CV     1
 ASSI { 4636}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD21))
      2.200     0.600     0.600 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.75130E-02 ppm1      1.073 ppm2      0.441 CV     1
 OR { 4636}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4636}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4636}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4636}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4636}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4636}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD23))
 ASSI { 4637}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD13))
      2.700     0.900     0.900 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.34378E-02 ppm1      1.074 ppm2      0.563 CV     1
 OR { 4637}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4637}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 79   and name HD11))
 ASSI { 4638}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD22))
      2.400     0.700     0.700 peak  4638 spectrum    1 weight  0.10000E+01 volume  0.67456E-02 ppm1      1.073 ppm2      0.701 CV     1
 OR { 4638}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD22))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD23))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HD22))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD23))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD21))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HD23))
 OR { 4638}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD21))
 ASSI { 4641}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 5    and name HA  ))
      2.100     0.500     0.500 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.10168E-01 ppm1      1.107 ppm2      4.288 CV     1
 OR { 4641}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4641}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 4643}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.80829E-02 ppm1      1.107 ppm2      4.066 CV     1
 OR { 4643}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4643}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 4644}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.28981E-02 ppm1      1.107 ppm2      2.843 CV     1
 OR { 4644}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4644}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI { 4645}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HB2 ))
      2.300     2.300     3.700 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.18849E-02 ppm1      1.106 ppm2      2.573 CV     1
 OR { 4645}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4645}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI { 4649}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.36742E-02 ppm1      1.106 ppm2      2.110 CV     1
 OR { 4649}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 5    and name HB2 ))
 OR { 4649}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI { 4650}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 15   and name HG21))
      2.900     1.100     1.100 peak  4650 spectrum    1 weight  0.10000E+01 volume  0.52216E-02 ppm1      1.107 ppm2      1.536 CV     1
 OR { 4650}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 15   and name HG22))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4650}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 15   and name HG22))
 ASSI { 4651}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name HB3 ))
      2.500     0.800     0.800 peak  4651 spectrum    1 weight  0.10000E+01 volume  0.11679E-01 ppm1      1.107 ppm2      1.681 CV     1
 OR { 4651}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4651}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 8    and name HB1 ))
 ASSI { 4652}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 5    and name HG  ))
      2.000     0.500     0.500 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.89068E-02 ppm1      1.107 ppm2      1.844 CV     1
 OR { 4652}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 5    and name HG  ))
 OR { 4652}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 5    and name HG  ))
 ASSI { 4654}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 5    and name HB3 ))
      2.800     1.000     1.000 peak  4654 spectrum    1 weight  0.10000E+01 volume  0.51742E-02 ppm1      1.107 ppm2      1.648 CV     1
 OR { 4654}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 5    and name HB3 ))
 OR { 4654}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 5    and name HB3 ))
 ASSI { 4658}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD13))
      3.900     1.900     1.900 peak  4658 spectrum    1 weight  0.10000E+01 volume  0.14521E-02 ppm1      1.106 ppm2      0.820 CV     1
 OR { 4658}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4658}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD12))
 ASSI { 4660}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD13))
      2.400     0.700     0.700 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.67607E-02 ppm1      1.107 ppm2      0.564 CV     1
 OR { 4660}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4660}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 79   and name HD12))
 ASSI { 4661}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD21))
      3.000     1.100     1.100 peak  4661 spectrum    1 weight  0.10000E+01 volume  0.53476E-02 ppm1      1.107 ppm2      0.440 CV     1
 OR { 4661}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4661}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4661}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4661}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4661}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4661}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 79   and name HD22))
 ASSI { 4663}
   (( segid "B   " and resid 5    and name HD23))
   (  segid "A   " and resid 75   and name HE% )
      2.500     2.500     3.500 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.11982E-02 ppm1      1.105 ppm2      6.695 CV     1
 OR { 4663}
   (( segid "B   " and resid 5    and name HD22))
   (  segid "A   " and resid 75   and name HE% )
 OR { 4663}
   (( segid "B   " and resid 5    and name HD21))
   (  segid "A   " and resid 75   and name HE% )
 ASSI { 4664}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 6    and name H   ))
      3.700     1.700     1.700 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.12087E-02 ppm1      1.107 ppm2      7.080 CV     1
 OR { 4664}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4667}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name H   ))
      3.900     1.900     1.900 peak  4667 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      1.106 ppm2      7.742 CV     1
 OR { 4667}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4667}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4669}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name H   ))
      3.200     1.300     1.300 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.17209E-02 ppm1      1.106 ppm2      8.798 CV     1
 OR { 4669}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4669}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4670}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 15   and name H   ))
      3.600     1.600     1.600 peak  4670 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      1.107 ppm2      8.618 CV     1
 OR { 4670}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 15   and name H   ))
 OR { 4670}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 15   and name H   ))
 ASSI { 4672}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name H   ))
      3.700     1.700     1.700 peak  4672 spectrum    1 weight  0.10000E+01 volume  0.16367E-02 ppm1      1.105 ppm2      8.242 CV     1
 OR { 4672}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4672}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4673}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 5    and name H   ))
      3.500     1.500     1.500 peak  4673 spectrum    1 weight  0.10000E+01 volume  0.17894E-02 ppm1      1.106 ppm2     10.860 CV     1
 OR { 4673}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 5    and name H   ))
 OR { 4673}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 5    and name H   ))
 ASSI { 4674}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 5    and name H   ))
      3.400     1.500     1.500 peak  4674 spectrum    1 weight  0.10000E+01 volume  0.74588E-03 ppm1      1.654 ppm2     10.865 CV     1
 ASSI { 4675}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "B   " and resid 5    and name H   ))
      4.900     2.900     1.100 peak  4675 spectrum    1 weight  0.10000E+01 volume  0.44197E-03 ppm1      1.846 ppm2     10.865 CV     1
 ASSI { 4676}
   (( segid "A   " and resid 5    and name HB2 ))
   (( segid "A   " and resid 5    and name H   ))
      2.600     0.800     0.800 peak  4676 spectrum    1 weight  0.10000E+01 volume  0.81219E-03 ppm1      2.157 ppm2     10.747 CV     1
 ASSI { 4677}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name H   ))
      3.400     1.400     1.400 peak  4677 spectrum    1 weight  0.10000E+01 volume  0.76538E-03 ppm1      1.615 ppm2     10.743 CV     1
 ASSI { 4678}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HD12))
      2.700     0.900     0.900 peak  4678 spectrum    1 weight  0.10000E+01 volume  0.26098E-02 ppm1      1.622 ppm2      1.052 CV     1
 OR { 4678}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4678}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4678}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4678}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HD22))
 ASSI { 4679}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HG  ))
      2.700     0.900     0.900 peak  4679 spectrum    1 weight  0.10000E+01 volume  0.94376E-03 ppm1      1.619 ppm2      1.818 CV     1
 ASSI { 4680}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 79   and name HD22))
      2.200     0.600     0.600 peak  4680 spectrum    1 weight  0.10000E+01 volume  0.95331E-02 ppm1      1.043 ppm2      0.464 CV     1
 OR { 4680}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4680}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 79   and name HD12))
 ASSI { 4682}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD13))
      2.300     0.700     0.700 peak  4682 spectrum    1 weight  0.10000E+01 volume  0.65179E-02 ppm1      1.042 ppm2      0.779 CV     1
 OR { 4682}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HD13))
 OR { 4682}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HD13))
 OR { 4682}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4682}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4682}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4682}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD12))
 ASSI { 4683}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 37   and name HD22))
      3.000     1.100     1.100 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.34249E-02 ppm1      1.040 ppm2      0.853 CV     1
 OR { 4683}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 37   and name HD22))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 37   and name HD21))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 37   and name HD21))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 37   and name HD23))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 37   and name HD22))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 37   and name HD23))
 OR { 4683}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 37   and name HD21))
 ASSI { 4684}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 5    and name HB3 ))
      2.300     0.700     0.700 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.50483E-02 ppm1      1.044 ppm2      1.620 CV     1
 OR { 4684}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 5    and name HB3 ))
 OR { 4684}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI { 4686}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name H   ))
      3.400     1.400     1.400 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.15637E-02 ppm1      1.059 ppm2      8.672 CV     1
 OR { 4686}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4686}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4688}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 5    and name H   ))
      3.700     1.700     1.700 peak  4688 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      1.056 ppm2     10.741 CV     1
 OR { 4688}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 5    and name H   ))
 OR { 4688}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 5    and name H   ))
 ASSI { 4689}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name H   ))
      4.300     2.300     1.700 peak  4689 spectrum    1 weight  0.10000E+01 volume  0.92687E-03 ppm1      1.056 ppm2      7.831 CV     1
 OR { 4689}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4689}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4691}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 6    and name H   ))
      4.600     2.600     1.400 peak  4691 spectrum    1 weight  0.10000E+01 volume  0.78575E-03 ppm1      1.058 ppm2      7.108 CV     1
 OR { 4691}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4691}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 6    and name H   ))
 ASSI { 4692}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 16   and name H   ))
      4.300     2.300     1.700 peak  4692 spectrum    1 weight  0.10000E+01 volume  0.56423E-03 ppm1      1.054 ppm2      6.986 CV     1
 OR { 4692}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 16   and name H   ))
 OR { 4692}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 16   and name H   ))
 ASSI { 4694}
   (( segid "A   " and resid 5    and name HD23))
   (  segid "B   " and resid 75   and name HE% )
      3.600     1.600     1.600 peak  4694 spectrum    1 weight  0.10000E+01 volume  0.10957E-02 ppm1      1.058 ppm2      6.652 CV     1
 OR { 4694}
   (( segid "A   " and resid 5    and name HD22))
   (  segid "B   " and resid 75   and name HE% )
 OR { 4694}
   (( segid "A   " and resid 5    and name HD21))
   (  segid "B   " and resid 75   and name HE% )
 ASSI { 4697}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 5    and name HA  ))
      2.100     0.600     0.600 peak  4697 spectrum    1 weight  0.10000E+01 volume  0.89740E-02 ppm1      1.057 ppm2      4.288 CV     1
 OR { 4697}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4697}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI { 4699}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HA  ))
      2.300     0.600     0.600 peak  4699 spectrum    1 weight  0.10000E+01 volume  0.74914E-02 ppm1      1.057 ppm2      4.046 CV     1
 OR { 4699}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4699}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4700}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak  4700 spectrum    1 weight  0.10000E+01 volume  0.21297E-02 ppm1      1.058 ppm2      2.696 CV     1
 OR { 4700}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4700}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI { 4701}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HG3 ))
      2.900     1.000     1.000 peak  4701 spectrum    1 weight  0.10000E+01 volume  0.63597E-02 ppm1      1.057 ppm2      2.397 CV     1
 OR { 4701}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4701}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI { 4702}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak  4702 spectrum    1 weight  0.10000E+01 volume  0.38605E-02 ppm1      1.057 ppm2      2.169 CV     1
 OR { 4702}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 5    and name HB2 ))
 OR { 4702}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 5    and name HB2 ))
 ASSI { 4704}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 5    and name HG  ))
      2.100     0.500     0.500 peak  4704 spectrum    1 weight  0.10000E+01 volume  0.79182E-02 ppm1      1.057 ppm2      1.810 CV     1
 OR { 4704}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 5    and name HG  ))
 OR { 4704}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 5    and name HG  ))
 ASSI { 4706}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 5    and name HB3 ))
      2.900     1.100     1.100 peak  4706 spectrum    1 weight  0.10000E+01 volume  0.43134E-02 ppm1      1.057 ppm2      1.615 CV     1
 OR { 4706}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 5    and name HB3 ))
 OR { 4706}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI { 4707}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 15   and name HG21))
      3.100     1.200     1.200 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.37630E-02 ppm1      1.057 ppm2      1.518 CV     1
 OR { 4707}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 15   and name HG22))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 15   and name HG21))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 15   and name HG21))
 OR { 4707}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 15   and name HG22))
 ASSI { 4708}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 11   and name HG23))
      2.400     0.700     0.700 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.78401E-02 ppm1      1.057 ppm2      0.936 CV     1
 OR { 4708}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4708}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 11   and name HG22))
 ASSI { 4709}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 79   and name HD22))
      2.400     0.700     0.700 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.92858E-02 ppm1      1.057 ppm2      0.467 CV     1
 OR { 4709}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4709}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 79   and name HD21))
 ASSI { 4711}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD13))
      3.800     1.800     1.800 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.20902E-02 ppm1      1.056 ppm2      0.789 CV     1
 OR { 4711}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 42   and name HD13))
 OR { 4711}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 42   and name HD13))
 OR { 4711}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4711}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4711}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 42   and name HD11))
 OR { 4711}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD12))
 ASSI { 4712}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD13))
      4.100     2.100     1.900 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.14956E-02 ppm1      1.056 ppm2      0.828 CV     1
 OR { 4712}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4712}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 9    and name HD12))
 ASSI { 4717}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 3    and name HB2 ))
      3.000     1.200     1.200 peak  4717 spectrum    1 weight  0.10000E+01 volume  0.21396E-02 ppm1      4.923 ppm2      3.575 CV     1
 ASSI { 4718}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.200     1.300     1.300 peak  4718 spectrum    1 weight  0.10000E+01 volume  0.16823E-02 ppm1      4.926 ppm2      3.661 CV     1
 ASSI { 4724}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 4    and name HD3 ))
      4.000     2.000     2.000 peak  4724 spectrum    1 weight  0.10000E+01 volume  0.15505E-02 ppm1      3.658 ppm2      4.080 CV     1
 OR { 4724}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI { 4725}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HB3 ))
      2.100     0.500     0.500 peak  4725 spectrum    1 weight  0.10000E+01 volume  0.26878E-02 ppm1      3.663 ppm2      2.951 CV     1
 ASSI { 4730}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 3    and name HB2 ))
      1.800     0.400     0.400 peak  4730 spectrum    1 weight  0.10000E+01 volume  0.55988E-02 ppm1      2.966 ppm2      3.573 CV     1
 ASSI { 4741}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 3    and name H   ))
      3.900     1.900     1.900 peak  4741 spectrum    1 weight  0.10000E+01 volume  0.81371E-03 ppm1      2.976 ppm2      8.871 CV     1
 ASSI { 4742}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name H   ))
      2.800     1.000     1.000 peak  4742 spectrum    1 weight  0.10000E+01 volume  0.30281E-02 ppm1      4.475 ppm2      8.119 CV     1
 ASSI { 4743}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 3    and name H   ))
      2.400     0.700     0.700 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.44868E-02 ppm1      4.474 ppm2      8.695 CV     1
 ASSI { 4747}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 2    and name H   ))
      2.300     0.700     0.700 peak  4747 spectrum    1 weight  0.10000E+01 volume  0.12763E-01 ppm1      1.483 ppm2      8.118 CV     1
 OR { 4747}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 2    and name H   ))
 OR { 4747}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 2    and name H   ))
 ASSI { 4748}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 3    and name H   ))
      3.400     1.400     1.400 peak  4748 spectrum    1 weight  0.10000E+01 volume  0.46298E-02 ppm1      1.483 ppm2      8.695 CV     1
 OR { 4748}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 3    and name H   ))
 OR { 4748}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name H   ))
 ASSI { 4753}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HD3 ))
      3.600     1.600     1.600 peak  4753 spectrum    1 weight  0.10000E+01 volume  0.25751E-02 ppm1      1.483 ppm2      4.050 CV     1
 OR { 4753}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 4    and name HD3 ))
 OR { 4753}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HD3 ))
 OR { 4753}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HD2 ))
 OR { 4753}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 4    and name HD2 ))
 OR { 4753}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HD2 ))
 ASSI { 4766}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 3    and name H   ))
      3.600     1.600     1.600 peak  4766 spectrum    1 weight  0.10000E+01 volume  0.31387E-02 ppm1      1.483 ppm2      8.873 CV     1
 OR { 4766}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 3    and name H   ))
 OR { 4766}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 3    and name H   ))
 ASSI { 4767}
   (( segid "B   " and resid 2    and name HA  ))
   (( segid "B   " and resid 3    and name HA  ))
      4.800     2.900     1.200 peak  4767 spectrum    1 weight  0.10000E+01 volume  0.10081E-02 ppm1      4.495 ppm2      4.928 CV     1
 ASSI { 4770}
   (( segid "A   " and resid 75   and name HB3 ))
   (  segid "A   " and resid 16   and name HE% )
      3.500     1.500     1.500 peak  4770 spectrum    1 weight  0.10000E+01 volume  0.56985E-03 ppm1      3.018 ppm2      6.281 CV     1
 ASSI { 4773}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "A   " and resid 72   and name HE% )
      4.500     2.600     1.500 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.90802E-03 ppm1      2.144 ppm2      7.004 CV     1
 OR { 4773}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "A   " and resid 72   and name HE% )
 ASSI { 4774}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 72   and name HZ  ))
      5.400     3.700     0.600 peak  4774 spectrum    1 weight  0.10000E+01 volume  0.52652E-03 ppm1      2.143 ppm2      6.925 CV     1
 OR { 4774}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 72   and name HZ  ))
 ASSI { 4776}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 82   and name HD13))
      4.400     2.400     1.600 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.62600E-03 ppm1      1.042 ppm2     -0.164 CV     1
 OR { 4776}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 82   and name HD13))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 82   and name HD13))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 82   and name HD12))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 82   and name HD11))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 82   and name HD12))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 82   and name HD11))
 OR { 4776}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 82   and name HD12))
 ASSI { 4779}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.50266E-02 ppm1      4.332 ppm2      2.553 CV     1
 ASSI { 4781}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HB3 ))
      2.300     0.700     0.700 peak  4781 spectrum    1 weight  0.10000E+01 volume  0.51806E-02 ppm1      4.332 ppm2      2.186 CV     1
 OR { 4781}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HG3 ))
 ASSI { 4782}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HD3 ))
      3.500     1.500     1.500 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.12329E-02 ppm1      4.332 ppm2      4.077 CV     1
 OR { 4782}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI { 4784}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 7    and name HB3 ))
      2.700     0.900     0.900 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.19389E-02 ppm1      4.332 ppm2      1.983 CV     1
 ASSI { 4787}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 11   and name HG13))
      3.800     1.800     1.800 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.65828E-03 ppm1      4.332 ppm2      1.263 CV     1
 OR { 4787}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4787}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 4788}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HD3 ))
      3.700     1.700     1.700 peak  4788 spectrum    1 weight  0.10000E+01 volume  0.88351E-03 ppm1      4.354 ppm2      4.044 CV     1
 OR { 4788}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HD2 ))
 ASSI { 4789}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak  4789 spectrum    1 weight  0.10000E+01 volume  0.51458E-02 ppm1      4.354 ppm2      2.537 CV     1
 ASSI { 4791}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HB3 ))
      2.300     0.600     0.600 peak  4791 spectrum    1 weight  0.10000E+01 volume  0.54083E-02 ppm1      4.354 ppm2      2.189 CV     1
 OR { 4791}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI { 4793}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB3 ))
      2.800     1.000     1.000 peak  4793 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      4.354 ppm2      1.975 CV     1
 ASSI { 4794}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 11   and name HG13))
      3.700     1.700     1.700 peak  4794 spectrum    1 weight  0.10000E+01 volume  0.82846E-03 ppm1      4.354 ppm2      1.263 CV     1
 OR { 4794}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4794}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 11   and name HG11))
 ASSI { 4795}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak  4795 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      2.379 ppm2      4.333 CV     1
 ASSI { 4796}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak  4796 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      2.357 ppm2      4.346 CV     1
 ASSI { 4798}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 4    and name HD2 ))
      2.600     0.800     0.800 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.33532E-02 ppm1      2.381 ppm2      4.083 CV     1
 OR { 4798}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 4    and name HD3 ))
 ASSI { 4799}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 4    and name HD2 ))
      2.600     0.800     0.800 peak  4799 spectrum    1 weight  0.10000E+01 volume  0.33142E-02 ppm1      2.357 ppm2      4.053 CV     1
 OR { 4799}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 4    and name HD3 ))
 ASSI { 4800}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 4    and name HD3 ))
      2.700     0.900     0.900 peak  4800 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      2.198 ppm2      4.087 CV     1
 OR { 4800}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI { 4801}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 4    and name HD3 ))
      2.500     0.800     0.800 peak  4801 spectrum    1 weight  0.10000E+01 volume  0.36480E-02 ppm1      2.187 ppm2      4.045 CV     1
 OR { 4801}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 4    and name HD2 ))
 ASSI { 4802}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 3    and name HA  ))
      4.600     2.600     1.400 peak  4802 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      2.372 ppm2      4.919 CV     1
 ASSI { 4806}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 4    and name HD2 ))
      3.100     1.200     1.200 peak  4806 spectrum    1 weight  0.10000E+01 volume  0.23020E-02 ppm1      2.547 ppm2      4.070 CV     1
 OR { 4806}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 4    and name HD3 ))
 ASSI { 4810}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 4    and name HD3 ))
      3.600     1.600     1.600 peak  4810 spectrum    1 weight  0.10000E+01 volume  0.26770E-02 ppm1      2.188 ppm2      4.069 CV     1
 OR { 4810}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI { 4819}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG23))
      4.900     3.100     1.100 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.93465E-03 ppm1      2.348 ppm2      0.945 CV     1
 OR { 4819}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4819}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI { 4825}
   (( segid "A   " and resid 4    and name HD3 ))
   (( segid "A   " and resid 4    and name HG3 ))
      2.700     0.900     0.900 peak  4825 spectrum    1 weight  0.10000E+01 volume  0.35721E-02 ppm1      4.081 ppm2      2.189 CV     1
 OR { 4825}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4825}
   (( segid "A   " and resid 4    and name HD3 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4825}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 4    and name HB3 ))
 ASSI { 4828}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak  4828 spectrum    1 weight  0.10000E+01 volume  0.49333E-02 ppm1      4.076 ppm2      4.928 CV     1
 OR { 4828}
   (( segid "A   " and resid 4    and name HD3 ))
   (( segid "A   " and resid 3    and name HA  ))
 ASSI { 4829}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 3    and name HB3 ))
      4.500     2.500     1.500 peak  4829 spectrum    1 weight  0.10000E+01 volume  0.77338E-03 ppm1      4.081 ppm2      2.951 CV     1
 OR { 4829}
   (( segid "A   " and resid 4    and name HD3 ))
   (( segid "A   " and resid 3    and name HB3 ))
 ASSI { 4830}
   (( segid "B   " and resid 4    and name HD3 ))
   (( segid "B   " and resid 4    and name HG3 ))
      2.700     0.900     0.900 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.32124E-02 ppm1      4.048 ppm2      2.186 CV     1
 OR { 4830}
   (( segid "B   " and resid 4    and name HD2 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4830}
   (( segid "B   " and resid 4    and name HD3 ))
   (( segid "B   " and resid 4    and name HB3 ))
 ASSI { 4832}
   (( segid "B   " and resid 4    and name HD2 ))
   (( segid "B   " and resid 4    and name HB2 ))
      3.700     1.700     1.700 peak  4832 spectrum    1 weight  0.10000E+01 volume  0.80289E-03 ppm1      4.048 ppm2      2.543 CV     1
 OR { 4832}
   (( segid "B   " and resid 4    and name HD3 ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI { 4833}
   (( segid "B   " and resid 4    and name HD2 ))
   (( segid "B   " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  4833 spectrum    1 weight  0.10000E+01 volume  0.34249E-02 ppm1      4.045 ppm2      4.923 CV     1
 OR { 4833}
   (( segid "B   " and resid 4    and name HD3 ))
   (( segid "B   " and resid 3    and name HA  ))
 ASSI { 4834}
   (( segid "A   " and resid 14   and name HB2 ))
   (  segid "B   " and resid 90   and name HE% )
      4.200     2.200     1.800 peak  4834 spectrum    1 weight  0.10000E+01 volume  0.94030E-03 ppm1      4.099 ppm2      7.159 CV     1
 OR { 4834}
   (( segid "A   " and resid 14   and name HB3 ))
   (  segid "B   " and resid 90   and name HE% )
 ASSI { 4837}
   (( segid "A   " and resid 14   and name HA  ))
   (  segid "B   " and resid 90   and name HE% )
      3.600     1.600     1.600 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.82911E-03 ppm1      4.111 ppm2      7.156 CV     1
 ASSI {   53}
   (( segid "A   " and resid 29   and name H   ))
   (  segid "A   " and resid 27   and name HD% )
      3.800     1.800     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11887E-02 ppm1      9.654 ppm2      7.480 CV     1
 ASSI {   60}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      9.661 ppm2      1.712 CV     1
 OR {   60}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI {   75}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
      4.300     2.400     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.57059E-03 ppm1      7.940 ppm2      1.900 CV     1
 OR {   75}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI {   77}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 37   and name HB3 ))
      2.800     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.21810E-02 ppm1      7.943 ppm2      1.128 CV     1
 ASSI {   82}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 38   and name H   ))
      2.800     1.000     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.17859E-02 ppm1      7.942 ppm2      8.555 CV     1
 ASSI {   89}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 98   and name HD3 ))
      4.200     2.200     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.58441E-03 ppm1      8.379 ppm2      3.702 CV     1
 ASSI {   99}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 21   and name H   ))
      4.700     2.800     1.300 peak    99 spectrum    1 weight  0.10000E+01 volume  0.68673E-03 ppm1      9.606 ppm2      7.782 CV     1
 ASSI {  100}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 21   and name H   ))
      4.700     2.700     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.72870E-03 ppm1      9.616 ppm2      7.701 CV     1
 ASSI {  127}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 32   and name H   ))
      2.600     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.25397E-02 ppm1      8.691 ppm2      7.720 CV     1
 ASSI {  139}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 34   and name HB2 ))
      4.400     2.400     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.55678E-03 ppm1      8.691 ppm2      2.037 CV     1
 ASSI {  152}
   (( segid "A   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB3 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.11468E-01 ppm1      8.123 ppm2      1.480 CV     1
 OR {  152}
   (( segid "A   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB2 ))
 OR {  152}
   (( segid "A   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB1 ))
 ASSI {  157}
   (( segid "A   " and resid 2    and name H   ))
   (( segid "A   " and resid 3    and name H   ))
      3.400     1.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.29292E-02 ppm1      8.122 ppm2      8.686 CV     1
 ASSI {  159}
   (( segid "A   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name H   ))
      3.800     1.800     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.64479E-03 ppm1      8.122 ppm2      8.268 CV     1
 ASSI {  162}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 6    and name H   ))
      4.900     3.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.55471E-03 ppm1      8.688 ppm2      7.084 CV     1
 ASSI {  163}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.17921E-02 ppm1      8.683 ppm2      4.922 CV     1
 ASSI {  165}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 4    and name HD3 ))
      3.400     1.400     1.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.99277E-03 ppm1      8.682 ppm2      4.075 CV     1
 OR {  165}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI {  166}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.300     1.400     1.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.10531E-02 ppm1      8.687 ppm2      3.659 CV     1
 ASSI {  167}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 3    and name HB3 ))
      3.500     1.500     1.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17292E-02 ppm1      8.683 ppm2      2.945 CV     1
 ASSI {  168}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "B   " and resid 41   and name HG2 ))
      4.700     2.800     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.63507E-03 ppm1      8.688 ppm2      2.613 CV     1
 ASSI {  172}
   (( segid "B   " and resid 6    and name H   ))
   (( segid "B   " and resid 7    and name H   ))
      2.600     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      7.089 ppm2      8.248 CV     1
 ASSI {  173}
   (( segid "B   " and resid 6    and name H   ))
   (( segid "A   " and resid 43   and name HD3 ))
      4.000     2.000     2.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.12829E-02 ppm1      7.092 ppm2      3.225 CV     1
 ASSI {  174}
   (( segid "B   " and resid 6    and name H   ))
   (( segid "B   " and resid 7    and name HB2 ))
      4.100     2.100     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.67446E-03 ppm1      7.092 ppm2      2.074 CV     1
 ASSI {  175}
   (( segid "B   " and resid 6    and name H   ))
   (( segid "B   " and resid 5    and name HB3 ))
      3.400     1.500     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.56443E-03 ppm1      7.092 ppm2      1.667 CV     1
 ASSI {  176}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20807E-02 ppm1      7.096 ppm2      4.064 CV     1
 ASSI {  178}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 4    and name HB2 ))
      4.000     2.000     2.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.12087E-02 ppm1      7.103 ppm2      2.554 CV     1
 ASSI {  179}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "B   " and resid 41   and name HB2 ))
      4.300     2.300     1.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.97792E-03 ppm1      7.092 ppm2      2.419 CV     1
 ASSI {  181}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "B   " and resid 41   and name HG2 ))
      3.000     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.74355E-03 ppm1      7.094 ppm2      2.612 CV     1
 ASSI {  183}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 6    and name H   ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.18125E-02 ppm1      8.054 ppm2      7.108 CV     1
 ASSI {  185}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.27050E-02 ppm1      8.055 ppm2      4.276 CV     1
 ASSI {  189}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 6    and name HB3 ))
      3.200     1.300     1.300 peak   189 spectrum    1 weight  0.10000E+01 volume  0.60078E-03 ppm1      8.062 ppm2      2.205 CV     1
 OR {  189}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  192}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 7    and name HG2 ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.15265E-02 ppm1      8.058 ppm2      1.617 CV     1
 OR {  192}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 7    and name HG3 ))
 ASSI {  193}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 8    and name H   ))
      2.700     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.22547E-02 ppm1      8.057 ppm2      8.307 CV     1
 ASSI {  195}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 9    and name H   ))
      2.800     1.000     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      8.305 ppm2      7.824 CV     1
 ASSI {  197}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 6    and name H   ))
      3.700     1.700     1.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.60488E-03 ppm1      8.305 ppm2      7.112 CV     1
 ASSI {  200}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.38282E-02 ppm1      8.303 ppm2      4.165 CV     1
 ASSI {  206}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 7    and name HG2 ))
      4.200     2.200     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.11038E-02 ppm1      8.309 ppm2      1.613 CV     1
 OR {  206}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 7    and name HG3 ))
 ASSI {  208}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HD13))
      4.200     2.200     1.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.66626E-03 ppm1      8.305 ppm2      1.050 CV     1
 OR {  208}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HD21))
 OR {  208}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HD11))
 OR {  208}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HD23))
 OR {  208}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HD22))
 ASSI {  211}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.31052E-02 ppm1      7.730 ppm2      4.145 CV     1
 ASSI {  212}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      7.732 ppm2      4.064 CV     1
 ASSI {  213}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 10   and name HB2 ))
      4.700     2.800     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.55164E-03 ppm1      7.725 ppm2      3.030 CV     1
 OR {  213}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 10   and name HB3 ))
 ASSI {  214}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 12   and name HG3 ))
      3.900     1.900     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.65196E-03 ppm1      7.729 ppm2      2.408 CV     1
 OR {  214}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  214}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI {  215}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.24399E-02 ppm1      7.730 ppm2      2.182 CV     1
 ASSI {  216}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 9    and name HG  ))
      2.900     1.100     1.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.33768E-02 ppm1      7.731 ppm2      1.917 CV     1
 ASSI {  218}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 9    and name HB3 ))
      3.400     1.400     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.17941E-02 ppm1      7.733 ppm2      1.354 CV     1
 ASSI {  221}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 8    and name H   ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.20628E-02 ppm1      7.731 ppm2      8.237 CV     1
 ASSI {  222}
   (( segid "B   " and resid 9    and name H   ))
   (( segid "B   " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.70465E-03 ppm1      7.734 ppm2      4.261 CV     1
 ASSI {  223}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.41646E-02 ppm1      7.799 ppm2      4.599 CV     1
 ASSI {  224}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      7.800 ppm2      4.246 CV     1
 ASSI {  226}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.60488E-02 ppm1      7.799 ppm2      3.026 CV     1
 OR {  226}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 10   and name HB3 ))
 ASSI {  230}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 8    and name HB1 ))
      4.300     2.300     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.73077E-03 ppm1      7.804 ppm2      1.689 CV     1
 OR {  230}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 8    and name HB3 ))
 OR {  230}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 8    and name HB2 ))
 ASSI {  231}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HB3 ))
      3.700     1.700     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.13054E-02 ppm1      7.799 ppm2      1.351 CV     1
 ASSI {  234}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HD22))
      4.000     2.000     2.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.84845E-03 ppm1      7.798 ppm2      0.672 CV     1
 OR {  234}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  234}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HD21))
 ASSI {  235}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 12   and name H   ))
      4.000     2.000     2.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.56546E-03 ppm1      7.797 ppm2      8.664 CV     1
 ASSI {  236}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 11   and name H   ))
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.24972E-02 ppm1      7.799 ppm2      8.534 CV     1
 ASSI {  237}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 8    and name H   ))
      3.400     1.500     1.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      7.799 ppm2      8.236 CV     1
 ASSI {  239}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13899E-02 ppm1      8.535 ppm2      4.600 CV     1
 ASSI {  240}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.96820E-03 ppm1      8.540 ppm2      4.250 CV     1
 ASSI {  243}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 10   and name HB3 ))
      3.000     1.100     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.23294E-02 ppm1      8.536 ppm2      3.031 CV     1
 OR {  243}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 10   and name HB2 ))
 ASSI {  248}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 12   and name H   ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.22736E-02 ppm1      8.534 ppm2      8.668 CV     1
 ASSI {  250}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 13   and name H   ))
      2.700     0.900     0.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.19067E-02 ppm1      8.667 ppm2      8.294 CV     1
 ASSI {  251}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.62635E-03 ppm1      8.671 ppm2      4.603 CV     1
 ASSI {  253}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.24624E-02 ppm1      8.666 ppm2      4.047 CV     1
 ASSI {  256}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 12   and name HB2 ))
      2.100     0.500     0.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.77271E-02 ppm1      8.667 ppm2      2.395 CV     1
 OR {  256}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  256}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI {  263}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 79   and name HD23))
      4.900     3.000     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.60282E-03 ppm1      8.663 ppm2      0.464 CV     1
 OR {  263}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 79   and name HD12))
 OR {  263}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 79   and name HD22))
 OR {  263}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 79   and name HD11))
 OR {  263}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 79   and name HD13))
 ASSI {  268}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 47   and name HA2 ))
      3.200     1.300     1.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.24261E-02 ppm1      8.292 ppm2      4.159 CV     1
 ASSI {  269}
   (( segid "B   " and resid 13   and name H   ))
   (( segid "B   " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.20045E-02 ppm1      8.288 ppm2      4.081 CV     1
 ASSI {  270}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 47   and name HA3 ))
      2.800     1.000     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.21866E-02 ppm1      8.292 ppm2      3.744 CV     1
 ASSI {  271}
   (( segid "B   " and resid 13   and name H   ))
   (( segid "B   " and resid 13   and name HB  ))
      2.900     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.59106E-02 ppm1      8.291 ppm2      2.397 CV     1
 ASSI {  272}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HD2 ))
      4.600     2.600     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.82440E-03 ppm1      8.291 ppm2      1.742 CV     1
 OR {  272}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HD3 ))
 ASSI {  273}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HG3 ))
      3.700     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.16012E-02 ppm1      8.293 ppm2      1.516 CV     1
 OR {  273}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HG2 ))
 ASSI {  277}
   (( segid "B   " and resid 13   and name H   ))
   (( segid "B   " and resid 14   and name H   ))
      2.600     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.18566E-02 ppm1      8.291 ppm2      9.097 CV     1
 ASSI {  279}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 15   and name H   ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.16299E-02 ppm1      9.096 ppm2      8.724 CV     1
 ASSI {  281}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.98712E-03 ppm1      9.096 ppm2      4.601 CV     1
 ASSI {  283}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.40232E-02 ppm1      9.096 ppm2      4.098 CV     1
 ASSI {  284}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 11   and name HA  ))
      3.200     1.200     1.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10352E-02 ppm1      9.097 ppm2      3.951 CV     1
 ASSI {  285}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 13   and name HB  ))
      3.200     1.300     1.300 peak   285 spectrum    1 weight  0.10000E+01 volume  0.35418E-02 ppm1      9.096 ppm2      2.397 CV     1
 ASSI {  289}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 16   and name H   ))
      2.900     1.000     1.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.13709E-02 ppm1      8.725 ppm2      6.977 CV     1
 ASSI {  291}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.20526E-02 ppm1      8.724 ppm2      4.394 CV     1
 ASSI {  292}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      8.720 ppm2      4.146 CV     1
 ASSI {  293}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10368E-02 ppm1      8.724 ppm2      4.099 CV     1
 ASSI {  294}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.20311E-02 ppm1      8.725 ppm2      3.998 CV     1
 ASSI {  297}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG11))
      4.700     2.800     1.300 peak   297 spectrum    1 weight  0.10000E+01 volume  0.55216E-03 ppm1      8.725 ppm2      1.254 CV     1
 OR {  297}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG13))
 OR {  297}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG12))
 ASSI {  298}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "A   " and resid 5    and name HD22))
      4.300     2.300     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.57263E-03 ppm1      8.724 ppm2      1.054 CV     1
 OR {  298}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "A   " and resid 5    and name HD23))
 OR {  298}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "A   " and resid 5    and name HD21))
 ASSI {  299}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG22))
      4.300     2.300     1.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.88222E-03 ppm1      8.726 ppm2      0.935 CV     1
 OR {  299}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG23))
 OR {  299}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HG21))
 ASSI {  302}
   (( segid "B   " and resid 16   and name H   ))
   (  segid "B   " and resid 75   and name HE% )
      4.100     2.100     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.76147E-03 ppm1      6.979 ppm2      6.649 CV     1
 ASSI {  303}
   (( segid "B   " and resid 16   and name H   ))
   (  segid "B   " and resid 16   and name HD% )
      4.400     2.500     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      6.982 ppm2      5.620 CV     1
 ASSI {  304}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      6.982 ppm2      4.399 CV     1
 ASSI {  305}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 13   and name HA  ))
      3.900     1.900     1.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.87609E-03 ppm1      6.977 ppm2      4.085 CV     1
 ASSI {  306}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 15   and name HB  ))
      3.200     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.75224E-03 ppm1      6.981 ppm2      4.001 CV     1
 ASSI {  309}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 16   and name HB3 ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.17159E-02 ppm1      6.979 ppm2      2.599 CV     1
 ASSI {  311}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 37   and name HD11))
      3.900     1.900     1.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.72718E-03 ppm1      6.983 ppm2      0.921 CV     1
 OR {  311}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 37   and name HD12))
 OR {  311}
   (( segid "B   " and resid 16   and name H   ))
   (( segid "B   " and resid 37   and name HD13))
 ASSI {  314}
   (( segid "B   " and resid 17   and name H   ))
   (  segid "B   " and resid 16   and name HD% )
      4.100     2.100     1.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.77426E-03 ppm1      7.049 ppm2      5.623 CV     1
 ASSI {  316}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 13   and name HA  ))
      4.300     2.400     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10562E-02 ppm1      7.054 ppm2      4.095 CV     1
 ASSI {  319}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 16   and name HB2 ))
      4.600     2.600     1.400 peak   319 spectrum    1 weight  0.10000E+01 volume  0.64989E-03 ppm1      7.057 ppm2      3.127 CV     1
 ASSI {  320}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 17   and name HB3 ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      7.056 ppm2      2.881 CV     1
 ASSI {  321}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 18   and name H   ))
      2.800     1.000     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      7.055 ppm2      7.926 CV     1
 ASSI {  322}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 17   and name HD2 ))
      3.000     1.100     1.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.15531E-02 ppm1      7.055 ppm2      7.324 CV     1
 ASSI {  323}
   (( segid "B   " and resid 17   and name H   ))
   (( segid "B   " and resid 16   and name H   ))
      3.200     1.300     1.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.16314E-02 ppm1      7.054 ppm2      6.985 CV     1
 ASSI {  324}
   (( segid "B   " and resid 18   and name H   ))
   (  segid "B   " and resid 19   and name HD% )
      4.200     2.200     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.69289E-03 ppm1      7.929 ppm2      7.412 CV     1
 ASSI {  326}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 19   and name H   ))
      2.800     1.000     1.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      7.925 ppm2      6.825 CV     1
 ASSI {  328}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 15   and name HB  ))
      3.800     1.800     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.12742E-02 ppm1      7.924 ppm2      3.999 CV     1
 ASSI {  329}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 18   and name HA  ))
      2.800     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.35321E-02 ppm1      7.925 ppm2      3.942 CV     1
 ASSI {  330}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 17   and name HB2 ))
      3.500     1.600     1.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.72102E-03 ppm1      7.926 ppm2      3.330 CV     1
 ASSI {  331}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.400     2.500     1.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.72667E-03 ppm1      7.928 ppm2      2.917 CV     1
 ASSI {  332}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.35018E-02 ppm1      7.926 ppm2      1.900 CV     1
 OR {  332}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  334}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 18   and name HG2 ))
      4.500     2.500     1.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.95693E-03 ppm1      7.926 ppm2      1.365 CV     1
 ASSI {  335}
   (( segid "B   " and resid 18   and name H   ))
   (( segid "B   " and resid 18   and name HG3 ))
      4.900     3.000     1.100 peak   335 spectrum    1 weight  0.10000E+01 volume  0.62432E-03 ppm1      7.921 ppm2      0.709 CV     1
 ASSI {  339}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 17   and name HA  ))
      3.400     1.500     1.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.10705E-02 ppm1      6.849 ppm2      4.809 CV     1
 ASSI {  341}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 20   and name HA  ))
      4.900     2.900     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.55984E-03 ppm1      6.845 ppm2      3.581 CV     1
 ASSI {  344}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 37   and name HD12))
      4.100     2.100     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.61560E-03 ppm1      6.844 ppm2      0.906 CV     1
 OR {  344}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 37   and name HD11))
 OR {  344}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 37   and name HD13))
 ASSI {  345}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 29   and name HD21))
      4.300     2.300     1.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.90679E-03 ppm1      6.827 ppm2      0.274 CV     1
 OR {  345}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 29   and name HD22))
 OR {  345}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 29   and name HD23))
 ASSI {  349}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 18   and name H   ))
      4.300     2.300     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1      8.520 ppm2      7.930 CV     1
 ASSI {  350}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 21   and name H   ))
      2.900     1.000     1.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.14764E-02 ppm1      8.520 ppm2      7.700 CV     1
 ASSI {  351}
   (( segid "B   " and resid 20   and name H   ))
   (  segid "B   " and resid 19   and name HD% )
      4.300     2.300     1.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.86637E-03 ppm1      8.523 ppm2      7.418 CV     1
 ASSI {  352}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 19   and name H   ))
      2.500     0.800     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.26922E-02 ppm1      8.518 ppm2      6.824 CV     1
 ASSI {  354}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.97843E-03 ppm1      8.518 ppm2      4.331 CV     1
 ASSI {  355}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.16033E-02 ppm1      8.518 ppm2      3.572 CV     1
 ASSI {  356}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 20   and name HB2 ))
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.86789E-03 ppm1      8.517 ppm2      3.120 CV     1
 ASSI {  357}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10368E-02 ppm1      8.522 ppm2      2.277 CV     1
 ASSI {  358}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 29   and name HD21))
      3.300     1.400     1.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.16570E-02 ppm1      8.518 ppm2      0.273 CV     1
 OR {  358}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 29   and name HD22))
 OR {  358}
   (( segid "B   " and resid 20   and name H   ))
   (( segid "B   " and resid 29   and name HD23))
 ASSI {  359}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 22   and name H   ))
      2.800     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      7.700 ppm2      7.246 CV     1
 ASSI {  360}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 19   and name H   ))
      3.900     1.900     1.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.57725E-03 ppm1      7.697 ppm2      6.817 CV     1
 ASSI {  361}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.88632E-03 ppm1      7.697 ppm2      4.859 CV     1
 ASSI {  362}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   362 spectrum    1 weight  0.10000E+01 volume  0.16954E-02 ppm1      7.700 ppm2      4.413 CV     1
 ASSI {  363}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 21   and name HA2 ))
      3.100     1.200     1.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.28764E-02 ppm1      7.701 ppm2      4.140 CV     1
 ASSI {  364}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 22   and name HA  ))
      4.400     2.400     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.59310E-03 ppm1      7.698 ppm2      3.995 CV     1
 ASSI {  365}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 21   and name HA3 ))
      2.400     0.700     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.42657E-02 ppm1      7.700 ppm2      3.894 CV     1
 ASSI {  366}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 20   and name HA  ))
      3.400     1.500     1.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.95948E-03 ppm1      7.700 ppm2      3.567 CV     1
 ASSI {  367}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 26   and name HD3 ))
      4.600     2.700     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.69390E-03 ppm1      7.699 ppm2      1.621 CV     1
 OR {  367}
   (( segid "B   " and resid 21   and name H   ))
   (( segid "B   " and resid 26   and name HD2 ))
 ASSI {  371}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1      7.236 ppm2      4.415 CV     1
 ASSI {  373}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 21   and name HA2 ))
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      7.236 ppm2      4.139 CV     1
 ASSI {  374}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.76044E-02 ppm1      7.231 ppm2      3.996 CV     1
 ASSI {  375}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 21   and name HA3 ))
      3.500     1.500     1.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      7.245 ppm2      3.892 CV     1
 ASSI {  376}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HE2 ))
      4.500     2.600     1.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.56443E-03 ppm1      7.249 ppm2      3.033 CV     1
 OR {  376}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HE3 ))
 ASSI {  377}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 33   and name HG3 ))
      3.800     1.800     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.64582E-03 ppm1      7.235 ppm2      2.415 CV     1
 ASSI {  378}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.44080E-02 ppm1      7.248 ppm2      2.196 CV     1
 ASSI {  379}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.46860E-02 ppm1      7.231 ppm2      2.175 CV     1
 ASSI {  380}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HB3 ))
      2.900     1.100     1.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.41326E-02 ppm1      7.244 ppm2      2.033 CV     1
 ASSI {  381}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HD2 ))
      4.300     2.300     1.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.94618E-03 ppm1      7.245 ppm2      1.898 CV     1
 ASSI {  383}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HG3 ))
      3.600     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.23340E-02 ppm1      7.248 ppm2      1.471 CV     1
 ASSI {  385}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 23   and name H   ))
      2.300     0.700     0.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.64582E-02 ppm1      7.236 ppm2      9.612 CV     1
 ASSI {  388}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.67908E-02 ppm1      7.247 ppm2      3.996 CV     1
 ASSI {  392}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 26   and name H   ))
      2.600     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.26441E-02 ppm1      9.573 ppm2      9.352 CV     1
 ASSI {  393}
   (( segid "A   " and resid 27   and name H   ))
   (  segid "A   " and resid 27   and name HD% )
      2.800     1.000     1.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.39680E-02 ppm1      9.574 ppm2      7.497 CV     1
 ASSI {  394}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name H   ))
      2.200     0.600     0.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.69493E-02 ppm1      9.580 ppm2      7.202 CV     1
 ASSI {  395}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name HA  ))
      4.600     2.700     1.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.55829E-03 ppm1      9.569 ppm2      5.166 CV     1
 ASSI {  396}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.26252E-02 ppm1      9.578 ppm2      4.845 CV     1
 ASSI {  401}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 20   and name HB2 ))
      4.200     2.200     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.57314E-03 ppm1      9.571 ppm2      3.075 CV     1
 ASSI {  410}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20357E-02 ppm1      7.195 ppm2      5.165 CV     1
 ASSI {  412}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 25   and name HA  ))
      2.700     2.700     3.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.75992E-03 ppm1      7.203 ppm2      4.485 CV     1
 ASSI {  413}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.11954E-02 ppm1      7.199 ppm2      4.411 CV     1
 ASSI {  414}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 27   and name HB2 ))
      3.800     1.800     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      7.197 ppm2      3.773 CV     1
 ASSI {  415}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 20   and name HA  ))
      4.500     2.600     1.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      7.199 ppm2      3.557 CV     1
 ASSI {  416}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 27   and name HB3 ))
      3.700     1.700     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      7.202 ppm2      3.168 CV     1
 ASSI {  418}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 25   and name HB3 ))
      4.100     2.100     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.74610E-03 ppm1      7.197 ppm2      2.709 CV     1
 ASSI {  419}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 20   and name HB3 ))
      3.900     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.87864E-03 ppm1      7.201 ppm2      2.169 CV     1
 ASSI {  420}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.300     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.15669E-02 ppm1      7.195 ppm2      1.718 CV     1
 OR {  420}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HD2 ))
 ASSI {  421}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HG2 ))
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17440E-02 ppm1      7.196 ppm2      1.514 CV     1
 OR {  421}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HD3 ))
 ASSI {  422}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HG3 ))
      3.500     1.500     1.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.91241E-03 ppm1      7.189 ppm2      1.321 CV     1
 ASSI {  426}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 26   and name H   ))
      4.400     2.400     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.87454E-03 ppm1      7.197 ppm2      9.346 CV     1
 ASSI {  427}
   (( segid "A   " and resid 28   and name H   ))
   (  segid "A   " and resid 27   and name HD% )
      3.300     1.400     1.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      7.199 ppm2      7.492 CV     1
 ASSI {  428}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 33   and name H   ))
      3.800     1.800     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.78194E-03 ppm1      9.626 ppm2      8.687 CV     1
 ASSI {  430}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.92981E-03 ppm1      9.632 ppm2      4.797 CV     1
 ASSI {  432}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.11893E-02 ppm1      9.633 ppm2      2.236 CV     1
 ASSI {  435}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 29   and name HG  ))
      4.500     2.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.71030E-03 ppm1      9.622 ppm2      1.206 CV     1
 ASSI {  436}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
      4.600     2.700     1.400 peak   436 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      9.624 ppm2      0.283 CV     1
 OR {  436}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
 OR {  436}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 ASSI {  438}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 32   and name H   ))
      2.700     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.21984E-02 ppm1      8.391 ppm2      7.662 CV     1
 ASSI {  439}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 30   and name HD22))
      4.900     3.000     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.63762E-03 ppm1      8.391 ppm2      7.450 CV     1
 ASSI {  441}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.33907E-02 ppm1      8.389 ppm2      4.792 CV     1
 ASSI {  444}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      8.390 ppm2      3.473 CV     1
 ASSI {  445}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HE3 ))
      3.800     1.800     1.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.20735E-02 ppm1      8.390 ppm2      3.042 CV     1
 OR {  445}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HE2 ))
 ASSI {  447}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.75430E-02 ppm1      8.390 ppm2      1.899 CV     1
 OR {  447}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {  448}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HG2 ))
      3.700     1.700     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.97688E-03 ppm1      8.385 ppm2      1.569 CV     1
 ASSI {  449}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HG3 ))
      2.500     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.85613E-03 ppm1      8.390 ppm2      1.496 CV     1
 ASSI {  451}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.80496E-03 ppm1      7.662 ppm2      4.791 CV     1
 ASSI {  452}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.56749E-02 ppm1      7.662 ppm2      4.149 CV     1
 ASSI {  453}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 32   and name HB3 ))
      2.300     0.600     0.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.94466E-02 ppm1      7.663 ppm2      4.002 CV     1
 OR {  453}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 32   and name HB2 ))
 ASSI {  455}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 30   and name HB3 ))
      3.900     1.900     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.96155E-03 ppm1      7.662 ppm2      3.032 CV     1
 ASSI {  457}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 33   and name HB2 ))
      4.400     2.500     1.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.63710E-03 ppm1      7.664 ppm2      2.233 CV     1
 ASSI {  458}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.45698E-02 ppm1      7.662 ppm2      1.897 CV     1
 OR {  458}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {  460}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 31   and name HG2 ))
      4.800     2.800     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.79062E-03 ppm1      7.662 ppm2      1.567 CV     1
 ASSI {  461}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 31   and name HG3 ))
      4.100     2.100     1.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.83618E-03 ppm1      7.663 ppm2      1.502 CV     1
 ASSI {  462}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 34   and name H   ))
      3.900     1.900     1.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      7.665 ppm2      8.926 CV     1
 ASSI {  463}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 33   and name H   ))
      2.400     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.39725E-02 ppm1      7.663 ppm2      8.687 CV     1
 ASSI {  465}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 33   and name H   ))
      2.600     0.900     0.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.21672E-02 ppm1      8.922 ppm2      8.690 CV     1
 ASSI {  466}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 35   and name H   ))
      2.700     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.19968E-02 ppm1      8.921 ppm2      7.964 CV     1
 ASSI {  468}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 32   and name HA  ))
      4.000     2.000     2.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.64069E-03 ppm1      8.928 ppm2      4.156 CV     1
 ASSI {  469}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak   469 spectrum    1 weight  0.10000E+01 volume  0.19077E-02 ppm1      8.921 ppm2      4.072 CV     1
 ASSI {  470}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.13325E-02 ppm1      8.921 ppm2      2.216 CV     1
 ASSI {  471}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.16902E-02 ppm1      8.923 ppm2      2.028 CV     1
 ASSI {  473}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HG  ))
      3.200     1.300     1.300 peak   473 spectrum    1 weight  0.10000E+01 volume  0.93033E-03 ppm1      8.924 ppm2      1.534 CV     1
 ASSI {  474}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.500     1.500     1.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.21580E-02 ppm1      8.924 ppm2      1.381 CV     1
 ASSI {  475}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HD21))
      3.600     1.700     1.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.27961E-02 ppm1      8.924 ppm2      0.773 CV     1
 OR {  475}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HD11))
 OR {  475}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HD12))
 OR {  475}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {  475}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 34   and name HD23))
 ASSI {  476}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
      3.700     1.800     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.10286E-02 ppm1      8.921 ppm2      0.276 CV     1
 OR {  476}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
 OR {  476}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 ASSI {  477}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 30   and name H   ))
      4.100     2.100     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.75940E-03 ppm1      8.926 ppm2      9.633 CV     1
 ASSI {  479}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 31   and name HA  ))
      3.200     1.200     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.14615E-02 ppm1      8.925 ppm2      4.047 CV     1
 ASSI {  480}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 36   and name H   ))
      2.900     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.19722E-02 ppm1      7.967 ppm2      7.847 CV     1
 ASSI {  481}
   (( segid "A   " and resid 35   and name H   ))
   (  segid "A   " and resid 55   and name HE% )
      3.500     1.600     1.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      7.966 ppm2      7.214 CV     1
 OR {  481}
   (( segid "A   " and resid 35   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
 ASSI {  482}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   482 spectrum    1 weight  0.10000E+01 volume  0.16242E-02 ppm1      7.968 ppm2      4.152 CV     1
 ASSI {  483}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.89194E-03 ppm1      7.968 ppm2      4.028 CV     1
 ASSI {  484}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.71743E-03 ppm1      7.965 ppm2      3.950 CV     1
 ASSI {  485}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.26119E-02 ppm1      7.966 ppm2      3.440 CV     1
 ASSI {  487}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.96972E-03 ppm1      7.966 ppm2      2.029 CV     1
 ASSI {  489}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.24594E-02 ppm1      7.966 ppm2      1.784 CV     1
 ASSI {  490}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HG  ))
      4.400     2.500     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.66474E-03 ppm1      7.968 ppm2      1.536 CV     1
 ASSI {  491}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.44703E-02 ppm1      7.966 ppm2      1.379 CV     1
 OR {  491}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HD3 ))
 ASSI {  492}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HG2 ))
      4.500     2.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.11499E-02 ppm1      7.966 ppm2      0.900 CV     1
 ASSI {  493}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 35   and name HG3 ))
      4.300     2.300     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11273E-02 ppm1      7.964 ppm2      0.879 CV     1
 ASSI {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD21))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.17593E-02 ppm1      7.966 ppm2      0.779 CV     1
 OR {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD23))
 OR {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD12))
 OR {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD11))
 OR {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {  494}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 34   and name HD13))
 ASSI {  496}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.68931E-03 ppm1      7.849 ppm2      3.966 CV     1
 ASSI {  498}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12287E-02 ppm1      7.847 ppm2      3.435 CV     1
 ASSI {  499}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 36   and name HG2 ))
      4.200     2.300     1.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.18054E-02 ppm1      7.851 ppm2      2.498 CV     1
 ASSI {  502}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
      4.200     2.200     1.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.59055E-03 ppm1      7.849 ppm2      1.887 CV     1
 OR {  502}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI {  503}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name HB2 ))
      3.800     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.17859E-02 ppm1      7.845 ppm2      1.782 CV     1
 ASSI {  504}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name HB3 ))
      2.400     0.700     0.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      7.847 ppm2      1.377 CV     1
 ASSI {  505}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name HG2 ))
      3.800     1.800     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      7.845 ppm2      0.893 CV     1
 OR {  505}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name HG3 ))
 ASSI {  507}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 34   and name H   ))
      3.900     1.900     1.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.62890E-03 ppm1      7.844 ppm2      8.932 CV     1
 ASSI {  510}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.61663E-03 ppm1      8.551 ppm2      3.950 CV     1
 ASSI {  512}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.17358E-02 ppm1      8.556 ppm2      3.801 CV     1
 ASSI {  514}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 37   and name HA  ))
      3.800     1.800     1.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.66319E-03 ppm1      8.559 ppm2      2.594 CV     1
 ASSI {  515}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
      2.000     0.500     0.500 peak   515 spectrum    1 weight  0.10000E+01 volume  0.44332E-02 ppm1      8.557 ppm2      1.898 CV     1
 OR {  515}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI {  516}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 38   and name HB3 ))
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.22972E-02 ppm1      8.558 ppm2      1.671 CV     1
 ASSI {  520}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 34   and name HD21))
      4.100     2.100     1.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.71181E-03 ppm1      8.556 ppm2      0.767 CV     1
 OR {  520}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 34   and name HD23))
 OR {  520}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {  520}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 34   and name HD12))
 ASSI {  523}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.26359E-02 ppm1      7.941 ppm2      3.902 CV     1
 ASSI {  525}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
      2.900     1.100     1.100 peak   525 spectrum    1 weight  0.10000E+01 volume  0.18008E-02 ppm1      7.941 ppm2      1.896 CV     1
 OR {  525}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HG  ))
 ASSI {  532}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 40   and name H   ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.12758E-02 ppm1      7.941 ppm2      8.112 CV     1
 ASSI {  534}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 42   and name H   ))
      3.600     1.600     1.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.60947E-03 ppm1      8.115 ppm2      7.703 CV     1
 ASSI {  535}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.26027E-02 ppm1      8.112 ppm2      4.420 CV     1
 ASSI {  536}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 39   and name HB  ))
      3.400     1.500     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.13893E-02 ppm1      8.110 ppm2      4.241 CV     1
 ASSI {  538}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HD2 ))
      4.600     2.600     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.68776E-03 ppm1      8.112 ppm2      3.407 CV     1
 OR {  538}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HD3 ))
 ASSI {  539}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 37   and name HA  ))
      3.600     1.600     1.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.65809E-03 ppm1      8.108 ppm2      2.603 CV     1
 ASSI {  540}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.20479E-02 ppm1      8.110 ppm2      2.183 CV     1
 ASSI {  541}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HB3 ))
      3.400     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.33135E-02 ppm1      8.111 ppm2      1.999 CV     1
 OR {  541}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  543}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 39   and name HG23))
      4.100     2.100     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.10685E-02 ppm1      8.112 ppm2      1.350 CV     1
 OR {  543}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 39   and name HG21))
 OR {  543}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 39   and name HG22))
 ASSI {  546}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 40   and name H   ))
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.16155E-02 ppm1      8.576 ppm2      8.112 CV     1
 ASSI {  547}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 42   and name H   ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      8.576 ppm2      7.703 CV     1
 ASSI {  551}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 41   and name HG2 ))
      4.500     2.600     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.81161E-03 ppm1      8.575 ppm2      2.629 CV     1
 ASSI {  552}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 41   and name HB2 ))
      2.600     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      8.574 ppm2      2.411 CV     1
 ASSI {  553}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 41   and name HB3 ))
      3.600     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      8.573 ppm2      2.170 CV     1
 ASSI {  554}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 40   and name HB3 ))
      3.600     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.11529E-02 ppm1      8.575 ppm2      1.999 CV     1
 OR {  554}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  556}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 42   and name HD11))
      3.600     1.600     1.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.59155E-03 ppm1      8.575 ppm2      0.869 CV     1
 OR {  556}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 42   and name HD12))
 OR {  556}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 42   and name HD13))
 ASSI {  558}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 41   and name HA  ))
      3.500     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.71233E-03 ppm1      7.699 ppm2      4.934 CV     1
 ASSI {  559}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.11217E-02 ppm1      7.704 ppm2      3.799 CV     1
 ASSI {  560}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 43   and name HD2 ))
      4.300     2.400     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.74814E-03 ppm1      7.703 ppm2      3.747 CV     1
 ASSI {  561}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 43   and name HD3 ))
      2.800     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      7.697 ppm2      3.228 CV     1
 ASSI {  562}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.60078E-03 ppm1      7.702 ppm2      2.426 CV     1
 ASSI {  564}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.12236E-02 ppm1      7.705 ppm2      2.137 CV     1
 ASSI {  565}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 40   and name HB3 ))
      2.800     2.800     3.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.65757E-03 ppm1      7.702 ppm2      2.006 CV     1
 ASSI {  566}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 42   and name HB3 ))
      3.800     1.800     1.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      7.704 ppm2      1.933 CV     1
 ASSI {  567}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 42   and name HG  ))
      3.600     1.600     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.95541E-03 ppm1      7.700 ppm2      1.544 CV     1
 ASSI {  574}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 45   and name H   ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16478E-02 ppm1      9.804 ppm2      7.945 CV     1
 ASSI {  575}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 46   and name H   ))
      3.900     1.900     1.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.67804E-03 ppm1      9.800 ppm2      7.282 CV     1
 ASSI {  576}
   (( segid "A   " and resid 44   and name H   ))
   (  segid "A   " and resid 45   and name HD% )
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.71130E-03 ppm1      9.802 ppm2      7.186 CV     1
 ASSI {  577}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.68983E-03 ppm1      9.807 ppm2      4.344 CV     1
 ASSI {  578}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      9.803 ppm2      4.234 CV     1
 ASSI {  579}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.500     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.89246E-03 ppm1      9.803 ppm2      3.603 CV     1
 ASSI {  580}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 44   and name HB3 ))
      3.500     1.500     1.500 peak   580 spectrum    1 weight  0.10000E+01 volume  0.89552E-03 ppm1      9.808 ppm2      3.475 CV     1
 ASSI {  581}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HD3 ))
      4.800     2.900     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.63300E-03 ppm1      9.807 ppm2      3.237 CV     1
 ASSI {  582}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.65861E-03 ppm1      9.807 ppm2      2.412 CV     1
 ASSI {  583}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HG2 ))
      3.600     1.600     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.99225E-03 ppm1      9.805 ppm2      2.103 CV     1
 ASSI {  584}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HG3 ))
      4.400     2.400     1.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      9.800 ppm2      2.060 CV     1
 ASSI {  585}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name H   ))
      2.400     0.700     0.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.37055E-02 ppm1      7.947 ppm2      7.283 CV     1
 ASSI {  586}
   (( segid "A   " and resid 45   and name H   ))
   (  segid "A   " and resid 45   and name HD% )
      2.600     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.28268E-02 ppm1      7.947 ppm2      7.191 CV     1
 ASSI {  587}
   (( segid "A   " and resid 45   and name H   ))
   (  segid "A   " and resid 45   and name HE% )
      4.300     2.300     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.73535E-03 ppm1      7.944 ppm2      6.997 CV     1
 ASSI {  588}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.29358E-02 ppm1      7.947 ppm2      4.472 CV     1
 ASSI {  590}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      7.945 ppm2      3.383 CV     1
 ASSI {  591}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 45   and name HB3 ))
      3.900     1.900     1.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.14861E-02 ppm1      7.946 ppm2      2.865 CV     1
 ASSI {  592}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 42   and name HB2 ))
      4.200     2.300     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.58131E-03 ppm1      7.948 ppm2      2.123 CV     1
 ASSI {  594}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HB2 ))
      4.500     2.500     1.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.83976E-03 ppm1      7.951 ppm2      1.823 CV     1
 OR {  594}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI {  595}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD12))
      5.000     3.100     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.62890E-03 ppm1      7.949 ppm2      1.065 CV     1
 OR {  595}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD13))
 OR {  595}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD11))
 ASSI {  599}
   (( segid "A   " and resid 46   and name H   ))
   (  segid "A   " and resid 45   and name HD% )
      4.100     2.100     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      7.287 ppm2      7.195 CV     1
 ASSI {  600}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.52504E-02 ppm1      7.283 ppm2      4.473 CV     1
 ASSI {  601}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.12415E-02 ppm1      7.283 ppm2      4.342 CV     1
 ASSI {  603}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.79524E-03 ppm1      7.284 ppm2      3.380 CV     1
 ASSI {  604}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 45   and name HB3 ))
      3.900     1.900     1.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.92113E-03 ppm1      7.280 ppm2      2.866 CV     1
 ASSI {  605}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 46   and name HG  ))
      2.300     0.700     0.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.36477E-02 ppm1      7.284 ppm2      1.943 CV     1
 ASSI {  606}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 46   and name HB2 ))
      2.300     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.58696E-02 ppm1      7.282 ppm2      1.820 CV     1
 OR {  606}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI {  611}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 46   and name H   ))
      3.000     1.100     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.12916E-02 ppm1      8.584 ppm2      7.287 CV     1
 ASSI {  613}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "C   " and resid 1897  and name HE22))
      3.700     1.700     1.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.14329E-02 ppm1      8.586 ppm2      6.476 CV     1
 ASSI {  615}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 47   and name HA2 ))
      2.500     0.800     0.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.36751E-02 ppm1      8.587 ppm2      4.240 CV     1
 ASSI {  616}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 47   and name HA3 ))
      3.000     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.37465E-02 ppm1      8.586 ppm2      4.005 CV     1
 ASSI {  618}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 46   and name HB2 ))
      2.800     1.000     1.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.25556E-02 ppm1      8.586 ppm2      1.820 CV     1
 OR {  618}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 46   and name HB3 ))
 ASSI {  624}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.48445E-02 ppm1      8.568 ppm2      4.246 CV     1
 ASSI {  626}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.19553E-02 ppm1      8.566 ppm2      1.958 CV     1
 ASSI {  627}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HB3 ))
      3.400     1.400     1.400 peak   627 spectrum    1 weight  0.10000E+01 volume  0.24737E-02 ppm1      8.565 ppm2      1.853 CV     1
 ASSI {  628}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HG2 ))
      4.100     2.100     1.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      8.568 ppm2      1.550 CV     1
 OR {  628}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HG3 ))
 ASSI {  630}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "C   " and resid 1897  and name HE22))
      4.000     2.000     2.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.68624E-03 ppm1      8.262 ppm2      6.474 CV     1
 ASSI {  635}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 47   and name HA3 ))
      3.200     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      8.259 ppm2      3.998 CV     1
 ASSI {  637}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.52042E-02 ppm1      8.259 ppm2      1.970 CV     1
 ASSI {  638}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 49   and name HB3 ))
      2.400     0.700     0.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.65041E-02 ppm1      8.262 ppm2      1.829 CV     1
 ASSI {  639}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 49   and name HG3 ))
      3.500     1.500     1.500 peak   639 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      8.260 ppm2      1.653 CV     1
 ASSI {  641}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 54   and name HB2 ))
      4.300     2.300     1.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.73997E-03 ppm1      8.256 ppm2      1.302 CV     1
 OR {  641}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 54   and name HB3 ))
 OR {  641}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI {  642}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 50   and name HG22))
      4.000     2.000     2.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.65502E-03 ppm1      8.256 ppm2      1.165 CV     1
 OR {  642}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 50   and name HG23))
 OR {  642}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 50   and name HG21))
 ASSI {  644}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 48   and name H   ))
      2.600     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.32454E-02 ppm1      8.259 ppm2      8.573 CV     1
 ASSI {  645}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.92878E-03 ppm1      8.303 ppm2      4.737 CV     1
 ASSI {  646}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.95131E-02 ppm1      8.304 ppm2      4.538 CV     1
 ASSI {  647}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.27951E-02 ppm1      8.304 ppm2      4.429 CV     1
 ASSI {  648}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 49   and name HB2 ))
      4.100     2.100     1.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.96206E-03 ppm1      8.305 ppm2      1.972 CV     1
 ASSI {  650}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 49   and name HG3 ))
      4.000     2.000     2.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.82081E-03 ppm1      8.302 ppm2      1.649 CV     1
 ASSI {  652}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 54   and name HB3 ))
      4.700     2.700     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1      8.304 ppm2      1.298 CV     1
 OR {  652}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 54   and name HB2 ))
 OR {  652}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI {  658}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 54   and name H   ))
      3.300     1.400     1.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.80496E-03 ppm1      8.250 ppm2      7.873 CV     1
 ASSI {  659}
   (( segid "A   " and resid 51   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      3.700     1.700     1.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.12302E-02 ppm1      8.250 ppm2      7.215 CV     1
 OR {  659}
   (( segid "A   " and resid 51   and name H   ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI {  661}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 51   and name HA  ))
      2.600     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.45469E-02 ppm1      8.252 ppm2      4.754 CV     1
 ASSI {  662}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 49   and name HA  ))
      3.300     3.300     2.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.20229E-02 ppm1      8.252 ppm2      4.534 CV     1
 ASSI {  664}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 54   and name HA  ))
      4.900     3.000     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.66319E-03 ppm1      8.251 ppm2      4.085 CV     1
 ASSI {  665}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.23437E-02 ppm1      8.251 ppm2      2.952 CV     1
 ASSI {  666}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 51   and name HB3 ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      8.252 ppm2      2.847 CV     1
 ASSI {  667}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 46   and name HB3 ))
      4.100     2.100     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.72053E-03 ppm1      8.252 ppm2      1.803 CV     1
 ASSI {  672}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "A   " and resid 52   and name H   ))
      4.300     2.300     1.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      8.247 ppm2      8.795 CV     1
 ASSI {  673}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 53   and name H   ))
      2.600     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.29102E-02 ppm1      8.796 ppm2      8.337 CV     1
 ASSI {  675}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 54   and name H   ))
      4.800     2.900     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.60027E-03 ppm1      8.798 ppm2      7.874 CV     1
 ASSI {  676}
   (( segid "A   " and resid 52   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      4.200     2.200     1.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.71743E-03 ppm1      8.794 ppm2      7.213 CV     1
 OR {  676}
   (( segid "A   " and resid 52   and name H   ))
   (  segid "A   " and resid 55   and name HE% )
 ASSI {  677}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.79624E-02 ppm1      8.795 ppm2      4.754 CV     1
 ASSI {  678}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 53   and name HA  ))
      4.600     2.700     1.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.60488E-03 ppm1      8.792 ppm2      4.239 CV     1
 ASSI {  679}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak   679 spectrum    1 weight  0.10000E+01 volume  0.42847E-02 ppm1      8.796 ppm2      4.167 CV     1
 ASSI {  680}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   680 spectrum    1 weight  0.10000E+01 volume  0.30817E-02 ppm1      8.795 ppm2      2.953 CV     1
 ASSI {  681}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 51   and name HB3 ))
      2.400     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.25484E-02 ppm1      8.795 ppm2      2.848 CV     1
 ASSI {  683}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 52   and name HB3 ))
      3.200     1.300     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.51632E-02 ppm1      8.797 ppm2      2.130 CV     1
 ASSI {  686}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 51   and name H   ))
      3.800     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.55371E-03 ppm1      8.336 ppm2      8.257 CV     1
 ASSI {  687}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 54   and name H   ))
      2.300     0.700     0.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.71078E-02 ppm1      8.338 ppm2      7.874 CV     1
 ASSI {  688}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 55   and name H   ))
      3.400     1.400     1.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.92419E-03 ppm1      8.337 ppm2      7.780 CV     1
 ASSI {  689}
   (( segid "A   " and resid 53   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      4.200     2.200     1.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.61202E-03 ppm1      8.341 ppm2      7.216 CV     1
 ASSI {  691}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.16227E-02 ppm1      8.338 ppm2      4.753 CV     1
 ASSI {  692}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.83718E-02 ppm1      8.337 ppm2      4.236 CV     1
 ASSI {  693}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.24394E-02 ppm1      8.337 ppm2      4.167 CV     1
 ASSI {  694}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 54   and name HA  ))
      4.700     2.800     1.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.61715E-03 ppm1      8.333 ppm2      4.087 CV     1
 ASSI {  695}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 51   and name HB2 ))
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.15976E-02 ppm1      8.340 ppm2      2.951 CV     1
 ASSI {  696}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 52   and name HG2 ))
      3.700     1.700     1.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      8.338 ppm2      2.414 CV     1
 ASSI {  697}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "A   " and resid 52   and name HB3 ))
      3.200     1.300     1.300 peak   697 spectrum    1 weight  0.10000E+01 volume  0.41026E-02 ppm1      8.338 ppm2      2.143 CV     1
 ASSI {  702}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 55   and name H   ))
      2.400     0.700     0.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.43431E-02 ppm1      7.873 ppm2      7.778 CV     1
 ASSI {  703}
   (( segid "A   " and resid 54   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      3.800     1.800     1.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      7.872 ppm2      7.216 CV     1
 ASSI {  704}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 51   and name HA  ))
      4.500     2.500     1.500 peak   704 spectrum    1 weight  0.10000E+01 volume  0.64172E-03 ppm1      7.872 ppm2      4.760 CV     1
 ASSI {  706}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.63507E-02 ppm1      7.872 ppm2      4.089 CV     1
 ASSI {  707}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 55   and name HB3 ))
      5.600     4.000     0.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.64324E-03 ppm1      7.875 ppm2      3.033 CV     1
 ASSI {  713}
   (( segid "A   " and resid 55   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.36435E-02 ppm1      7.777 ppm2      7.216 CV     1
 ASSI {  715}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.36655E-02 ppm1      7.776 ppm2      4.247 CV     1
 ASSI {  716}
   (( segid "A   " and resid 66   and name H   ))
   (( segid "A   " and resid 66   and name HA  ))
      2.000     0.500     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.96103E-02 ppm1      7.782 ppm2      4.159 CV     1
 ASSI {  717}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      7.779 ppm2      4.088 CV     1
 ASSI {  718}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 56   and name HA  ))
      4.700     2.800     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.77836E-03 ppm1      7.776 ppm2      3.979 CV     1
 ASSI {  721}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      7.776 ppm2      3.177 CV     1
 ASSI {  722}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 55   and name HB3 ))
      3.500     1.500     1.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.34717E-02 ppm1      7.775 ppm2      3.038 CV     1
 ASSI {  723}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 56   and name HB2 ))
      4.500     2.500     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.90321E-03 ppm1      7.775 ppm2      2.226 CV     1
 OR {  723}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  732}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 51   and name H   ))
      3.800     1.800     1.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.75020E-03 ppm1      7.782 ppm2      8.252 CV     1
 ASSI {  733}
   (( segid "A   " and resid 55   and name H   ))
   (( segid "A   " and resid 57   and name H   ))
      4.100     2.100     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.60588E-03 ppm1      7.777 ppm2      8.127 CV     1
 ASSI {  736}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 55   and name H   ))
      2.500     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.26160E-02 ppm1      7.900 ppm2      7.778 CV     1
 ASSI {  737}
   (( segid "A   " and resid 56   and name H   ))
   (  segid "A   " and resid 55   and name HD% )
      4.900     3.000     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.64582E-03 ppm1      7.896 ppm2      7.216 CV     1
 ASSI {  739}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.54754E-03 ppm1      7.896 ppm2      4.164 CV     1
 ASSI {  740}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.69289E-03 ppm1      7.904 ppm2      4.092 CV     1
 ASSI {  741}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.34643E-02 ppm1      7.900 ppm2      3.983 CV     1
 ASSI {  742}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      7.902 ppm2      3.182 CV     1
 ASSI {  743}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 55   and name HB3 ))
      3.600     1.600     1.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      7.902 ppm2      3.040 CV     1
 ASSI {  745}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.45052E-02 ppm1      7.900 ppm2      2.230 CV     1
 OR {  745}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  747}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 59   and name HB3 ))
      4.300     2.300     1.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.59616E-03 ppm1      7.892 ppm2      1.845 CV     1
 ASSI {  749}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 54   and name HB3 ))
      2.900     2.900     3.100 peak   749 spectrum    1 weight  0.10000E+01 volume  0.55061E-03 ppm1      7.904 ppm2      1.305 CV     1
 OR {  749}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 54   and name HB2 ))
 OR {  749}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI {  750}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 58   and name H   ))
      4.300     2.300     1.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.68059E-03 ppm1      7.900 ppm2      8.360 CV     1
 ASSI {  751}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 57   and name H   ))
      2.800     0.900     0.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.23340E-02 ppm1      7.900 ppm2      8.119 CV     1
 ASSI {  752}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 59   and name H   ))
      3.600     1.600     1.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.89194E-03 ppm1      8.117 ppm2      7.963 CV     1
 ASSI {  754}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.10542E-02 ppm1      8.116 ppm2      4.245 CV     1
 ASSI {  758}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 56   and name HB3 ))
      2.700     0.900     0.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.22818E-02 ppm1      8.116 ppm2      2.218 CV     1
 ASSI {  759}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.600     0.800     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.32683E-02 ppm1      8.118 ppm2      1.915 CV     1
 ASSI {  760}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.600     0.900     0.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.33568E-02 ppm1      8.117 ppm2      1.871 CV     1
 ASSI {  761}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 57   and name HD3 ))
      4.800     2.900     1.200 peak   761 spectrum    1 weight  0.10000E+01 volume  0.76760E-03 ppm1      8.117 ppm2      1.767 CV     1
 ASSI {  763}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 58   and name H   ))
      2.700     0.900     0.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.23831E-02 ppm1      8.117 ppm2      8.360 CV     1
 ASSI {  766}
   (( segid "A   " and resid 58   and name H   ))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.800     1.800     1.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.66936E-03 ppm1      8.355 ppm2      2.068 CV     1
 ASSI {  768}
   (( segid "A   " and resid 58   and name H   ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak   768 spectrum    1 weight  0.10000E+01 volume  0.18939E-02 ppm1      8.359 ppm2      1.745 CV     1
 ASSI {  773}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      7.956 ppm2      4.247 CV     1
 ASSI {  774}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 60   and name HB2 ))
      4.400     2.400     1.600 peak   774 spectrum    1 weight  0.10000E+01 volume  0.87915E-03 ppm1      7.951 ppm2      4.062 CV     1
 OR {  774}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI {  775}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 56   and name HA  ))
      3.300     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.17547E-02 ppm1      7.955 ppm2      3.982 CV     1
 ASSI {  777}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 59   and name HG2 ))
      4.300     2.300     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.15751E-02 ppm1      7.954 ppm2      2.527 CV     1
 ASSI {  779}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 59   and name HB2 ))
      2.300     0.600     0.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.32147E-02 ppm1      7.955 ppm2      2.177 CV     1
 ASSI {  780}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 59   and name HB3 ))
      2.900     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.37626E-02 ppm1      7.954 ppm2      1.853 CV     1
 ASSI {  781}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HB2 ))
      3.600     1.600     1.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.19016E-02 ppm1      7.955 ppm2      1.742 CV     1
 ASSI {  782}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HB3 ))
      2.400     0.700     0.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.14789E-02 ppm1      7.954 ppm2      1.572 CV     1
 ASSI {  783}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HG  ))
      3.200     1.300     1.300 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      7.957 ppm2      1.406 CV     1
 ASSI {  784}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HD11))
      4.400     2.400     1.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.94925E-03 ppm1      7.954 ppm2      0.867 CV     1
 OR {  784}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HD13))
 OR {  784}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HD12))
 ASSI {  786}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name H   ))
      2.900     1.000     1.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      7.954 ppm2      8.355 CV     1
 ASSI {  787}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 60   and name H   ))
      2.700     0.900     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.26671E-02 ppm1      7.955 ppm2      8.074 CV     1
 ASSI {  789}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 62   and name H   ))
      3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.73997E-03 ppm1      8.077 ppm2      7.718 CV     1
 ASSI {  790}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 61   and name HA  ))
      4.600     2.600     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.80189E-03 ppm1      8.072 ppm2      4.450 CV     1
 ASSI {  791}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.58951E-02 ppm1      8.072 ppm2      4.243 CV     1
 ASSI {  792}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.24307E-02 ppm1      8.072 ppm2      4.136 CV     1
 ASSI {  794}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 56   and name HA  ))
      3.400     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      8.075 ppm2      3.984 CV     1
 ASSI {  798}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 59   and name HB2 ))
      3.300     1.300     1.300 peak   798 spectrum    1 weight  0.10000E+01 volume  0.29286E-02 ppm1      8.071 ppm2      2.178 CV     1
 ASSI {  799}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 59   and name HB3 ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.23637E-02 ppm1      8.073 ppm2      1.854 CV     1
 ASSI {  802}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 61   and name H   ))
      2.400     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.40151E-02 ppm1      8.072 ppm2      8.334 CV     1
 ASSI {  806}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 59   and name H   ))
      3.400     1.500     1.500 peak   806 spectrum    1 weight  0.10000E+01 volume  0.91344E-03 ppm1      8.335 ppm2      7.949 CV     1
 ASSI {  808}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 62   and name H   ))
      2.400     0.700     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.31507E-02 ppm1      8.332 ppm2      7.711 CV     1
 ASSI {  809}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 60   and name HA  ))
      3.000     1.200     1.200 peak   809 spectrum    1 weight  0.10000E+01 volume  0.21713E-02 ppm1      8.333 ppm2      4.244 CV     1
 ASSI {  810}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      8.340 ppm2      4.134 CV     1
 ASSI {  813}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.24676E-02 ppm1      8.333 ppm2      3.150 CV     1
 ASSI {  814}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 61   and name HB3 ))
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.23156E-02 ppm1      8.333 ppm2      2.893 CV     1
 ASSI {  819}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 62   and name HD22))
      5.000     3.100     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.55113E-03 ppm1      8.328 ppm2      0.282 CV     1
 OR {  819}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 62   and name HD21))
 OR {  819}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 62   and name HD23))
 ASSI {  820}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.52401E-02 ppm1      8.333 ppm2      4.451 CV     1
 ASSI {  821}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 63   and name HA  ))
      4.400     2.400     1.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.90782E-03 ppm1      7.721 ppm2      4.789 CV     1
 ASSI {  822}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.13418E-02 ppm1      7.711 ppm2      4.452 CV     1
 ASSI {  824}
   (( segid "B   " and resid 32   and name H   ))
   (( segid "B   " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.60130E-02 ppm1      7.720 ppm2      4.141 CV     1
 ASSI {  825}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 60   and name HB3 ))
      3.200     1.200     1.200 peak   825 spectrum    1 weight  0.10000E+01 volume  0.21575E-02 ppm1      7.720 ppm2      4.075 CV     1
 ASSI {  828}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 61   and name HB2 ))
      3.600     1.600     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.73177E-03 ppm1      7.711 ppm2      3.153 CV     1
 ASSI {  829}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 57   and name HE2 ))
      4.100     2.100     1.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.59720E-03 ppm1      7.722 ppm2      3.057 CV     1
 ASSI {  830}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 61   and name HB3 ))
      3.700     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.91499E-03 ppm1      7.713 ppm2      2.906 CV     1
 ASSI {  831}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 59   and name HG3 ))
      4.100     2.100     1.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.61970E-03 ppm1      7.719 ppm2      2.422 CV     1
 ASSI {  832}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 62   and name HG  ))
      3.500     1.600     1.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      7.711 ppm2      2.051 CV     1
 ASSI {  834}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 62   and name HB2 ))
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      7.715 ppm2      1.783 CV     1
 ASSI {  836}
   (( segid "A   " and resid 62   and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      4.800     2.900     1.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.67446E-03 ppm1      7.717 ppm2      1.493 CV     1
 ASSI {  846}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name H   ))
      2.700     0.900     0.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      7.869 ppm2      7.711 CV     1
 ASSI {  847}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.31584E-02 ppm1      7.869 ppm2      4.777 CV     1
 ASSI {  849}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HA  ))
      3.500     1.600     1.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      7.870 ppm2      4.334 CV     1
 ASSI {  850}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.19323E-02 ppm1      7.871 ppm2      4.242 CV     1
 ASSI {  851}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.73638E-03 ppm1      7.868 ppm2      3.872 CV     1
 ASSI {  852}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 63   and name HB2 ))
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.37119E-02 ppm1      7.870 ppm2      2.930 CV     1
 ASSI {  853}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 63   and name HB3 ))
      3.100     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      7.868 ppm2      2.442 CV     1
 ASSI {  854}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HG  ))
      4.500     2.600     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.75530E-03 ppm1      7.865 ppm2      2.047 CV     1
 ASSI {  855}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak   855 spectrum    1 weight  0.10000E+01 volume  0.68983E-03 ppm1      7.871 ppm2      1.786 CV     1
 ASSI {  856}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HB3 ))
      3.600     1.600     1.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.57876E-03 ppm1      7.870 ppm2      1.273 CV     1
 ASSI {  859}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HD22))
      4.800     2.800     1.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.70055E-03 ppm1      7.869 ppm2      0.280 CV     1
 OR {  859}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HD21))
 OR {  859}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 62   and name HD23))
 ASSI {  860}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 61   and name H   ))
      4.400     2.400     1.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.67701E-03 ppm1      7.873 ppm2      8.336 CV     1
 ASSI {  862}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 65   and name H   ))
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.32203E-02 ppm1      8.253 ppm2      8.016 CV     1
 ASSI {  863}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 63   and name H   ))
      3.600     1.600     1.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.13883E-02 ppm1      8.252 ppm2      7.862 CV     1
 ASSI {  864}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 66   and name H   ))
      4.100     2.100     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.92778E-03 ppm1      8.256 ppm2      7.788 CV     1
 ASSI {  865}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 63   and name HA  ))
      2.100     0.500     0.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.86534E-02 ppm1      8.252 ppm2      4.775 CV     1
 ASSI {  866}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.61050E-02 ppm1      8.253 ppm2      4.346 CV     1
 ASSI {  870}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 74   and name HG2 ))
      4.000     2.000     2.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      8.252 ppm2      2.603 CV     1
 ASSI {  871}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 63   and name HB3 ))
      3.900     1.900     1.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      8.252 ppm2      2.440 CV     1
 ASSI {  874}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 66   and name H   ))
      2.200     0.600     0.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.57980E-02 ppm1      8.014 ppm2      7.783 CV     1
 ASSI {  875}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.41123E-02 ppm1      8.014 ppm2      4.851 CV     1
 ASSI {  876}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   876 spectrum    1 weight  0.10000E+01 volume  0.16647E-02 ppm1      8.015 ppm2      4.777 CV     1
 ASSI {  877}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   877 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      8.014 ppm2      4.348 CV     1
 ASSI {  878}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      8.012 ppm2      4.159 CV     1
 ASSI {  881}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 65   and name HB2 ))
      3.300     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.17368E-02 ppm1      8.013 ppm2      3.304 CV     1
 ASSI {  883}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 65   and name HB3 ))
      2.900     1.100     1.100 peak   883 spectrum    1 weight  0.10000E+01 volume  0.20659E-02 ppm1      8.014 ppm2      2.819 CV     1
 ASSI {  884}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 66   and name HB2 ))
      5.000     3.100     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.68266E-03 ppm1      8.011 ppm2      2.045 CV     1
 OR {  884}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 66   and name HB3 ))
 ASSI {  885}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 67   and name H   ))
      4.000     2.000     2.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      8.012 ppm2      8.599 CV     1
 ASSI {  887}
   (( segid "A   " and resid 66   and name H   ))
   (( segid "A   " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   887 spectrum    1 weight  0.10000E+01 volume  0.16902E-02 ppm1      7.782 ppm2      4.852 CV     1
 ASSI {  888}
   (( segid "A   " and resid 66   and name H   ))
   (( segid "A   " and resid 64   and name HA  ))
      3.700     1.700     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.74507E-03 ppm1      7.784 ppm2      4.345 CV     1
 ASSI {  892}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 66   and name H   ))
      2.800     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.32081E-02 ppm1      8.600 ppm2      7.784 CV     1
 ASSI {  893}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   893 spectrum    1 weight  0.10000E+01 volume  0.37985E-02 ppm1      8.599 ppm2      4.811 CV     1
 ASSI {  895}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak   895 spectrum    1 weight  0.10000E+01 volume  0.19226E-02 ppm1      8.598 ppm2      3.185 CV     1
 ASSI {  896}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 67   and name HB3 ))
      3.200     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      8.600 ppm2      2.422 CV     1
 ASSI {  897}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 66   and name HB3 ))
      3.900     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      8.599 ppm2      2.047 CV     1
 OR {  897}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 66   and name HB2 ))
 ASSI {  900}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.39551E-02 ppm1      7.853 ppm2      4.820 CV     1
 ASSI {  901}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.61612E-02 ppm1      7.853 ppm2      4.132 CV     1
 ASSI {  905}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 69   and name HG2 ))
      3.500     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.32803E-02 ppm1      7.853 ppm2      2.142 CV     1
 ASSI {  906}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 59   and name HE2 ))
      3.400     1.400     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      7.854 ppm2      1.898 CV     1
 OR {  906}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR {  906}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 59   and name HE1 ))
 ASSI {  907}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.23632E-02 ppm1      7.853 ppm2      1.478 CV     1
 ASSI {  908}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 67   and name H   ))
      3.000     1.100     1.100 peak   908 spectrum    1 weight  0.10000E+01 volume  0.27071E-02 ppm1      7.853 ppm2      8.599 CV     1
 ASSI {  909}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 29   and name H   ))
      3.200     1.300     1.300 peak   909 spectrum    1 weight  0.10000E+01 volume  0.82953E-03 ppm1      9.997 ppm2      9.651 CV     1
 ASSI {  910}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 69   and name H   ))
      4.100     2.100     1.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.64582E-03 ppm1      9.997 ppm2      7.859 CV     1
 ASSI {  911}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.86534E-03 ppm1      9.995 ppm2      5.276 CV     1
 ASSI {  913}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 70   and name HB  ))
      2.800     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1     10.000 ppm2      2.231 CV     1
 ASSI {  916}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 69   and name HB2 ))
      4.400     2.400     1.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.83001E-03 ppm1      9.992 ppm2      1.483 CV     1
 ASSI {  920}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 62   and name HD22))
      4.900     2.900     1.100 peak   920 spectrum    1 weight  0.10000E+01 volume  0.60130E-03 ppm1      9.997 ppm2      0.280 CV     1
 OR {  920}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 62   and name HD23))
 OR {  920}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 62   and name HD21))
 ASSI {  922}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      9.115 ppm2      5.286 CV     1
 ASSI {  923}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   923 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1      9.121 ppm2      5.157 CV     1
 ASSI {  924}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 74   and name HG3 ))
      3.300     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.60640E-03 ppm1      9.120 ppm2      2.935 CV     1
 ASSI {  925}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 74   and name HG2 ))
      2.600     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      9.116 ppm2      2.595 CV     1
 ASSI {  926}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.87354E-03 ppm1      9.114 ppm2      2.133 CV     1
 OR {  926}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI {  930}
   (( segid "A   " and resid 72   and name H   ))
   (  segid "A   " and resid 27   and name HD% )
      3.500     1.600     1.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.68366E-03 ppm1      8.960 ppm2      7.474 CV     1
 ASSI {  931}
   (( segid "A   " and resid 72   and name H   ))
   (  segid "A   " and resid 72   and name HD% )
      4.700     2.700     1.300 peak   931 spectrum    1 weight  0.10000E+01 volume  0.81671E-03 ppm1      8.950 ppm2      6.919 CV     1
 ASSI {  933}
   (( segid "A   " and resid 72   and name H   ))
   (( segid "A   " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1      8.954 ppm2      5.158 CV     1
 ASSI {  934}
   (( segid "A   " and resid 72   and name H   ))
   (( segid "A   " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.12839E-02 ppm1      8.953 ppm2      3.569 CV     1
 ASSI {  936}
   (( segid "A   " and resid 72   and name H   ))
   (( segid "A   " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   936 spectrum    1 weight  0.10000E+01 volume  0.21339E-02 ppm1      8.954 ppm2      2.761 CV     1
 ASSI {  937}
   (( segid "A   " and resid 72   and name H   ))
   (( segid "A   " and resid 72   and name HB3 ))
      3.200     1.300     1.300 peak   937 spectrum    1 weight  0.10000E+01 volume  0.14641E-02 ppm1      8.954 ppm2      2.516 CV     1
 ASSI {  940}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 71   and name HA  ))
      4.300     2.300     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.69696E-03 ppm1      8.275 ppm2      5.170 CV     1
 ASSI {  941}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.57314E-02 ppm1      8.271 ppm2      3.946 CV     1
 ASSI {  942}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 71   and name HB2 ))
      3.500     1.600     1.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      8.270 ppm2      3.576 CV     1
 ASSI {  945}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 74   and name HG3 ))
      5.000     3.100     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.10629E-02 ppm1      8.272 ppm2      2.918 CV     1
 ASSI {  947}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 74   and name HG2 ))
      3.600     1.600     1.600 peak   947 spectrum    1 weight  0.10000E+01 volume  0.14994E-02 ppm1      8.270 ppm2      2.600 CV     1
 ASSI {  950}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.17000E-02 ppm1      8.271 ppm2      2.136 CV     1
 OR {  950}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI {  952}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 70   and name HG12))
      4.300     2.300     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.78039E-03 ppm1      8.274 ppm2      1.180 CV     1
 OR {  952}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 70   and name HG13))
 OR {  952}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 70   and name HG11))
 ASSI {  954}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 72   and name H   ))
      2.700     0.900     0.900 peak   954 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      8.270 ppm2      8.959 CV     1
 ASSI {  955}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 75   and name H   ))
      2.800     1.000     1.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.33051E-02 ppm1      8.272 ppm2      8.903 CV     1
 ASSI {  956}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 74   and name H   ))
      2.600     0.800     0.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      8.270 ppm2      8.805 CV     1
 ASSI {  958}
   (( segid "B   " and resid 73   and name H   ))
   (( segid "B   " and resid 72   and name HB3 ))
      2.300     0.600     0.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.34265E-02 ppm1      8.273 ppm2      2.458 CV     1
 ASSI {  959}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 72   and name HB3 ))
      2.700     0.900     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.21140E-02 ppm1      8.273 ppm2      2.512 CV     1
 ASSI {  961}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      8.806 ppm2      4.319 CV     1
 ASSI {  962}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.68983E-03 ppm1      8.803 ppm2      3.944 CV     1
 ASSI {  964}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      8.805 ppm2      2.606 CV     1
 ASSI {  965}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.11330E-02 ppm1      8.805 ppm2      2.387 CV     1
 ASSI {  966}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 70   and name HB  ))
      4.600     2.700     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      8.805 ppm2      2.242 CV     1
 ASSI {  967}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 74   and name HB3 ))
      3.700     1.700     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      8.804 ppm2      2.134 CV     1
 ASSI {  969}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 71   and name H   ))
      4.500     2.500     1.500 peak   969 spectrum    1 weight  0.10000E+01 volume  0.66064E-03 ppm1      8.803 ppm2      9.122 CV     1
 ASSI {  970}
   (( segid "A   " and resid 74   and name H   ))
   (( segid "A   " and resid 75   and name H   ))
      2.800     1.000     1.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.97485E-03 ppm1      8.809 ppm2      8.916 CV     1
 ASSI {  973}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 78   and name H   ))
      4.000     2.000     2.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.60640E-03 ppm1      8.903 ppm2      8.250 CV     1
 ASSI {  974}
   (( segid "A   " and resid 75   and name H   ))
   (  segid "A   " and resid 75   and name HD% )
      4.100     2.100     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.13080E-02 ppm1      8.908 ppm2      6.919 CV     1
 ASSI {  975}
   (( segid "A   " and resid 75   and name H   ))
   (  segid "A   " and resid 16   and name HE% )
      4.200     2.200     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.95796E-03 ppm1      8.909 ppm2      6.279 CV     1
 ASSI {  977}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      8.908 ppm2      3.261 CV     1
 ASSI {  978}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 75   and name HB3 ))
      3.400     1.400     1.400 peak   978 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      8.911 ppm2      3.025 CV     1
 ASSI {  983}
   (( segid "A   " and resid 76   and name H   ))
   (  segid "A   " and resid 75   and name HD% )
      4.000     2.000     2.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.96410E-03 ppm1      8.466 ppm2      6.921 CV     1
 ASSI {  984}
   (( segid "A   " and resid 76   and name H   ))
   (  segid "A   " and resid 16   and name HE% )
      2.500     2.500     3.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.11611E-02 ppm1      8.462 ppm2      6.279 CV     1
 ASSI {  986}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 73   and name HA  ))
      3.300     1.400     1.400 peak   986 spectrum    1 weight  0.10000E+01 volume  0.96616E-03 ppm1      8.464 ppm2      3.940 CV     1
 ASSI {  989}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15306E-02 ppm1      8.466 ppm2      3.158 CV     1
 ASSI {  990}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 75   and name HB3 ))
      3.200     1.300     1.300 peak   990 spectrum    1 weight  0.10000E+01 volume  0.85358E-03 ppm1      8.463 ppm2      3.019 CV     1
 ASSI {  991}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak   991 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      8.462 ppm2      2.550 CV     1
 ASSI {  995}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG11))
      4.500     2.600     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.56598E-03 ppm1      8.461 ppm2      0.956 CV     1
 OR {  995}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG13))
 OR {  995}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG12))
 ASSI {  996}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 75   and name H   ))
      2.800     1.000     1.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.14559E-02 ppm1      8.462 ppm2      8.911 CV     1
 ASSI {  999}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.93084E-03 ppm1      8.427 ppm2      4.309 CV     1
 ASSI { 1000}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.91599E-03 ppm1      8.432 ppm2      3.578 CV     1
 ASSI { 1001}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.20172E-02 ppm1      8.431 ppm2      3.444 CV     1
 ASSI { 1003}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 76   and name HB3 ))
      3.600     1.700     1.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.69134E-03 ppm1      8.430 ppm2      2.556 CV     1
 ASSI { 1004}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 77   and name HB  ))
      3.200     1.200     1.200 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.25617E-02 ppm1      8.431 ppm2      2.363 CV     1
 ASSI { 1011}
   (( segid "A   " and resid 78   and name H   ))
   (  segid "A   " and resid 78   and name HD% )
      3.600     1.600     1.600 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.21626E-02 ppm1      8.236 ppm2      7.109 CV     1
 ASSI { 1012}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.39082E-02 ppm1      8.236 ppm2      4.271 CV     1
 ASSI { 1013}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.42828E-02 ppm1      8.235 ppm2      4.150 CV     1
 ASSI { 1014}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 78   and name HB2 ))
      3.000     1.100     1.100 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.18740E-02 ppm1      8.238 ppm2      3.827 CV     1
 ASSI { 1015}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 78   and name HB3 ))
      2.300     0.600     0.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.21431E-02 ppm1      8.237 ppm2      3.453 CV     1
 ASSI { 1017}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HG  ))
      3.600     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.15669E-02 ppm1      8.233 ppm2      2.062 CV     1
 ASSI { 1025}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 77   and name H   ))
      2.600     0.800     0.800 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      8.235 ppm2      8.437 CV     1
 ASSI { 1026}
   (( segid "A   " and resid 79   and name H   ))
   (  segid "A   " and resid 78   and name HD% )
      3.100     1.200     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.10168E-02 ppm1      8.171 ppm2      7.112 CV     1
 ASSI { 1027}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.59771E-03 ppm1      8.167 ppm2      4.393 CV     1
 ASSI { 1029}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 78   and name HB2 ))
      3.900     1.900     1.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.77836E-03 ppm1      8.174 ppm2      3.825 CV     1
 ASSI { 1030}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      8.171 ppm2      3.571 CV     1
 ASSI { 1032}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.10746E-02 ppm1      8.172 ppm2      1.641 CV     1
 ASSI { 1033}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 79   and name HG  ))
      2.500     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      8.171 ppm2      1.264 CV     1
 ASSI { 1034}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 79   and name HB3 ))
      3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.95693E-03 ppm1      8.173 ppm2      1.037 CV     1
 ASSI { 1037}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 78   and name H   ))
      2.900     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.12159E-02 ppm1      8.168 ppm2      8.245 CV     1
 ASSI { 1039}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 79   and name H   ))
      2.900     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.12476E-02 ppm1      8.285 ppm2      8.171 CV     1
 ASSI { 1040}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.23238E-02 ppm1      8.285 ppm2      4.259 CV     1
 ASSI { 1041}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.24737E-02 ppm1      8.285 ppm2      3.957 CV     1
 ASSI { 1043}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.200     1.200     1.200 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.28242E-02 ppm1      8.284 ppm2      3.435 CV     1
 ASSI { 1044}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 81   and name HB2 ))
      3.300     1.400     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.37720E-02 ppm1      8.285 ppm2      3.297 CV     1
 ASSI { 1045}
   (( segid "A   " and resid 80   and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      4.700     2.700     1.300 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.80906E-03 ppm1      8.283 ppm2      2.004 CV     1
 OR { 1045}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI { 1048}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 79   and name HG  ))
      4.400     2.400     1.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.61253E-03 ppm1      8.284 ppm2      1.267 CV     1
 ASSI { 1050}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 79   and name HB3 ))
      3.700     1.700     1.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.73535E-03 ppm1      8.286 ppm2      1.033 CV     1
 ASSI { 1053}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 81   and name H   ))
      2.700     0.900     0.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1      8.283 ppm2      8.589 CV     1
 ASSI { 1055}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 82   and name H   ))
      2.600     0.900     0.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.15730E-02 ppm1      8.589 ppm2      7.811 CV     1
 ASSI { 1056}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 81   and name HA  ))
      2.400     0.700     0.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.35279E-02 ppm1      8.587 ppm2      4.246 CV     1
 ASSI { 1057}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 80   and name HA  ))
      3.200     1.300     1.300 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.98405E-03 ppm1      8.587 ppm2      3.960 CV     1
 ASSI { 1059}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 81   and name HB2 ))
      2.300     0.700     0.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.25894E-02 ppm1      8.586 ppm2      3.307 CV     1
 ASSI { 1060}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 81   and name HG  ))
      2.900     1.100     1.100 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.32167E-02 ppm1      8.587 ppm2      2.903 CV     1
 ASSI { 1061}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 81   and name HB3 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.14999E-02 ppm1      8.585 ppm2      2.784 CV     1
 ASSI { 1062}
   (( segid "A   " and resid 81   and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      3.900     1.900     1.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.75124E-03 ppm1      8.585 ppm2      2.008 CV     1
 ASSI { 1066}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 82   and name HA  ))
      2.600     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.18182E-02 ppm1      7.807 ppm2      3.496 CV     1
 ASSI { 1068}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 81   and name HB3 ))
      3.500     1.500     1.500 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.71540E-03 ppm1      7.813 ppm2      2.784 CV     1
 ASSI { 1069}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 83   and name HB3 ))
      4.300     2.300     1.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.66371E-03 ppm1      7.809 ppm2      1.745 CV     1
 OR { 1069}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 1069}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI { 1070}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 82   and name HB  ))
      2.500     0.800     0.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.23841E-02 ppm1      7.809 ppm2      1.583 CV     1
 ASSI { 1073}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 82   and name HG12))
      3.000     1.100     1.100 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      7.810 ppm2      0.321 CV     1
 ASSI { 1076}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 83   and name H   ))
      2.700     0.900     0.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.18714E-02 ppm1      7.809 ppm2      8.971 CV     1
 ASSI { 1081}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      8.971 ppm2      3.956 CV     1
 ASSI { 1083}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 82   and name HA  ))
      3.300     1.400     1.400 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.88735E-03 ppm1      8.969 ppm2      3.495 CV     1
 ASSI { 1086}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 82   and name HB  ))
      2.500     0.800     0.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.22332E-02 ppm1      8.971 ppm2      1.580 CV     1
 ASSI { 1087}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 82   and name HG13))
      4.000     2.000     2.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.60437E-03 ppm1      8.970 ppm2      1.108 CV     1
 ASSI { 1092}
   (( segid "A   " and resid 84   and name H   ))
   (  segid "B   " and resid 72   and name HE% )
      3.500     1.500     1.500 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      8.930 ppm2      7.004 CV     1
 ASSI { 1093}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 81   and name HA  ))
      3.300     1.300     1.300 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.12532E-02 ppm1      8.930 ppm2      4.239 CV     1
 ASSI { 1094}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.16089E-02 ppm1      8.930 ppm2      4.054 CV     1
 ASSI { 1097}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.800     1.800     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.18842E-02 ppm1      8.933 ppm2      3.150 CV     1
 ASSI { 1099}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      8.931 ppm2      2.370 CV     1
 ASSI { 1100}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 84   and name HB3 ))
      3.800     1.800     1.800 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.17373E-02 ppm1      8.932 ppm2      2.302 CV     1
 ASSI { 1103}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.34414E-02 ppm1      7.640 ppm2      4.284 CV     1
 ASSI { 1104}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10889E-02 ppm1      7.644 ppm2      4.224 CV     1
 ASSI { 1105}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 84   and name HA  ))
      3.400     1.500     1.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.87760E-03 ppm1      7.644 ppm2      4.054 CV     1
 ASSI { 1106}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 83   and name HA  ))
      3.700     1.700     1.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.66271E-03 ppm1      7.639 ppm2      3.865 CV     1
 ASSI { 1107}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 82   and name HA  ))
      3.300     1.300     1.300 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.14963E-02 ppm1      7.641 ppm2      3.495 CV     1
 ASSI { 1109}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.800     1.000     1.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.25505E-02 ppm1      7.641 ppm2      2.584 CV     1
 ASSI { 1111}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 84   and name HB2 ))
      2.900     1.000     1.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      7.643 ppm2      2.366 CV     1
 ASSI { 1112}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HB3 ))
      2.200     0.600     0.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.31216E-02 ppm1      7.641 ppm2      2.263 CV     1
 ASSI { 1113}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HE3 ))
      4.400     2.400     1.600 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      7.643 ppm2      2.194 CV     1
 OR { 1113}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HE2 ))
 OR { 1113}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 85   and name HE1 ))
 ASSI { 1114}
   (( segid "A   " and resid 85   and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      4.300     2.300     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.96000E-03 ppm1      7.644 ppm2      1.593 CV     1
 ASSI { 1116}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 84   and name H   ))
      2.700     0.900     0.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.20111E-02 ppm1      7.640 ppm2      8.933 CV     1
 ASSI { 1117}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 87   and name H   ))
      4.000     2.000     2.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.57211E-03 ppm1      7.642 ppm2      8.704 CV     1
 ASSI { 1118}
   (( segid "A   " and resid 85   and name H   ))
   (( segid "A   " and resid 86   and name H   ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      7.642 ppm2      8.449 CV     1
 ASSI { 1120}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 85   and name HA  ))
      3.400     1.500     1.500 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1      8.447 ppm2      4.284 CV     1
 ASSI { 1121}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 86   and name HA  ))
      2.900     1.000     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.22352E-02 ppm1      8.447 ppm2      4.192 CV     1
 ASSI { 1122}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.12220E-02 ppm1      8.448 ppm2      3.877 CV     1
 ASSI { 1123}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 86   and name HB2 ))
      2.900     1.100     1.100 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      8.447 ppm2      3.237 CV     1
 ASSI { 1124}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 86   and name HB3 ))
      2.900     1.000     1.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.13121E-02 ppm1      8.447 ppm2      3.076 CV     1
 ASSI { 1125}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 85   and name HB2 ))
      3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.11064E-02 ppm1      8.445 ppm2      2.587 CV     1
 ASSI { 1126}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 85   and name HB3 ))
      3.000     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.89194E-03 ppm1      8.447 ppm2      2.262 CV     1
 ASSI { 1127}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "B   " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.78449E-03 ppm1      8.450 ppm2      2.184 CV     1
 ASSI { 1128}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 83   and name HB1 ))
      4.200     2.300     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.73690E-03 ppm1      8.445 ppm2      1.742 CV     1
 OR { 1128}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 1128}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 83   and name HB3 ))
 ASSI { 1129}
   (( segid "A   " and resid 86   and name H   ))
   (( segid "A   " and resid 87   and name H   ))
      2.800     1.000     1.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.16360E-02 ppm1      8.447 ppm2      8.699 CV     1
 ASSI { 1133}
   (( segid "A   " and resid 87   and name H   ))
   (  segid "B   " and resid 72   and name HE% )
      4.700     2.700     1.300 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.67701E-03 ppm1      8.701 ppm2      7.005 CV     1
 ASSI { 1134}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "B   " and resid 72   and name HZ  ))
      3.900     1.900     1.900 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.80599E-03 ppm1      8.700 ppm2      6.911 CV     1
 ASSI { 1135}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "A   " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.23161E-02 ppm1      8.698 ppm2      4.242 CV     1
 ASSI { 1136}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "A   " and resid 84   and name HA  ))
      3.500     1.500     1.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.93136E-03 ppm1      8.698 ppm2      4.057 CV     1
 ASSI { 1139}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "A   " and resid 87   and name HB2 ))
      2.700     0.900     0.900 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.21636E-02 ppm1      8.697 ppm2      2.394 CV     1
 ASSI { 1140}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "A   " and resid 87   and name HB3 ))
      2.700     0.900     0.900 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.22521E-02 ppm1      8.697 ppm2      1.766 CV     1
 ASSI { 1142}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "B   " and resid 13   and name HG23))
      3.900     1.900     1.900 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.86123E-03 ppm1      8.700 ppm2      0.858 CV     1
 OR { 1142}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "B   " and resid 13   and name HG21))
 OR { 1142}
   (( segid "A   " and resid 87   and name H   ))
   (( segid "B   " and resid 13   and name HG22))
 ASSI { 1143}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 89   and name H   ))
      2.600     0.900     0.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.27700E-02 ppm1      7.544 ppm2      7.370 CV     1
 ASSI { 1144}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.13300E-02 ppm1      7.545 ppm2      4.279 CV     1
 ASSI { 1146}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.44678E-02 ppm1      7.545 ppm2      3.938 CV     1
 ASSI { 1148}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 88   and name HG3 ))
      3.700     1.700     1.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      7.544 ppm2      2.158 CV     1
 ASSI { 1150}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 88   and name HB3 ))
      2.900     1.000     1.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.30653E-02 ppm1      7.544 ppm2      1.902 CV     1
 ASSI { 1151}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.86585E-03 ppm1      7.546 ppm2      1.768 CV     1
 ASSI { 1153}
   (( segid "A   " and resid 88   and name H   ))
   (( segid "A   " and resid 87   and name H   ))
      2.800     1.000     1.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.19533E-02 ppm1      7.546 ppm2      8.700 CV     1
 ASSI { 1154}
   (( segid "A   " and resid 89   and name H   ))
   (  segid "A   " and resid 89   and name HD% )
      3.800     1.800     1.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.23934E-02 ppm1      7.370 ppm2      7.134 CV     1
 ASSI { 1155}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 89   and name HA  ))
      2.600     0.900     0.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.41517E-02 ppm1      7.369 ppm2      4.447 CV     1
 ASSI { 1157}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.21145E-02 ppm1      7.369 ppm2      3.936 CV     1
 ASSI { 1158}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.31298E-02 ppm1      7.370 ppm2      3.125 CV     1
 ASSI { 1159}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 89   and name HB3 ))
      2.700     0.900     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.38078E-02 ppm1      7.371 ppm2      2.994 CV     1
 ASSI { 1160}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 88   and name HG2 ))
      4.300     2.400     1.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.56394E-03 ppm1      7.371 ppm2      2.420 CV     1
 ASSI { 1161}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 88   and name HG3 ))
      4.500     2.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.66116E-03 ppm1      7.370 ppm2      2.154 CV     1
 ASSI { 1164}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 87   and name H   ))
      4.100     2.100     1.900 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.55678E-03 ppm1      7.370 ppm2      8.702 CV     1
 ASSI { 1165}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 91   and name H   ))
      4.600     2.700     1.400 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.55523E-03 ppm1      7.373 ppm2      8.025 CV     1
 ASSI { 1167}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 89   and name H   ))
      2.400     0.700     0.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.39254E-02 ppm1      7.577 ppm2      7.370 CV     1
 ASSI { 1169}
   (( segid "A   " and resid 90   and name H   ))
   (  segid "A   " and resid 90   and name HD% )
      4.200     2.200     1.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.19635E-02 ppm1      7.579 ppm2      6.915 CV     1
 ASSI { 1171}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 89   and name HA  ))
      2.900     1.100     1.100 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.24809E-02 ppm1      7.576 ppm2      4.447 CV     1
 ASSI { 1172}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 87   and name HA  ))
      3.500     1.500     1.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.13505E-02 ppm1      7.578 ppm2      4.245 CV     1
 ASSI { 1173}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.41107E-02 ppm1      7.576 ppm2      4.163 CV     1
 ASSI { 1174}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.75530E-03 ppm1      7.573 ppm2      3.935 CV     1
 ASSI { 1176}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 89   and name HB2 ))
      3.900     1.900     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.13474E-02 ppm1      7.574 ppm2      3.121 CV     1
 ASSI { 1177}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 90   and name HB2 ))
      2.300     0.700     0.700 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.48094E-02 ppm1      7.576 ppm2      2.971 CV     1
 ASSI { 1178}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 90   and name HB3 ))
      2.900     1.000     1.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.36532E-02 ppm1      7.576 ppm2      2.814 CV     1
 ASSI { 1180}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "B   " and resid 13   and name HG23))
      4.300     2.300     1.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.63507E-03 ppm1      7.578 ppm2      0.853 CV     1
 OR { 1180}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "B   " and resid 13   and name HG22))
 OR { 1180}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "B   " and resid 13   and name HG21))
 ASSI { 1184}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 90   and name H   ))
      2.700     0.900     0.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.26088E-02 ppm1      8.029 ppm2      7.574 CV     1
 ASSI { 1185}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 92   and name H   ))
      2.400     0.700     0.700 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.28468E-02 ppm1      8.029 ppm2      7.189 CV     1
 ASSI { 1186}
   (( segid "A   " and resid 91   and name H   ))
   (  segid "A   " and resid 90   and name HD% )
      3.500     1.500     1.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.18663E-02 ppm1      8.030 ppm2      6.913 CV     1
 ASSI { 1187}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.62125E-02 ppm1      8.030 ppm2      4.162 CV     1
 ASSI { 1189}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.65399E-03 ppm1      8.028 ppm2      3.937 CV     1
 ASSI { 1190}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 90   and name HB2 ))
      3.800     1.800     1.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.15116E-02 ppm1      8.030 ppm2      2.972 CV     1
 ASSI { 1191}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 90   and name HB3 ))
      2.700     0.900     0.900 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.16754E-02 ppm1      8.028 ppm2      2.814 CV     1
 ASSI { 1193}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 91   and name HB2 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.35692E-02 ppm1      8.030 ppm2      1.905 CV     1
 OR { 1193}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 91   and name HG3 ))
 ASSI { 1194}
   (( segid "A   " and resid 91   and name H   ))
   (( segid "A   " and resid 91   and name HB3 ))
      3.300     1.400     1.400 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.31922E-02 ppm1      8.030 ppm2      1.772 CV     1
 ASSI { 1196}
   (( segid "A   " and resid 92   and name H   ))
   (  segid "A   " and resid 90   and name HD% )
      2.600     2.600     3.400 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.97382E-03 ppm1      7.184 ppm2      6.913 CV     1
 ASSI { 1197}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 89   and name HA  ))
      3.500     1.500     1.500 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.69390E-03 ppm1      7.186 ppm2      4.447 CV     1
 ASSI { 1198}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 90   and name HA  ))
      4.100     2.100     1.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.10455E-02 ppm1      7.188 ppm2      4.163 CV     1
 ASSI { 1199}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.37546E-02 ppm1      7.188 ppm2      4.008 CV     1
 ASSI { 1200}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 92   and name HA2 ))
      2.300     0.600     0.600 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.60027E-02 ppm1      7.188 ppm2      3.828 CV     1
 ASSI { 1201}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 92   and name HA3 ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.60333E-02 ppm1      7.188 ppm2      3.678 CV     1
 ASSI { 1202}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 91   and name HG2 ))
      5.000     3.200     1.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.55164E-03 ppm1      7.190 ppm2      2.222 CV     1
 ASSI { 1203}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 91   and name HB2 ))
      3.500     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.12266E-02 ppm1      7.189 ppm2      1.907 CV     1
 OR { 1203}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 91   and name HG3 ))
 ASSI { 1208}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 90   and name H   ))
      4.000     2.000     2.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.69955E-03 ppm1      7.184 ppm2      7.572 CV     1
 ASSI { 1209}
   (( segid "A   " and resid 93   and name H   ))
   (  segid "A   " and resid 93   and name HD% )
      2.800     1.000     1.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.31779E-02 ppm1      8.038 ppm2      7.288 CV     1
 ASSI { 1210}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 92   and name H   ))
      2.500     0.800     0.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.43590E-02 ppm1      8.038 ppm2      7.187 CV     1
 ASSI { 1211}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 93   and name HA  ))
      2.200     0.600     0.600 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.94518E-02 ppm1      8.038 ppm2      4.789 CV     1
 ASSI { 1214}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 91   and name HA  ))
      4.100     2.200     1.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.96665E-03 ppm1      8.039 ppm2      4.008 CV     1
 ASSI { 1215}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 92   and name HA2 ))
      2.600     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.58338E-02 ppm1      8.038 ppm2      3.828 CV     1
 ASSI { 1216}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 92   and name HA3 ))
      2.700     0.900     0.900 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.69083E-02 ppm1      8.038 ppm2      3.687 CV     1
 ASSI { 1217}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 94   and name HD3 ))
      3.600     1.700     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.20311E-02 ppm1      8.040 ppm2      3.566 CV     1
 ASSI { 1218}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 93   and name HB2 ))
      2.900     1.000     1.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.47822E-02 ppm1      8.038 ppm2      3.160 CV     1
 ASSI { 1219}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 93   and name HB3 ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.81519E-02 ppm1      8.038 ppm2      2.943 CV     1
 ASSI { 1220}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 91   and name HB2 ))
      3.300     1.300     1.300 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      8.038 ppm2      1.899 CV     1
 OR { 1220}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 91   and name HG3 ))
 ASSI { 1221}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 91   and name HB3 ))
      4.000     2.000     2.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.70978E-03 ppm1      8.038 ppm2      1.779 CV     1
 ASSI { 1224}
   (( segid "A   " and resid 95   and name H   ))
   (  segid "A   " and resid 93   and name HD% )
      3.800     1.800     1.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.57876E-03 ppm1      8.310 ppm2      7.289 CV     1
 ASSI { 1225}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 93   and name HA  ))
      3.500     1.500     1.500 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12809E-02 ppm1      8.302 ppm2      4.797 CV     1
 ASSI { 1227}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 95   and name HA  ))
      2.200     0.600     0.600 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.96307E-02 ppm1      8.306 ppm2      4.630 CV     1
 ASSI { 1228}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 94   and name HA  ))
      1.900     0.400     0.400 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.28565E-01 ppm1      8.310 ppm2      4.447 CV     1
 ASSI { 1229}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 94   and name HD2 ))
      3.600     1.600     1.600 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.11258E-02 ppm1      8.300 ppm2      3.716 CV     1
 ASSI { 1230}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 94   and name HD3 ))
      2.300     2.300     3.700 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.22424E-02 ppm1      8.301 ppm2      3.567 CV     1
 ASSI { 1233}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 94   and name HB2 ))
      3.700     1.700     1.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.26477E-02 ppm1      8.309 ppm2      2.267 CV     1
 ASSI { 1234}
   (( segid "A   " and resid 95   and name H   ))
   (( segid "A   " and resid 94   and name HB3 ))
      3.500     1.600     1.600 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.59820E-02 ppm1      8.304 ppm2      1.975 CV     1
 ASSI { 1238}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name HA  ))
      2.100     0.500     0.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.15664E-01 ppm1      8.161 ppm2      4.628 CV     1
 ASSI { 1239}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.82081E-02 ppm1      8.161 ppm2      4.372 CV     1
 ASSI { 1240}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 93   and name HB2 ))
      3.900     1.900     1.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.56343E-03 ppm1      8.161 ppm2      3.162 CV     1
 ASSI { 1241}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name HB2 ))
      4.000     2.000     2.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.21401E-02 ppm1      8.159 ppm2      2.760 CV     1
 ASSI { 1242}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name HB3 ))
      4.000     2.000     2.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17788E-02 ppm1      8.162 ppm2      2.676 CV     1
 ASSI { 1243}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HB2 ))
      3.100     1.200     1.200 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      8.159 ppm2      1.923 CV     1
 ASSI { 1244}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HB3 ))
      2.400     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.68776E-02 ppm1      8.160 ppm2      1.799 CV     1
 ASSI { 1245}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HD3 ))
      4.800     2.900     1.200 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.56136E-03 ppm1      8.157 ppm2      1.707 CV     1
 OR { 1245}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HD2 ))
 ASSI { 1246}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HG2 ))
      3.500     1.500     1.500 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.22434E-02 ppm1      8.161 ppm2      1.473 CV     1
 OR { 1246}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 96   and name HG3 ))
 ASSI { 1249}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name H   ))
      3.300     1.400     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.33584E-02 ppm1      8.161 ppm2      8.313 CV     1
 ASSI { 1254}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 97   and name HA  ))
      2.700     0.900     0.900 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.45026E-02 ppm1      8.247 ppm2      4.650 CV     1
 ASSI { 1255}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 96   and name HA  ))
      2.100     0.600     0.600 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.11662E-01 ppm1      8.246 ppm2      4.371 CV     1
 ASSI { 1256}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 98   and name HD3 ))
      3.900     1.900     1.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.57980E-03 ppm1      8.253 ppm2      3.709 CV     1
 ASSI { 1257}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 97   and name HG2 ))
      3.600     1.600     1.600 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.23263E-02 ppm1      8.245 ppm2      2.428 CV     1
 OR { 1257}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 97   and name HG3 ))
 ASSI { 1258}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.23560E-02 ppm1      8.247 ppm2      2.139 CV     1
 ASSI { 1259}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 97   and name HB3 ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.60333E-02 ppm1      8.246 ppm2      1.989 CV     1
 ASSI { 1260}
   (( segid "A   " and resid 97   and name H   ))
   (( segid "A   " and resid 96   and name HB3 ))
      4.200     2.300     1.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      8.247 ppm2      1.796 CV     1
 ASSI { 1265}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.33836E-02 ppm1      8.271 ppm2      4.490 CV     1
 ASSI { 1266}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 4    and name HG3 ))
      3.300     1.400     1.400 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.16800E-02 ppm1      8.270 ppm2      2.191 CV     1
 OR { 1266}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 4    and name HB3 ))
 ASSI { 1268}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB3 ))
      2.300     0.600     0.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.12983E-01 ppm1      8.271 ppm2      1.481 CV     1
 OR { 1268}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB2 ))
 OR { 1268}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 2    and name HB1 ))
 ASSI { 1270}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 3    and name H   ))
      3.900     1.900     1.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.15940E-02 ppm1      8.272 ppm2      8.879 CV     1
 ASSI { 1272}
   (( segid "B   " and resid 3    and name H   ))
   (( segid "B   " and resid 3    and name HA  ))
      2.900     1.000     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.13986E-02 ppm1      8.879 ppm2      4.926 CV     1
 ASSI { 1274}
   (( segid "B   " and resid 3    and name H   ))
   (( segid "B   " and resid 2    and name HA  ))
      2.300     0.600     0.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.60282E-02 ppm1      8.877 ppm2      4.493 CV     1
 ASSI { 1275}
   (( segid "B   " and resid 3    and name H   ))
   (( segid "B   " and resid 3    and name HB2 ))
      3.500     1.500     1.500 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.84742E-03 ppm1      8.885 ppm2      3.570 CV     1
 ASSI { 1280}
   (( segid "B   " and resid 3    and name H   ))
   (( segid "B   " and resid 4    and name HD3 ))
      3.500     1.500     1.500 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.86382E-03 ppm1      8.879 ppm2      4.034 CV     1
 OR { 1280}
   (( segid "B   " and resid 3    and name H   ))
   (( segid "B   " and resid 4    and name HD2 ))
 ASSI { 1281}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.57825E-03 ppm1      7.096 ppm2      4.341 CV     1
 ASSI { 1283}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HB3 ))
      3.500     1.600     1.600 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.57008E-03 ppm1      7.096 ppm2      1.637 CV     1
 ASSI { 1284}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HD12))
      4.500     2.500     1.500 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.60437E-03 ppm1      7.109 ppm2      1.047 CV     1
 OR { 1284}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 1284}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 1284}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 1284}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HD22))
 ASSI { 1290}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 6    and name HA  ))
      3.400     1.500     1.500 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.11483E-02 ppm1      8.253 ppm2      4.070 CV     1
 ASSI { 1291}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "A   " and resid 41   and name HG2 ))
      4.200     2.200     1.800 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.64989E-03 ppm1      8.249 ppm2      2.613 CV     1
 ASSI { 1295}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.27060E-02 ppm1      7.826 ppm2      4.262 CV     1
 ASSI { 1298}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.21442E-02 ppm1      7.823 ppm2      2.204 CV     1
 ASSI { 1299}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 9    and name HG  ))
      3.100     1.200     1.200 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.29158E-02 ppm1      7.825 ppm2      1.928 CV     1
 ASSI { 1301}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 9    and name HB3 ))
      3.500     1.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.16309E-02 ppm1      7.825 ppm2      1.423 CV     1
 ASSI { 1305}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.38107E-02 ppm1      7.755 ppm2      4.557 CV     1
 ASSI { 1308}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.66526E-02 ppm1      7.756 ppm2      3.028 CV     1
 OR { 1308}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 10   and name HB3 ))
 ASSI { 1310}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.14559E-02 ppm1      7.756 ppm2      2.204 CV     1
 ASSI { 1312}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.78397E-03 ppm1      7.751 ppm2      1.685 CV     1
 OR { 1312}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 1312}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI { 1313}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HB3 ))
      3.900     1.900     1.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      7.754 ppm2      1.420 CV     1
 ASSI { 1315}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD12))
      4.300     2.300     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.91089E-03 ppm1      7.757 ppm2      0.817 CV     1
 OR { 1315}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 1315}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD11))
 ASSI { 1316}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD22))
      4.100     2.100     1.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.87760E-03 ppm1      7.751 ppm2      0.666 CV     1
 OR { 1316}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 1316}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HD21))
 ASSI { 1317}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 11   and name H   ))
      2.700     0.900     0.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.23565E-02 ppm1      7.757 ppm2      8.464 CV     1
 ASSI { 1318}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 8    and name H   ))
      3.800     1.800     1.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.55626E-03 ppm1      7.757 ppm2      8.307 CV     1
 ASSI { 1319}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name H   ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.28923E-02 ppm1      7.756 ppm2      7.822 CV     1
 ASSI { 1322}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.12061E-02 ppm1      8.464 ppm2      4.556 CV     1
 ASSI { 1331}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 12   and name H   ))
      2.600     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.19231E-02 ppm1      8.463 ppm2      8.796 CV     1
 ASSI { 1333}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      8.794 ppm2      4.262 CV     1
 ASSI { 1335}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.20700E-02 ppm1      8.795 ppm2      4.063 CV     1
 ASSI { 1338}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      8.797 ppm2      2.576 CV     1
 ASSI { 1339}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 12   and name HG3 ))
      2.300     0.700     0.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.33904E-02 ppm1      8.798 ppm2      2.377 CV     1
 ASSI { 1340}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 12   and name HB3 ))
      3.700     1.700     1.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      8.796 ppm2      2.198 CV     1
 ASSI { 1347}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 72   and name HZ  ))
      4.600     2.700     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      8.430 ppm2      6.922 CV     1
 ASSI { 1348}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 10   and name HA  ))
      3.500     1.600     1.600 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.10854E-02 ppm1      8.432 ppm2      4.555 CV     1
 ASSI { 1350}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.22194E-02 ppm1      8.432 ppm2      4.069 CV     1
 ASSI { 1352}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 13   and name HB  ))
      3.100     1.200     1.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.37923E-02 ppm1      8.433 ppm2      2.388 CV     1
 ASSI { 1356}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 14   and name H   ))
      2.600     0.800     0.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      8.434 ppm2      8.885 CV     1
 ASSI { 1357}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 12   and name H   ))
      2.700     0.900     0.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.15792E-02 ppm1      8.432 ppm2      8.798 CV     1
 ASSI { 1358}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 15   and name H   ))
      2.800     1.000     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.16258E-02 ppm1      8.887 ppm2      8.630 CV     1
 ASSI { 1360}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 10   and name HA  ))
      3.600     1.700     1.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.99377E-03 ppm1      8.889 ppm2      4.554 CV     1
 ASSI { 1361}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.58696E-02 ppm1      8.886 ppm2      4.111 CV     1
 ASSI { 1362}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.10071E-02 ppm1      8.884 ppm2      3.942 CV     1
 ASSI { 1363}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 13   and name HB  ))
      3.300     1.300     1.300 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.30724E-02 ppm1      8.885 ppm2      2.386 CV     1
 ASSI { 1367}
   (( segid "A   " and resid 15   and name H   ))
   (( segid "A   " and resid 16   and name H   ))
      2.900     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.13198E-02 ppm1      8.624 ppm2      7.059 CV     1
 ASSI { 1369}
   (( segid "A   " and resid 15   and name H   ))
   (( segid "A   " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.22726E-02 ppm1      8.629 ppm2      4.435 CV     1
 ASSI { 1370}
   (( segid "A   " and resid 15   and name H   ))
   (( segid "A   " and resid 14   and name HB3 ))
      2.900     1.100     1.100 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.19865E-02 ppm1      8.628 ppm2      4.112 CV     1
 OR { 1370}
   (( segid "A   " and resid 15   and name H   ))
   (( segid "A   " and resid 14   and name HB2 ))
 ASSI { 1371}
   (( segid "A   " and resid 15   and name H   ))
   (( segid "A   " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.20326E-02 ppm1      8.629 ppm2      4.013 CV     1
 ASSI { 1380}
   (( segid "A   " and resid 16   and name H   ))
   (  segid "A   " and resid 16   and name HD% )
      4.800     2.900     1.200 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.71233E-03 ppm1      7.063 ppm2      5.633 CV     1
 ASSI { 1381}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      7.062 ppm2      4.434 CV     1
 ASSI { 1382}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.83821E-03 ppm1      7.060 ppm2      4.071 CV     1
 ASSI { 1383}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 15   and name HB  ))
      3.100     1.200     1.200 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.93646E-03 ppm1      7.063 ppm2      4.019 CV     1
 ASSI { 1384}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.22485E-02 ppm1      7.061 ppm2      3.579 CV     1
 ASSI { 1385}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.15582E-02 ppm1      7.064 ppm2      3.043 CV     1
 ASSI { 1386}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 16   and name HB3 ))
      3.200     1.200     1.200 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.15812E-02 ppm1      7.062 ppm2      2.609 CV     1
 ASSI { 1391}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 17   and name H   ))
      3.100     1.200     1.200 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.22966E-02 ppm1      7.060 ppm2      7.005 CV     1
 ASSI { 1392}
   (( segid "A   " and resid 17   and name H   ))
   (  segid "A   " and resid 16   and name HD% )
      4.000     2.000     2.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.79831E-03 ppm1      7.003 ppm2      5.622 CV     1
 ASSI { 1394}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.78091E-03 ppm1      7.006 ppm2      4.102 CV     1
 ASSI { 1398}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 17   and name HB3 ))
      3.500     1.600     1.600 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      7.005 ppm2      2.971 CV     1
 ASSI { 1399}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 16   and name HB3 ))
      2.900     1.000     1.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.58696E-03 ppm1      7.010 ppm2      2.613 CV     1
 ASSI { 1401}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 17   and name HD2 ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.12051E-02 ppm1      7.004 ppm2      7.422 CV     1
 ASSI { 1402}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 17   and name H   ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.18806E-02 ppm1      7.775 ppm2      7.007 CV     1
 ASSI { 1403}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 19   and name H   ))
      2.700     0.900     0.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.24174E-02 ppm1      7.779 ppm2      6.860 CV     1
 ASSI { 1405}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 19   and name HA  ))
      4.800     2.800     1.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.59872E-03 ppm1      7.774 ppm2      4.360 CV     1
 ASSI { 1406}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.50082E-02 ppm1      7.777 ppm2      3.997 CV     1
 ASSI { 1409}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 18   and name HG2 ))
      4.400     2.500     1.600 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      7.775 ppm2      1.441 CV     1
 ASSI { 1410}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 18   and name HG3 ))
      4.700     2.800     1.300 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.80289E-03 ppm1      7.775 ppm2      0.827 CV     1
 ASSI { 1411}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 20   and name H   ))
      4.400     2.400     1.600 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      7.775 ppm2      8.329 CV     1
 ASSI { 1412}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.16069E-02 ppm1      6.862 ppm2      4.359 CV     1
 ASSI { 1414}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 20   and name HA  ))
      4.800     2.900     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.60130E-03 ppm1      6.866 ppm2      3.552 CV     1
 ASSI { 1415}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      6.862 ppm2      2.942 CV     1
 ASSI { 1416}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 19   and name HB3 ))
      4.200     2.200     1.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.98560E-03 ppm1      6.864 ppm2      2.337 CV     1
 ASSI { 1417}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 18   and name HB2 ))
      4.200     2.200     1.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.84025E-03 ppm1      6.863 ppm2      1.908 CV     1
 ASSI { 1419}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 20   and name H   ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      6.860 ppm2      8.327 CV     1
 ASSI { 1421}
   (( segid "A   " and resid 19   and name H   ))
   (  segid "A   " and resid 19   and name HD% )
      2.700     0.900     0.900 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.22214E-02 ppm1      6.860 ppm2      7.397 CV     1
 ASSI { 1423}
   (( segid "A   " and resid 20   and name H   ))
   (  segid "A   " and resid 19   and name HD% )
      4.300     2.400     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.82850E-03 ppm1      8.333 ppm2      7.401 CV     1
 ASSI { 1426}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      8.333 ppm2      4.364 CV     1
 ASSI { 1427}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.16631E-02 ppm1      8.328 ppm2      3.544 CV     1
 ASSI { 1428}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 20   and name HB2 ))
      3.900     1.900     1.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.79983E-03 ppm1      8.331 ppm2      3.078 CV     1
 ASSI { 1430}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 20   and name HB3 ))
      2.800     0.900     0.900 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      8.329 ppm2      2.180 CV     1
 ASSI { 1431}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
      3.400     1.400     1.400 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.15797E-02 ppm1      8.331 ppm2      0.288 CV     1
 OR { 1431}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 1431}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
 ASSI { 1432}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 22   and name H   ))
      2.700     0.900     0.900 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.29901E-02 ppm1      7.778 ppm2      7.230 CV     1
 ASSI { 1433}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 19   and name H   ))
      3.700     1.700     1.700 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.71285E-03 ppm1      7.775 ppm2      6.864 CV     1
 ASSI { 1434}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.87915E-03 ppm1      7.778 ppm2      4.802 CV     1
 ASSI { 1435}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      7.777 ppm2      4.416 CV     1
 ASSI { 1436}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 21   and name HA2 ))
      3.100     1.200     1.200 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.31927E-02 ppm1      7.778 ppm2      4.144 CV     1
 ASSI { 1438}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 21   and name HA3 ))
      2.400     0.700     0.700 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.45662E-02 ppm1      7.780 ppm2      3.864 CV     1
 ASSI { 1439}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.11207E-02 ppm1      7.790 ppm2      3.554 CV     1
 ASSI { 1440}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 20   and name HB3 ))
      4.100     2.100     1.900 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      7.780 ppm2      2.164 CV     1
 ASSI { 1441}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
      4.700     2.800     1.300 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.67036E-03 ppm1      7.782 ppm2      0.291 CV     1
 OR { 1441}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 1441}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
 ASSI { 1443}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 20   and name H   ))
      2.700     0.900     0.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      7.780 ppm2      8.329 CV     1
 ASSI { 1444}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.66319E-03 ppm1      7.233 ppm2      4.354 CV     1
 ASSI { 1445}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 21   and name HA3 ))
      3.500     1.500     1.500 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      7.229 ppm2      3.867 CV     1
 ASSI { 1446}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.72153E-03 ppm1      7.229 ppm2      3.539 CV     1
 ASSI { 1447}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 33   and name HG2 ))
      4.400     2.500     1.600 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.56239E-03 ppm1      7.232 ppm2      2.521 CV     1
 ASSI { 1455}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.76454E-03 ppm1      7.208 ppm2      2.881 CV     1
 ASSI { 1457}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 33   and name H   ))
      3.900     1.900     1.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.60385E-03 ppm1      9.584 ppm2      8.691 CV     1
 ASSI { 1459}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.84793E-03 ppm1      9.585 ppm2      4.791 CV     1
 ASSI { 1460}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
      5.100     3.300     0.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      9.586 ppm2      4.065 CV     1
 ASSI { 1461}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 30   and name HB3 ))
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.55419E-03 ppm1      9.584 ppm2      3.055 CV     1
 ASSI { 1462}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.10915E-02 ppm1      9.591 ppm2      2.238 CV     1
 ASSI { 1464}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 29   and name HB3 ))
      3.900     1.900     1.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.58593E-03 ppm1      9.582 ppm2      1.255 CV     1
 ASSI { 1465}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 29   and name HD23))
      4.600     2.600     1.400 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.13325E-02 ppm1      9.588 ppm2      0.272 CV     1
 OR { 1465}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 29   and name HD21))
 OR { 1465}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 1466}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 32   and name H   ))
      2.800     1.000     1.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.17118E-02 ppm1      8.344 ppm2      7.718 CV     1
 ASSI { 1467}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.29870E-02 ppm1      8.344 ppm2      4.795 CV     1
 ASSI { 1470}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.20920E-02 ppm1      8.344 ppm2      3.468 CV     1
 ASSI { 1471}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HE3 ))
      3.800     1.800     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.17353E-02 ppm1      8.344 ppm2      3.058 CV     1
 OR { 1471}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HE2 ))
 ASSI { 1473}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.34159E-02 ppm1      8.345 ppm2      1.908 CV     1
 OR { 1473}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HB3 ))
 ASSI { 1474}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HD2 ))
      4.800     2.900     1.200 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.64582E-03 ppm1      8.350 ppm2      1.772 CV     1
 OR { 1474}
   (( segid "B   " and resid 31   and name H   ))
   (( segid "B   " and resid 31   and name HD3 ))
 ASSI { 1478}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 36   and name H   ))
      3.900     1.900     1.900 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.64017E-03 ppm1      8.917 ppm2      7.845 CV     1
 ASSI { 1479}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.22506E-02 ppm1      8.919 ppm2      3.984 CV     1
 ASSI { 1480}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 34   and name HB2 ))
      2.300     0.700     0.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.17445E-02 ppm1      8.918 ppm2      2.116 CV     1
 ASSI { 1482}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 34   and name HG  ))
      3.300     1.400     1.400 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.71643E-03 ppm1      8.917 ppm2      1.636 CV     1
 ASSI { 1483}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 34   and name HB3 ))
      3.600     1.600     1.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      8.919 ppm2      1.427 CV     1
 ASSI { 1484}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 29   and name HB3 ))
      2.900     1.100     1.100 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.84128E-03 ppm1      8.922 ppm2      1.256 CV     1
 ASSI { 1487}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 30   and name H   ))
      4.200     2.200     1.800 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.64479E-03 ppm1      8.916 ppm2      9.596 CV     1
 ASSI { 1488}
   (( segid "B   " and resid 34   and name H   ))
   (( segid "B   " and resid 33   and name H   ))
      2.700     0.900     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.18187E-02 ppm1      8.920 ppm2      8.692 CV     1
 ASSI { 1489}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 37   and name H   ))
      3.600     1.600     1.600 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.80648E-03 ppm1      8.028 ppm2      7.962 CV     1
 ASSI { 1491}
   (( segid "B   " and resid 35   and name H   ))
   (  segid "B   " and resid 55   and name HE% )
      4.000     2.000     2.000 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.63965E-03 ppm1      8.027 ppm2      7.240 CV     1
 ASSI { 1492}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.14456E-02 ppm1      8.029 ppm2      4.141 CV     1
 ASSI { 1494}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      8.025 ppm2      3.987 CV     1
 ASSI { 1495}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.25213E-02 ppm1      8.028 ppm2      3.542 CV     1
 ASSI { 1496}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.88939E-03 ppm1      8.029 ppm2      2.111 CV     1
 ASSI { 1497}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      8.026 ppm2      1.717 CV     1
 ASSI { 1498}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HG  ))
      4.400     2.400     1.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.75737E-03 ppm1      8.025 ppm2      1.646 CV     1
 ASSI { 1499}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HB3 ))
      3.600     1.600     1.600 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.77529E-03 ppm1      8.029 ppm2      1.433 CV     1
 ASSI { 1500}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HD2 ))
      5.200     3.400     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.89759E-03 ppm1      8.027 ppm2      1.332 CV     1
 ASSI { 1501}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.24522E-02 ppm1      8.028 ppm2      1.265 CV     1
 ASSI { 1504}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HG3 ))
      4.800     2.800     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.62994E-03 ppm1      8.031 ppm2      0.782 CV     1
 OR { 1504}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI { 1506}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name H   ))
      2.700     0.900     0.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.20014E-02 ppm1      8.027 ppm2      8.919 CV     1
 ASSI { 1507}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      7.855 ppm2      4.147 CV     1
 ASSI { 1509}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.28304E-02 ppm1      7.852 ppm2      3.829 CV     1
 ASSI { 1510}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      7.853 ppm2      3.539 CV     1
 ASSI { 1512}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      7.851 ppm2      1.717 CV     1
 ASSI { 1513}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HG2 ))
      4.000     2.000     2.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.71130E-03 ppm1      7.849 ppm2      0.779 CV     1
 OR { 1513}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HG3 ))
 ASSI { 1515}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name H   ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.22716E-02 ppm1      7.851 ppm2      8.028 CV     1
 ASSI { 1516}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.16084E-02 ppm1      7.849 ppm2      4.063 CV     1
 ASSI { 1519}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.11565E-02 ppm1      7.850 ppm2      1.257 CV     1
 ASSI { 1523}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.61560E-03 ppm1      8.516 ppm2      3.542 CV     1
 ASSI { 1524}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.77426E-03 ppm1      8.514 ppm2      2.592 CV     1
 ASSI { 1526}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HB3 ))
      3.400     1.500     1.500 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.17271E-02 ppm1      8.517 ppm2      2.010 CV     1
 ASSI { 1527}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HB2 ))
      2.400     0.700     0.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.17245E-02 ppm1      8.517 ppm2      1.711 CV     1
 ASSI { 1528}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 39   and name HG23))
      4.200     2.200     1.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.72563E-03 ppm1      8.516 ppm2      1.339 CV     1
 OR { 1528}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 39   and name HG21))
 OR { 1528}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 39   and name HG22))
 ASSI { 1529}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HB3 ))
      2.900     1.000     1.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.66371E-03 ppm1      8.514 ppm2      1.178 CV     1
 ASSI { 1530}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HD12))
      3.100     1.200     1.200 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.26825E-02 ppm1      8.518 ppm2      1.039 CV     1
 OR { 1530}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HD11))
 OR { 1530}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HD13))
 OR { 1530}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HD23))
 OR { 1530}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 38   and name HD22))
 ASSI { 1534}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      7.962 ppm2      3.976 CV     1
 ASSI { 1538}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HB2 ))
      3.300     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.91854E-03 ppm1      7.962 ppm2      1.726 CV     1
 ASSI { 1543}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 40   and name H   ))
      3.000     1.100     1.100 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      7.960 ppm2      8.216 CV     1
 ASSI { 1546}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 39   and name HB  ))
      3.400     1.500     1.500 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.14523E-02 ppm1      8.215 ppm2      4.229 CV     1
 ASSI { 1547}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.97075E-03 ppm1      8.222 ppm2      3.976 CV     1
 ASSI { 1551}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 41   and name HB2 ))
      4.700     2.700     1.300 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.55471E-03 ppm1      8.225 ppm2      2.446 CV     1
 ASSI { 1552}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.17292E-02 ppm1      8.219 ppm2      2.200 CV     1
 ASSI { 1553}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 40   and name HG2 ))
      2.700     0.900     0.900 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.30525E-02 ppm1      8.219 ppm2      1.992 CV     1
 OR { 1553}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 40   and name HB3 ))
 ASSI { 1557}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 40   and name H   ))
      2.800     1.000     1.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.16836E-02 ppm1      8.516 ppm2      8.217 CV     1
 ASSI { 1558}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 42   and name H   ))
      2.500     0.800     0.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.21334E-02 ppm1      8.515 ppm2      7.600 CV     1
 ASSI { 1559}
   (( segid "B   " and resid 41   and name H   ))
   (  segid "B   " and resid 19   and name HE% )
      2.800     2.800     3.200 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.58951E-03 ppm1      8.508 ppm2      6.858 CV     1
 ASSI { 1563}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 41   and name HG2 ))
      4.600     2.600     1.400 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.72053E-03 ppm1      8.511 ppm2      2.598 CV     1
 ASSI { 1564}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.86072E-03 ppm1      8.516 ppm2      2.423 CV     1
 ASSI { 1565}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 41   and name HB3 ))
      3.700     1.700     1.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.11821E-02 ppm1      8.515 ppm2      2.193 CV     1
 ASSI { 1566}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 40   and name HB3 ))
      3.600     1.600     1.600 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      8.518 ppm2      1.992 CV     1
 OR { 1566}
   (( segid "B   " and resid 41   and name H   ))
   (( segid "B   " and resid 40   and name HG2 ))
 ASSI { 1567}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.98970E-03 ppm1      7.600 ppm2      5.509 CV     1
 ASSI { 1569}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.25474E-02 ppm1      7.614 ppm2      4.371 CV     1
 ASSI { 1570}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.15940E-02 ppm1      7.603 ppm2      3.866 CV     1
 ASSI { 1574}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 43   and name HD3 ))
      2.700     0.900     0.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      7.606 ppm2      3.227 CV     1
 ASSI { 1575}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 81   and name HB2 ))
      3.000     1.100     1.100 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1      7.615 ppm2      3.157 CV     1
 ASSI { 1577}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.67601E-03 ppm1      7.597 ppm2      2.437 CV     1
 ASSI { 1580}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      7.598 ppm2      2.065 CV     1
 ASSI { 1582}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HB3 ))
      3.800     1.800     1.800 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.85358E-03 ppm1      7.598 ppm2      1.926 CV     1
 ASSI { 1583}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HG  ))
      3.700     1.700     1.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.81878E-03 ppm1      7.604 ppm2      1.542 CV     1
 ASSI { 1584}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 37   and name HB3 ))
      4.000     2.000     2.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      7.612 ppm2      1.172 CV     1
 ASSI { 1586}
   (( segid "B   " and resid 81   and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.400     1.400     1.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.66677E-03 ppm1      7.616 ppm2      0.983 CV     1
 ASSI { 1588}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HD23))
      4.700     2.700     1.300 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.81161E-03 ppm1      7.600 ppm2      0.683 CV     1
 OR { 1588}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HD21))
 OR { 1588}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 42   and name HD22))
 ASSI { 1591}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 80   and name H   ))
      2.700     0.900     0.900 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.19415E-02 ppm1      7.613 ppm2      8.238 CV     1
 ASSI { 1592}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 82   and name H   ))
      2.800     1.000     1.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.16611E-02 ppm1      7.614 ppm2      7.935 CV     1
 ASSI { 1593}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 45   and name H   ))
      2.900     1.000     1.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.17992E-02 ppm1      9.963 ppm2      8.050 CV     1
 ASSI { 1595}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.64120E-03 ppm1      9.965 ppm2      4.382 CV     1
 ASSI { 1596}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 44   and name HA  ))
      2.900     1.100     1.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.22332E-02 ppm1      9.962 ppm2      4.289 CV     1
 ASSI { 1597}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 44   and name HB3 ))
      3.200     1.300     1.300 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.15168E-02 ppm1      9.965 ppm2      3.674 CV     1
 OR { 1597}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 44   and name HB2 ))
 ASSI { 1598}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HD3 ))
      4.700     2.800     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.69134E-03 ppm1      9.965 ppm2      3.222 CV     1
 ASSI { 1599}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HG2 ))
      3.800     1.800     1.800 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.68418E-03 ppm1      9.961 ppm2      2.143 CV     1
 ASSI { 1600}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HG3 ))
      4.400     2.400     1.600 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      9.963 ppm2      2.066 CV     1
 ASSI { 1602}
   (( segid "B   " and resid 45   and name H   ))
   (  segid "B   " and resid 45   and name HE% )
      4.000     2.000     2.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.58390E-03 ppm1      8.046 ppm2      7.144 CV     1
 ASSI { 1604}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.63607E-03 ppm1      8.049 ppm2      4.384 CV     1
 ASSI { 1605}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      8.047 ppm2      4.287 CV     1
 ASSI { 1606}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 44   and name HB2 ))
      3.700     1.700     1.700 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.65809E-03 ppm1      8.050 ppm2      3.676 CV     1
 OR { 1606}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 44   and name HB3 ))
 ASSI { 1607}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 45   and name HB2 ))
      2.900     1.000     1.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.13070E-02 ppm1      8.048 ppm2      3.411 CV     1
 ASSI { 1608}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 45   and name HB3 ))
      3.500     1.500     1.500 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.15511E-02 ppm1      8.046 ppm2      3.109 CV     1
 ASSI { 1609}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 42   and name HB2 ))
      4.400     2.400     1.600 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.68673E-03 ppm1      8.047 ppm2      2.060 CV     1
 ASSI { 1613}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.20991E-02 ppm1      7.323 ppm2      4.741 CV     1
 ASSI { 1618}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HG  ))
      2.500     0.800     0.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.30770E-02 ppm1      7.323 ppm2      1.988 CV     1
 ASSI { 1619}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.32658E-02 ppm1      7.324 ppm2      1.835 CV     1
 ASSI { 1620}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HB3 ))
      3.400     1.400     1.400 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.25003E-02 ppm1      7.323 ppm2      1.715 CV     1
 ASSI { 1621}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD13))
      4.100     2.100     1.900 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.16109E-02 ppm1      7.322 ppm2      1.063 CV     1
 OR { 1621}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD12))
 OR { 1621}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD11))
 ASSI { 1622}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD22))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17650E-02 ppm1      7.324 ppm2      0.958 CV     1
 OR { 1622}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD23))
 OR { 1622}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 46   and name HD21))
 ASSI { 1623}
   (( segid "B   " and resid 46   and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      5.300     3.500     0.700 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.56904E-03 ppm1      7.319 ppm2      0.772 CV     1
 ASSI { 1625}
   (( segid "B   " and resid 46   and name H   ))
   (( segid "B   " and resid 45   and name H   ))
      2.500     0.800     0.800 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.36322E-02 ppm1      7.323 ppm2      8.049 CV     1
 ASSI { 1626}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name H   ))
      2.600     0.800     0.800 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.14610E-02 ppm1      8.254 ppm2      7.316 CV     1
 ASSI { 1628}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "C   " and resid 1928  and name HA  ))
      3.800     1.800     1.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.11724E-02 ppm1      8.257 ppm2      5.312 CV     1
 ASSI { 1629}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HA  ))
      2.300     2.300     3.700 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.61867E-02 ppm1      8.254 ppm2      4.740 CV     1
 ASSI { 1630}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.700     2.700     3.300 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.71388E-03 ppm1      8.257 ppm2      4.414 CV     1
 ASSI { 1633}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HG  ))
      4.400     2.400     1.600 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.89401E-03 ppm1      8.255 ppm2      1.984 CV     1
 ASSI { 1634}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HB2 ))
      3.300     1.300     1.300 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.11509E-02 ppm1      8.253 ppm2      1.837 CV     1
 ASSI { 1635}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HB3 ))
      3.900     1.900     1.900 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.13049E-02 ppm1      8.252 ppm2      1.714 CV     1
 ASSI { 1636}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD13))
      4.500     2.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      8.256 ppm2      1.050 CV     1
 OR { 1636}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD12))
 OR { 1636}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD11))
 ASSI { 1637}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD22))
      3.800     1.800     1.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.19389E-02 ppm1      8.255 ppm2      0.957 CV     1
 OR { 1637}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD21))
 OR { 1637}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "B   " and resid 46   and name HD23))
 ASSI { 1638}
   (( segid "B   " and resid 47   and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.600     2.600     3.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.10889E-02 ppm1      8.253 ppm2      0.876 CV     1
 ASSI { 1639}
   (( segid "B   " and resid 47   and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      4.000     2.000     2.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      8.254 ppm2      0.780 CV     1
 ASSI { 1641}
   (( segid "B   " and resid 47   and name H   ))
   (( segid "C   " and resid 1929  and name H   ))
      3.300     1.400     1.400 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.87760E-03 ppm1      8.253 ppm2      8.583 CV     1
 ASSI { 1642}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      8.290 ppm2      1.930 CV     1
 ASSI { 1645}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.41568E-02 ppm1      8.219 ppm2      4.516 CV     1
 ASSI { 1646}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.51890E-02 ppm1      8.219 ppm2      4.287 CV     1
 ASSI { 1647}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 47   and name HA2 ))
      2.800     2.800     3.200 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.63149E-03 ppm1      8.217 ppm2      4.150 CV     1
 ASSI { 1648}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 47   and name HA3 ))
      2.800     2.800     3.200 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.70261E-03 ppm1      8.216 ppm2      3.743 CV     1
 ASSI { 1650}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.25356E-02 ppm1      8.218 ppm2      1.884 CV     1
 ASSI { 1652}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 49   and name HG3 ))
      4.000     2.000     2.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.15910E-02 ppm1      8.218 ppm2      1.651 CV     1
 ASSI { 1654}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 48   and name HG3 ))
      4.100     2.200     1.900 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      8.215 ppm2      1.517 CV     1
 OR { 1654}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 48   and name HG2 ))
 ASSI { 1655}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 50   and name HG21))
      4.000     2.000     2.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.70875E-03 ppm1      8.216 ppm2      1.025 CV     1
 OR { 1655}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 50   and name HG23))
 OR { 1655}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 50   and name HG22))
 ASSI { 1659}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 49   and name HA  ))
      2.000     0.500     0.500 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.95641E-02 ppm1      7.996 ppm2      4.515 CV     1
 ASSI { 1660}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 50   and name HB  ))
      2.900     1.100     1.100 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.24103E-02 ppm1      7.997 ppm2      4.350 CV     1
 ASSI { 1661}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 50   and name HA  ))
      2.300     0.700     0.700 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.34049E-02 ppm1      7.996 ppm2      4.226 CV     1
 ASSI { 1662}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 49   and name HB2 ))
      4.400     2.400     1.600 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.99377E-03 ppm1      7.995 ppm2      1.881 CV     1
 ASSI { 1663}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 49   and name HB3 ))
      4.000     2.000     2.000 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.83260E-03 ppm1      7.998 ppm2      1.751 CV     1
 ASSI { 1664}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 49   and name HG2 ))
      4.900     3.000     1.100 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.65347E-03 ppm1      7.996 ppm2      1.583 CV     1
 ASSI { 1666}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 50   and name HG23))
      2.800     1.000     1.000 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.28713E-02 ppm1      7.996 ppm2      1.025 CV     1
 OR { 1666}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 50   and name HG21))
 OR { 1666}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 50   and name HG22))
 ASSI { 1668}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 49   and name H   ))
      3.800     1.800     1.800 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.12097E-02 ppm1      7.995 ppm2      8.227 CV     1
 ASSI { 1669}
   (( segid "B   " and resid 51   and name H   ))
   (  segid "B   " and resid 55   and name HE% )
      4.800     2.900     1.200 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.67343E-03 ppm1      7.966 ppm2      7.258 CV     1
 ASSI { 1670}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.50589E-02 ppm1      7.967 ppm2      4.781 CV     1
 ASSI { 1671}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 49   and name HA  ))
      2.500     2.500     3.500 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      7.965 ppm2      4.517 CV     1
 ASSI { 1672}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 50   and name HB  ))
      3.300     1.400     1.400 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.15378E-02 ppm1      7.965 ppm2      4.351 CV     1
 ASSI { 1673}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 50   and name HA  ))
      1.900     0.400     0.400 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10271E-01 ppm1      7.967 ppm2      4.226 CV     1
 ASSI { 1675}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.26421E-02 ppm1      7.966 ppm2      3.049 CV     1
 ASSI { 1677}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
      2.300     0.700     0.700 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.53066E-02 ppm1      7.967 ppm2      1.322 CV     1
 OR { 1677}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 54   and name HB1 ))
 OR { 1677}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 1678}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 50   and name HG21))
      3.800     1.800     1.800 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.25500E-02 ppm1      7.965 ppm2      1.027 CV     1
 OR { 1678}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 50   and name HG22))
 OR { 1678}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 50   and name HG23))
 ASSI { 1680}
   (( segid "B   " and resid 51   and name H   ))
   (( segid "B   " and resid 52   and name H   ))
      4.300     2.300     1.700 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      7.967 ppm2      8.632 CV     1
 ASSI { 1684}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 51   and name HA  ))
      2.400     0.700     0.700 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.69955E-02 ppm1      8.633 ppm2      4.781 CV     1
 ASSI { 1685}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      8.633 ppm2      4.276 CV     1
 ASSI { 1686}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 51   and name HB2 ))
      3.400     1.500     1.500 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.32399E-02 ppm1      8.634 ppm2      3.050 CV     1
 ASSI { 1687}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 51   and name HB3 ))
      2.400     0.700     0.700 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.26810E-02 ppm1      8.634 ppm2      2.857 CV     1
 ASSI { 1689}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.42075E-02 ppm1      8.633 ppm2      2.161 CV     1
 OR { 1689}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 52   and name HB3 ))
 ASSI { 1693}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 51   and name HA  ))
      4.400     2.400     1.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      8.343 ppm2      4.782 CV     1
 ASSI { 1695}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 54   and name HA  ))
      4.800     2.900     1.200 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.56701E-03 ppm1      8.349 ppm2      4.120 CV     1
 ASSI { 1696}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 51   and name HB2 ))
      3.700     1.700     1.700 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.12880E-02 ppm1      8.345 ppm2      3.051 CV     1
 ASSI { 1697}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 51   and name HB3 ))
      3.500     1.600     1.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      8.348 ppm2      2.845 CV     1
 ASSI { 1699}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 52   and name HB3 ))
      2.700     0.900     0.900 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.31026E-02 ppm1      8.345 ppm2      2.144 CV     1
 ASSI { 1700}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 53   and name HB2 ))
      2.200     0.600     0.600 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.14431E-01 ppm1      8.346 ppm2      1.528 CV     1
 OR { 1700}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 1700}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 53   and name HB3 ))
 ASSI { 1701}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 54   and name HB1 ))
      4.100     2.100     1.900 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      8.345 ppm2      1.321 CV     1
 OR { 1701}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 1701}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 1703}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 52   and name H   ))
      2.700     0.900     0.900 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.26451E-02 ppm1      8.345 ppm2      8.634 CV     1
 ASSI { 1704}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.36716E-02 ppm1      8.347 ppm2      4.268 CV     1
 ASSI { 1705}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 51   and name HA  ))
      4.500     2.500     1.500 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.62022E-03 ppm1      8.000 ppm2      4.782 CV     1
 ASSI { 1708}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 55   and name HB2 ))
      4.600     2.700     1.400 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.90731E-03 ppm1      7.999 ppm2      3.072 CV     1
 OR { 1708}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 55   and name HB3 ))
 ASSI { 1709}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 51   and name HB3 ))
      4.100     2.100     1.900 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      8.001 ppm2      2.857 CV     1
 ASSI { 1711}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 54   and name HB1 ))
      2.200     0.600     0.600 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.10352E-01 ppm1      8.000 ppm2      1.322 CV     1
 OR { 1711}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 1711}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 1712}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 53   and name H   ))
      2.400     0.700     0.700 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.53782E-02 ppm1      8.000 ppm2      8.349 CV     1
 ASSI { 1717}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 56   and name HB3 ))
      4.700     2.700     1.300 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.81775E-03 ppm1      7.985 ppm2      2.276 CV     1
 OR { 1717}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 1718}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 53   and name HB3 ))
      4.500     2.500     1.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.86123E-03 ppm1      7.989 ppm2      1.527 CV     1
 OR { 1718}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 53   and name HB2 ))
 OR { 1718}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 53   and name HB1 ))
 ASSI { 1720}
   (( segid "B   " and resid 55   and name H   ))
   (( segid "B   " and resid 56   and name H   ))
      2.400     0.700     0.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.33933E-02 ppm1      7.983 ppm2      8.369 CV     1
 ASSI { 1722}
   (( segid "B   " and resid 56   and name H   ))
   (  segid "B   " and resid 55   and name HD% )
      4.200     2.200     1.800 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.85307E-03 ppm1      8.372 ppm2      7.169 CV     1
 ASSI { 1723}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      8.370 ppm2      4.240 CV     1
 ASSI { 1724}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 56   and name HA  ))
      2.600     0.900     0.900 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.36399E-02 ppm1      8.370 ppm2      4.028 CV     1
 ASSI { 1725}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 55   and name HB3 ))
      3.100     1.200     1.200 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.17900E-02 ppm1      8.371 ppm2      3.078 CV     1
 OR { 1725}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 55   and name HB2 ))
 ASSI { 1727}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 56   and name HB3 ))
      2.400     0.700     0.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.63659E-02 ppm1      8.371 ppm2      2.273 CV     1
 OR { 1727}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 1728}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name HB2 ))
      4.500     2.500     1.500 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.84690E-03 ppm1      8.369 ppm2      1.954 CV     1
 ASSI { 1732}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
      2.700     2.700     3.300 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.77529E-03 ppm1      8.372 ppm2      1.317 CV     1
 OR { 1732}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 54   and name HB1 ))
 OR { 1732}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 1736}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 57   and name HA  ))
      2.600     0.900     0.900 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.39822E-02 ppm1      7.978 ppm2      4.089 CV     1
 ASSI { 1738}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 56   and name HG3 ))
      2.900     1.000     1.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      7.976 ppm2      2.511 CV     1
 OR { 1738}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 56   and name HG2 ))
 ASSI { 1740}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.42101E-02 ppm1      7.978 ppm2      1.930 CV     1
 OR { 1740}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 57   and name HB3 ))
 ASSI { 1744}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
      2.800     2.800     3.200 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.71181E-03 ppm1      7.976 ppm2      1.324 CV     1
 OR { 1744}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 OR { 1744}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 54   and name HB1 ))
 ASSI { 1745}
   (( segid "B   " and resid 57   and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      4.700     2.700     1.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      7.976 ppm2      0.864 CV     1
 ASSI { 1747}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 56   and name H   ))
      2.600     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.30468E-02 ppm1      7.978 ppm2      8.370 CV     1
 ASSI { 1750}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 59   and name HB2 ))
      3.800     1.900     1.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.64479E-03 ppm1      8.000 ppm2      2.268 CV     1
 ASSI { 1752}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HB2 ))
      2.400     0.700     0.700 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.21058E-02 ppm1      8.000 ppm2      1.504 CV     1
 ASSI { 1753}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HG  ))
      4.200     2.200     1.800 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.10178E-02 ppm1      7.992 ppm2      1.418 CV     1
 ASSI { 1755}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HD21))
      4.200     2.200     1.800 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.14968E-02 ppm1      8.000 ppm2      0.844 CV     1
 OR { 1755}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HD23))
 OR { 1755}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HD22))
 ASSI { 1757}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 56   and name H   ))
      4.000     2.000     2.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.61612E-03 ppm1      8.000 ppm2      8.367 CV     1
 ASSI { 1758}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 59   and name H   ))
      2.700     0.900     0.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.18417E-02 ppm1      7.998 ppm2      8.263 CV     1
 ASSI { 1762}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 60   and name HA  ))
      4.700     2.700     1.300 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.67804E-03 ppm1      8.264 ppm2      4.308 CV     1
 ASSI { 1764}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.26717E-02 ppm1      8.264 ppm2      3.923 CV     1
 ASSI { 1765}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 59   and name HG2 ))
      4.500     2.500     1.500 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.96206E-03 ppm1      8.264 ppm2      2.601 CV     1
 ASSI { 1767}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.26738E-02 ppm1      8.264 ppm2      2.258 CV     1
 ASSI { 1768}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 59   and name HB3 ))
      2.300     0.700     0.700 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.39157E-02 ppm1      8.264 ppm2      1.907 CV     1
 ASSI { 1770}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HG  ))
      3.800     1.800     1.800 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.69134E-03 ppm1      8.265 ppm2      1.422 CV     1
 ASSI { 1773}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 61   and name H   ))
      2.600     0.800     0.800 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.26400E-02 ppm1      8.051 ppm2      7.720 CV     1
 ASSI { 1775}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.51429E-02 ppm1      8.050 ppm2      4.307 CV     1
 ASSI { 1777}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      8.051 ppm2      3.923 CV     1
 ASSI { 1780}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 59   and name HB2 ))
      3.400     1.400     1.400 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.23223E-02 ppm1      8.051 ppm2      2.261 CV     1
 ASSI { 1781}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.19497E-02 ppm1      8.051 ppm2      1.899 CV     1
 ASSI { 1784}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 59   and name H   ))
      2.700     0.900     0.900 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.25571E-02 ppm1      8.049 ppm2      8.266 CV     1
 ASSI { 1785}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 61   and name HD21))
      4.500     2.500     1.500 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.75634E-03 ppm1      7.716 ppm2      7.121 CV     1
 ASSI { 1786}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 61   and name HD22))
      4.800     2.900     1.200 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.72818E-03 ppm1      7.717 ppm2      6.889 CV     1
 ASSI { 1787}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.37704E-02 ppm1      7.720 ppm2      4.555 CV     1
 ASSI { 1788}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 60   and name HA  ))
      3.200     1.200     1.200 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.15874E-02 ppm1      7.719 ppm2      4.305 CV     1
 ASSI { 1790}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.56239E-03 ppm1      7.721 ppm2      3.927 CV     1
 ASSI { 1791}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.24241E-02 ppm1      7.719 ppm2      2.866 CV     1
 ASSI { 1792}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 61   and name HB3 ))
      3.500     1.500     1.500 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.21462E-02 ppm1      7.718 ppm2      2.325 CV     1
 ASSI { 1793}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HG  ))
      4.800     2.800     1.200 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.70568E-03 ppm1      7.716 ppm2      1.811 CV     1
 ASSI { 1794}
   (( segid "B   " and resid 61   and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.500     2.600     1.500 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.72053E-03 ppm1      7.720 ppm2      1.009 CV     1
 ASSI { 1796}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD12))
      4.800     2.900     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.56494E-03 ppm1      7.716 ppm2      0.563 CV     1
 OR { 1796}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1796}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD13))
 ASSI { 1797}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD21))
      4.000     2.000     2.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.65554E-03 ppm1      7.721 ppm2      0.417 CV     1
 OR { 1797}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD23))
 OR { 1797}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name HD22))
 ASSI { 1799}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 62   and name H   ))
      2.400     0.700     0.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.34608E-02 ppm1      7.720 ppm2      8.006 CV     1
 ASSI { 1803}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.17665E-02 ppm1      8.001 ppm2      4.270 CV     1
 ASSI { 1805}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 59   and name HA  ))
      3.300     1.300     1.300 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.88170E-03 ppm1      8.002 ppm2      3.922 CV     1
 ASSI { 1806}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 61   and name HB2 ))
      3.600     1.600     1.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.84538E-03 ppm1      7.997 ppm2      2.880 CV     1
 ASSI { 1807}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 61   and name HB3 ))
      3.700     1.700     1.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.83618E-03 ppm1      7.999 ppm2      2.331 CV     1
 ASSI { 1808}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 62   and name HG  ))
      3.500     1.500     1.500 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.18504E-02 ppm1      8.000 ppm2      1.810 CV     1
 ASSI { 1809}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1      7.999 ppm2      1.677 CV     1
 ASSI { 1810}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 62   and name HB3 ))
      3.700     1.700     1.700 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      8.001 ppm2      1.377 CV     1
 ASSI { 1816}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 59   and name HA  ))
      3.900     1.900     1.900 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.68983E-03 ppm1      7.770 ppm2      3.931 CV     1
 ASSI { 1817}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 63   and name HB2 ))
      2.700     0.900     0.900 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.36051E-02 ppm1      7.768 ppm2      2.913 CV     1
 ASSI { 1818}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 63   and name HB3 ))
      2.700     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.33829E-02 ppm1      7.768 ppm2      2.414 CV     1
 ASSI { 1819}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name HG  ))
      4.400     2.400     1.600 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.89094E-03 ppm1      7.769 ppm2      1.809 CV     1
 ASSI { 1820}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name HB2 ))
      3.200     1.300     1.300 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.10393E-02 ppm1      7.769 ppm2      1.674 CV     1
 ASSI { 1823}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name HD12))
      4.500     2.500     1.500 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      7.765 ppm2      0.551 CV     1
 OR { 1823}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name HD11))
 OR { 1823}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name HD13))
 ASSI { 1825}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 62   and name H   ))
      2.400     0.700     0.700 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.32419E-02 ppm1      7.767 ppm2      8.001 CV     1
 ASSI { 1827}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 63   and name H   ))
      3.200     1.300     1.300 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      8.305 ppm2      7.766 CV     1
 ASSI { 1829}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.84590E-02 ppm1      8.303 ppm2      4.775 CV     1
 ASSI { 1830}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.57466E-02 ppm1      8.303 ppm2      4.323 CV     1
 ASSI { 1834}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 74   and name HG3 ))
      3.800     1.800     1.800 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      8.306 ppm2      2.609 CV     1
 ASSI { 1835}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 63   and name HB3 ))
      4.000     2.000     2.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      8.301 ppm2      2.414 CV     1
 ASSI { 1837}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 65   and name HD21))
      3.900     1.900     1.900 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      8.178 ppm2      7.827 CV     1
 ASSI { 1838}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 66   and name H   ))
      2.300     0.600     0.600 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.58645E-02 ppm1      8.176 ppm2      7.689 CV     1
 ASSI { 1839}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.44229E-02 ppm1      8.177 ppm2      4.878 CV     1
 ASSI { 1840}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.17517E-02 ppm1      8.178 ppm2      4.775 CV     1
 ASSI { 1841}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.23990E-02 ppm1      8.175 ppm2      4.323 CV     1
 ASSI { 1844}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.20863E-02 ppm1      8.179 ppm2      3.320 CV     1
 ASSI { 1845}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 65   and name HB3 ))
      3.300     1.400     1.400 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.25269E-02 ppm1      8.175 ppm2      2.899 CV     1
 ASSI { 1847}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 67   and name H   ))
      4.000     2.000     2.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      8.180 ppm2      8.733 CV     1
 ASSI { 1848}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 64   and name H   ))
      2.600     0.800     0.800 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.37158E-02 ppm1      8.177 ppm2      8.305 CV     1
 ASSI { 1849}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 66   and name HG3 ))
      4.500     2.600     1.500 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.83260E-03 ppm1      8.178 ppm2      1.632 CV     1
 OR { 1849}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 66   and name HG2 ))
 ASSI { 1850}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      7.688 ppm2      4.876 CV     1
 ASSI { 1852}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HA  ))
      2.100     0.500     0.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.94056E-02 ppm1      7.688 ppm2      4.152 CV     1
 ASSI { 1853}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HD3 ))
      3.900     1.900     1.900 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.15869E-02 ppm1      7.688 ppm2      3.304 CV     1
 OR { 1853}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HD2 ))
 ASSI { 1855}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HB2 ))
      3.400     1.400     1.400 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.23596E-02 ppm1      7.689 ppm2      2.049 CV     1
 OR { 1855}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HB3 ))
 ASSI { 1856}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HG3 ))
      2.700     0.900     0.900 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.40745E-02 ppm1      7.689 ppm2      1.634 CV     1
 OR { 1856}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 66   and name HG2 ))
 ASSI { 1857}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 67   and name H   ))
      2.900     1.000     1.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.30274E-02 ppm1      7.688 ppm2      8.736 CV     1
 ASSI { 1858}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 64   and name H   ))
      4.300     2.300     1.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.97433E-03 ppm1      7.685 ppm2      8.303 CV     1
 ASSI { 1864}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 67   and name HA  ))
      2.800     0.900     0.900 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.37494E-02 ppm1      8.734 ppm2      4.820 CV     1
 ASSI { 1866}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.57059E-03 ppm1      8.734 ppm2      3.305 CV     1
 ASSI { 1867}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1      8.733 ppm2      3.189 CV     1
 ASSI { 1868}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 67   and name HB3 ))
      3.200     1.300     1.300 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.19303E-02 ppm1      8.736 ppm2      2.425 CV     1
 ASSI { 1869}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 66   and name HB3 ))
      4.000     2.000     2.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.10654E-02 ppm1      8.730 ppm2      2.047 CV     1
 OR { 1869}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 66   and name HB2 ))
 ASSI { 1870}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 66   and name HG2 ))
      2.600     2.600     3.400 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.12307E-02 ppm1      8.734 ppm2      1.637 CV     1
 OR { 1870}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 66   and name HG3 ))
 ASSI { 1871}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.29901E-02 ppm1      7.818 ppm2      4.868 CV     1
 ASSI { 1872}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.59361E-02 ppm1      7.817 ppm2      4.152 CV     1
 ASSI { 1874}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 68   and name HB3 ))
      3.800     1.800     1.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.13909E-02 ppm1      7.817 ppm2      3.130 CV     1
 ASSI { 1876}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 69   and name HG2 ))
      2.700     0.900     0.900 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.36629E-02 ppm1      7.817 ppm2      2.159 CV     1
 ASSI { 1878}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 28   and name HD2 ))
      4.600     2.600     1.400 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.55626E-03 ppm1      7.811 ppm2      1.712 CV     1
 ASSI { 1879}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.24446E-02 ppm1      7.817 ppm2      1.485 CV     1
 ASSI { 1881}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 67   and name H   ))
      3.100     1.200     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.26641E-02 ppm1      7.817 ppm2      8.735 CV     1
 ASSI { 1882}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 29   and name H   ))
      3.200     1.300     1.300 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.71743E-03 ppm1     10.037 ppm2      9.664 CV     1
 ASSI { 1885}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.70875E-03 ppm1     10.037 ppm2      4.796 CV     1
 ASSI { 1886}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 70   and name HB  ))
      2.700     0.900     0.900 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1     10.040 ppm2      2.246 CV     1
 ASSI { 1888}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 59   and name HE3 ))
      3.200     1.300     1.300 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.17532E-02 ppm1     10.039 ppm2      1.969 CV     1
 OR { 1888}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 1888}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 59   and name HE2 ))
 ASSI { 1889}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 69   and name HB2 ))
      3.600     1.700     1.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.73228E-03 ppm1     10.043 ppm2      1.491 CV     1
 ASSI { 1893}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.35208E-02 ppm1      9.362 ppm2      5.299 CV     1
 ASSI { 1894}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.62125E-03 ppm1      9.362 ppm2      5.191 CV     1
 ASSI { 1895}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 74   and name HG3 ))
      4.100     2.100     1.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.15204E-02 ppm1      9.364 ppm2      2.604 CV     1
 ASSI { 1896}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.82030E-03 ppm1      9.363 ppm2      2.129 CV     1
 ASSI { 1899}
   (( segid "B   " and resid 72   and name H   ))
   (( segid "B   " and resid 73   and name H   ))
      3.500     1.500     1.500 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      8.968 ppm2      8.270 CV     1
 ASSI { 1900}
   (( segid "B   " and resid 72   and name H   ))
   (  segid "B   " and resid 27   and name HD% )
      2.700     2.700     3.300 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.86175E-03 ppm1      8.974 ppm2      7.488 CV     1
 ASSI { 1902}
   (( segid "B   " and resid 72   and name H   ))
   (  segid "B   " and resid 72   and name HD% )
      4.500     2.600     1.500 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.12000E-02 ppm1      8.977 ppm2      6.213 CV     1
 ASSI { 1905}
   (( segid "B   " and resid 72   and name H   ))
   (( segid "B   " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      8.977 ppm2      3.202 CV     1
 ASSI { 1906}
   (( segid "B   " and resid 72   and name H   ))
   (( segid "B   " and resid 72   and name HB2 ))
      2.600     0.800     0.800 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.20648E-02 ppm1      8.973 ppm2      2.739 CV     1
 ASSI { 1907}
   (( segid "B   " and resid 72   and name H   ))
   (( segid "B   " and resid 72   and name HB3 ))
      3.700     1.700     1.700 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      8.973 ppm2      2.475 CV     1
 ASSI { 1910}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 73   and name H   ))
      2.700     0.900     0.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      8.892 ppm2      8.272 CV     1
 ASSI { 1911}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      8.895 ppm2      4.006 CV     1
 ASSI { 1912}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 74   and name HG2 ))
      4.400     2.400     1.600 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.13893E-02 ppm1      8.895 ppm2      2.922 CV     1
 ASSI { 1913}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 74   and name HG3 ))
      4.000     2.000     2.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.21078E-02 ppm1      8.897 ppm2      2.605 CV     1
 ASSI { 1914}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 73   and name HG2 ))
      3.800     1.800     1.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.89297E-03 ppm1      8.892 ppm2      2.418 CV     1
 ASSI { 1917}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 74   and name HB3 ))
      3.900     1.900     1.900 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.79779E-03 ppm1      8.897 ppm2      2.130 CV     1
 ASSI { 1919}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 71   and name H   ))
      4.400     2.400     1.600 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.59413E-03 ppm1      8.902 ppm2      9.373 CV     1
 ASSI { 1920}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 76   and name H   ))
      2.800     0.900     0.900 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      8.747 ppm2      8.331 CV     1
 ASSI { 1921}
   (( segid "B   " and resid 75   and name H   ))
   (  segid "B   " and resid 75   and name HD% )
      4.500     2.500     1.500 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.81161E-03 ppm1      8.744 ppm2      6.898 CV     1
 ASSI { 1924}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.98305E-03 ppm1      8.745 ppm2      3.309 CV     1
 ASSI { 1925}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      8.750 ppm2      3.202 CV     1
 ASSI { 1928}
   (( segid "B   " and resid 75   and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      5.100     3.300     0.900 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.62432E-03 ppm1      8.747 ppm2      2.023 CV     1
 ASSI { 1930}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 74   and name H   ))
      2.900     1.000     1.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      8.746 ppm2      8.900 CV     1
 ASSI { 1931}
   (( segid "B   " and resid 76   and name H   ))
   (  segid "B   " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.57673E-03 ppm1      8.333 ppm2      6.911 CV     1
 ASSI { 1933}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.81313E-03 ppm1      8.327 ppm2      4.307 CV     1
 ASSI { 1934}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 73   and name HA  ))
      3.200     1.200     1.200 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.11611E-02 ppm1      8.332 ppm2      3.961 CV     1
 ASSI { 1937}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 75   and name HB2 ))
      4.300     2.400     1.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.72512E-03 ppm1      8.332 ppm2      3.302 CV     1
 ASSI { 1938}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      8.328 ppm2      3.104 CV     1
 ASSI { 1939}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 75   and name HB3 ))
      3.300     1.400     1.400 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.62890E-03 ppm1      8.329 ppm2      2.996 CV     1
 ASSI { 1940}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 76   and name HB3 ))
      3.600     1.600     1.600 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      8.328 ppm2      2.597 CV     1
 ASSI { 1943}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 77   and name HG11))
      4.100     2.100     1.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.66626E-03 ppm1      8.327 ppm2      1.167 CV     1
 OR { 1943}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1943}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 77   and name HG13))
 ASSI { 1945}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 78   and name H   ))
      2.500     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      8.377 ppm2      7.669 CV     1
 ASSI { 1948}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.69031E-03 ppm1      8.384 ppm2      4.011 CV     1
 ASSI { 1949}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.59668E-03 ppm1      8.376 ppm2      3.942 CV     1
 ASSI { 1950}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.64375E-03 ppm1      8.379 ppm2      3.574 CV     1
 ASSI { 1951}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.19727E-02 ppm1      8.381 ppm2      3.421 CV     1
 ASSI { 1952}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.900     1.100     1.100 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.68163E-03 ppm1      8.380 ppm2      3.099 CV     1
 ASSI { 1953}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 76   and name HB3 ))
      3.900     1.900     1.900 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.69341E-03 ppm1      8.380 ppm2      2.600 CV     1
 ASSI { 1954}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "B   " and resid 77   and name HB  ))
      2.300     0.700     0.700 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.26124E-02 ppm1      8.377 ppm2      2.293 CV     1
 ASSI { 1955}
   (( segid "B   " and resid 77   and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      2.800     1.000     1.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.91396E-03 ppm1      8.378 ppm2      2.014 CV     1
 OR { 1955}
   (( segid "B   " and resid 77   and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI { 1962}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 78   and name HA  ))
      2.800     0.900     0.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      7.667 ppm2      4.327 CV     1
 ASSI { 1963}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      7.670 ppm2      3.406 CV     1
 ASSI { 1964}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 78   and name HB3 ))
      2.300     0.700     0.700 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.19149E-02 ppm1      7.666 ppm2      3.234 CV     1
 ASSI { 1965}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 77   and name HB  ))
      3.400     1.500     1.500 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.12650E-02 ppm1      7.667 ppm2      2.296 CV     1
 ASSI { 1970}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 79   and name H   ))
      2.600     0.800     0.800 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.18233E-02 ppm1      7.673 ppm2      8.576 CV     1
 ASSI { 1971}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 80   and name H   ))
      2.700     0.900     0.900 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.15137E-02 ppm1      8.574 ppm2      8.243 CV     1
 ASSI { 1973}
   (( segid "B   " and resid 79   and name H   ))
   (  segid "B   " and resid 78   and name HD% )
      2.800     1.000     1.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.13586E-02 ppm1      8.579 ppm2      7.006 CV     1
 ASSI { 1975}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.13177E-02 ppm1      8.580 ppm2      3.555 CV     1
 ASSI { 1976}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.24138E-02 ppm1      8.578 ppm2      3.276 CV     1
 ASSI { 1977}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.14912E-02 ppm1      8.577 ppm2      1.429 CV     1
 ASSI { 1978}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HG  ))
      2.800     1.000     1.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.24021E-02 ppm1      8.577 ppm2      1.216 CV     1
 ASSI { 1979}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HB3 ))
      3.400     1.400     1.400 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.22143E-02 ppm1      8.572 ppm2      1.009 CV     1
 ASSI { 1980}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HD13))
      3.300     1.400     1.400 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.26676E-02 ppm1      8.578 ppm2      0.464 CV     1
 OR { 1980}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 1980}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 1980}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 1980}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 79   and name HD23))
 ASSI { 1982}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.19333E-02 ppm1      8.240 ppm2      4.308 CV     1
 ASSI { 1983}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.23780E-02 ppm1      8.242 ppm2      3.880 CV     1
 ASSI { 1985}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 80   and name HB3 ))
      2.600     0.900     0.900 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.28662E-02 ppm1      8.240 ppm2      3.418 CV     1
 ASSI { 1986}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.39383E-02 ppm1      8.240 ppm2      3.268 CV     1
 ASSI { 1989}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 79   and name HB2 ))
      3.000     1.100     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.88836E-03 ppm1      8.237 ppm2      1.432 CV     1
 ASSI { 1994}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 81   and name HA  ))
      4.100     2.100     1.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.96872E-03 ppm1      8.240 ppm2      4.355 CV     1
 ASSI { 1998}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 81   and name HA  ))
      3.300     1.400     1.400 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.82440E-03 ppm1      7.933 ppm2      4.369 CV     1
 ASSI { 2000}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.16457E-02 ppm1      7.934 ppm2      3.688 CV     1
 ASSI { 2001}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      7.933 ppm2      3.283 CV     1
 ASSI { 2002}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.79624E-03 ppm1      7.931 ppm2      3.154 CV     1
 ASSI { 2003}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 82   and name HB  ))
      2.400     0.700     0.700 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.37090E-02 ppm1      7.937 ppm2      1.653 CV     1
 ASSI { 2007}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 82   and name HG13))
      3.100     1.200     1.200 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.19062E-02 ppm1      7.933 ppm2      0.467 CV     1
 ASSI { 2011}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 83   and name H   ))
      2.700     0.900     0.900 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.17670E-02 ppm1      7.936 ppm2      8.822 CV     1
 ASSI { 2013}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 84   and name H   ))
      2.900     1.000     1.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.14262E-02 ppm1      8.824 ppm2      8.700 CV     1
 ASSI { 2015}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      8.827 ppm2      4.377 CV     1
 ASSI { 2016}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.24128E-02 ppm1      8.825 ppm2      3.948 CV     1
 ASSI { 2017}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      8.827 ppm2      3.880 CV     1
 ASSI { 2018}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      8.820 ppm2      3.683 CV     1
 ASSI { 2021}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 82   and name HB  ))
      2.500     0.800     0.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.19738E-02 ppm1      8.826 ppm2      1.642 CV     1
 ASSI { 2025}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 82   and name HG12))
      4.200     2.200     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.66832E-03 ppm1      8.824 ppm2      0.549 CV     1
 ASSI { 2026}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 82   and name HG13))
      3.900     1.900     1.900 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.93136E-03 ppm1      8.825 ppm2      0.466 CV     1
 ASSI { 2029}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 85   and name H   ))
      2.800     1.000     1.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      8.696 ppm2      8.082 CV     1
 ASSI { 2030}
   (( segid "B   " and resid 84   and name H   ))
   (  segid "A   " and resid 72   and name HE% )
      4.000     2.000     2.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.80086E-03 ppm1      8.698 ppm2      6.999 CV     1
 ASSI { 2031}
   (( segid "B   " and resid 84   and name H   ))
   (  segid "A   " and resid 72   and name HD% )
      4.800     2.900     1.200 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.63455E-03 ppm1      8.704 ppm2      6.166 CV     1
 ASSI { 2032}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.12179E-02 ppm1      8.700 ppm2      4.376 CV     1
 ASSI { 2033}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.10598E-02 ppm1      8.699 ppm2      4.094 CV     1
 ASSI { 2034}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 83   and name HA  ))
      3.900     1.900     1.900 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.71950E-03 ppm1      8.701 ppm2      3.945 CV     1
 ASSI { 2036}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 84   and name HG3 ))
      4.400     2.400     1.600 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.95490E-03 ppm1      8.699 ppm2      2.834 CV     1
 ASSI { 2038}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 84   and name HE1 ))
      4.300     2.300     1.700 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.72973E-03 ppm1      8.703 ppm2      2.139 CV     1
 OR { 2038}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 84   and name HE2 ))
 OR { 2038}
   (( segid "B   " and resid 84   and name H   ))
   (( segid "B   " and resid 84   and name HE3 ))
 ASSI { 2041}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.28580E-02 ppm1      8.080 ppm2      4.261 CV     1
 ASSI { 2042}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 82   and name HA  ))
      3.400     1.400     1.400 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      8.080 ppm2      3.688 CV     1
 ASSI { 2043}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 85   and name HG2 ))
      3.900     1.900     1.900 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.18612E-02 ppm1      8.081 ppm2      2.909 CV     1
 ASSI { 2044}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 85   and name HG3 ))
      4.100     2.100     1.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      8.081 ppm2      2.655 CV     1
 ASSI { 2045}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 85   and name HB2 ))
      2.300     0.700     0.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      8.081 ppm2      2.468 CV     1
 ASSI { 2046}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 85   and name HB3 ))
      2.800     1.000     1.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.16391E-02 ppm1      8.081 ppm2      2.310 CV     1
 ASSI { 2048}
   (( segid "B   " and resid 85   and name H   ))
   (( segid "B   " and resid 86   and name H   ))
      2.700     0.900     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      8.081 ppm2      8.351 CV     1
 ASSI { 2050}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.35137E-02 ppm1      8.351 ppm2      4.257 CV     1
 ASSI { 2051}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 83   and name HA  ))
      3.300     1.300     1.300 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      8.353 ppm2      3.946 CV     1
 ASSI { 2052}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.13080E-02 ppm1      8.349 ppm2      3.425 CV     1
 ASSI { 2053}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 86   and name HB3 ))
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      8.352 ppm2      3.081 CV     1
 ASSI { 2054}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 85   and name HB2 ))
      3.600     1.600     1.600 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.11064E-02 ppm1      8.352 ppm2      2.471 CV     1
 ASSI { 2055}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 85   and name HB3 ))
      3.000     1.200     1.200 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.86227E-03 ppm1      8.350 ppm2      2.313 CV     1
 ASSI { 2056}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 87   and name HB3 ))
      4.100     2.100     1.900 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.68673E-03 ppm1      8.350 ppm2      1.736 CV     1
 ASSI { 2058}
   (( segid "B   " and resid 86   and name H   ))
   (( segid "B   " and resid 87   and name H   ))
      2.800     1.000     1.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.15516E-02 ppm1      8.350 ppm2      8.610 CV     1
 ASSI { 2060}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 88   and name H   ))
      3.100     1.200     1.200 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.13888E-02 ppm1      8.606 ppm2      7.702 CV     1
 ASSI { 2061}
   (( segid "B   " and resid 87   and name H   ))
   (  segid "B   " and resid 89   and name HD% )
      4.300     2.300     1.700 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.58645E-03 ppm1      8.605 ppm2      7.262 CV     1
 ASSI { 2062}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "A   " and resid 72   and name HZ  ))
      3.700     1.700     1.700 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.76505E-03 ppm1      8.607 ppm2      6.931 CV     1
 ASSI { 2063}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 87   and name HA  ))
      2.600     0.900     0.900 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.33655E-02 ppm1      8.608 ppm2      4.258 CV     1
 ASSI { 2064}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.78142E-03 ppm1      8.608 ppm2      3.947 CV     1
 ASSI { 2066}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 86   and name HB3 ))
      3.300     1.400     1.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.88784E-03 ppm1      8.600 ppm2      3.072 CV     1
 ASSI { 2067}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 87   and name HB2 ))
      3.200     1.300     1.300 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      8.609 ppm2      2.360 CV     1
 ASSI { 2068}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 87   and name HB3 ))
      2.800     1.000     1.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      8.607 ppm2      1.743 CV     1
 ASSI { 2072}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 89   and name H   ))
      2.700     0.900     0.900 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.24712E-02 ppm1      7.703 ppm2      7.377 CV     1
 ASSI { 2073}
   (( segid "B   " and resid 88   and name H   ))
   (  segid "B   " and resid 89   and name HD% )
      4.200     2.200     1.800 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.59361E-03 ppm1      7.707 ppm2      7.259 CV     1
 ASSI { 2074}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 89   and name HA  ))
      4.800     2.800     1.200 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.56343E-03 ppm1      7.703 ppm2      4.451 CV     1
 ASSI { 2076}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 84   and name HA  ))
      2.900     2.900     3.100 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.54909E-03 ppm1      7.699 ppm2      4.105 CV     1
 ASSI { 2077}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.38256E-02 ppm1      7.704 ppm2      3.949 CV     1
 ASSI { 2079}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 87   and name HB2 ))
      4.000     2.000     2.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.90166E-03 ppm1      7.706 ppm2      2.357 CV     1
 ASSI { 2080}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 88   and name HB2 ))
      2.800     1.000     1.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.30684E-02 ppm1      7.703 ppm2      2.042 CV     1
 ASSI { 2081}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 88   and name HB3 ))
      3.400     1.400     1.400 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.26631E-02 ppm1      7.705 ppm2      1.894 CV     1
 ASSI { 2082}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.93288E-03 ppm1      7.703 ppm2      1.743 CV     1
 ASSI { 2084}
   (( segid "B   " and resid 89   and name H   ))
   (  segid "B   " and resid 89   and name HD% )
      2.900     1.000     1.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.19763E-02 ppm1      7.376 ppm2      7.263 CV     1
 ASSI { 2085}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.38550E-02 ppm1      7.375 ppm2      4.452 CV     1
 ASSI { 2087}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.16509E-02 ppm1      7.377 ppm2      3.949 CV     1
 ASSI { 2089}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 89   and name HB3 ))
      3.400     1.400     1.400 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.38798E-02 ppm1      7.375 ppm2      3.030 CV     1
 ASSI { 2090}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 88   and name HB2 ))
      3.100     1.200     1.200 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      7.373 ppm2      2.041 CV     1
 ASSI { 2091}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 88   and name HB3 ))
      3.800     1.800     1.800 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      7.374 ppm2      1.894 CV     1
 ASSI { 2092}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 101  and name HG2 ))
      3.600     1.600     1.600 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.89859E-03 ppm1      7.373 ppm2      1.362 CV     1
 OR { 2092}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 101  and name HG3 ))
 ASSI { 2094}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 90   and name H   ))
      2.500     0.800     0.800 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.37245E-02 ppm1      7.375 ppm2      7.736 CV     1
 ASSI { 2096}
   (( segid "B   " and resid 90   and name H   ))
   (  segid "B   " and resid 89   and name HD% )
      4.300     2.300     1.700 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.97688E-03 ppm1      7.747 ppm2      7.262 CV     1
 ASSI { 2097}
   (( segid "B   " and resid 90   and name H   ))
   (  segid "B   " and resid 90   and name HD% )
      3.900     1.900     1.900 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.20766E-02 ppm1      7.746 ppm2      6.933 CV     1
 ASSI { 2098}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 89   and name HA  ))
      3.400     1.400     1.400 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.22056E-02 ppm1      7.746 ppm2      4.452 CV     1
 ASSI { 2100}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.37352E-02 ppm1      7.746 ppm2      4.180 CV     1
 ASSI { 2101}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.15326E-02 ppm1      7.747 ppm2      3.265 CV     1
 ASSI { 2102}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 90   and name HB2 ))
      2.500     0.800     0.800 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.48329E-02 ppm1      7.746 ppm2      3.037 CV     1
 ASSI { 2103}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 90   and name HB3 ))
      2.400     0.700     0.700 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.34763E-02 ppm1      7.746 ppm2      2.943 CV     1
 ASSI { 2105}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 91   and name H   ))
      2.700     0.900     0.900 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.24343E-02 ppm1      7.746 ppm2      8.101 CV     1
 ASSI { 2108}
   (( segid "B   " and resid 91   and name H   ))
   (  segid "B   " and resid 90   and name HD% )
      3.200     1.300     1.300 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.15398E-02 ppm1      8.101 ppm2      6.932 CV     1
 ASSI { 2109}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 90   and name HA  ))
      2.800     1.000     1.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.50257E-02 ppm1      8.099 ppm2      4.181 CV     1
 ASSI { 2112}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 90   and name HB3 ))
      2.700     0.900     0.900 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      8.098 ppm2      2.941 CV     1
 ASSI { 2113}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 91   and name HG3 ))
      3.500     1.500     1.500 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.22056E-02 ppm1      8.099 ppm2      2.279 CV     1
 ASSI { 2114}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 91   and name HG2 ))
      3.300     1.300     1.300 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.14687E-02 ppm1      8.098 ppm2      1.976 CV     1
 ASSI { 2115}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 91   and name HB2 ))
      2.800     0.900     0.900 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.22695E-02 ppm1      8.097 ppm2      1.904 CV     1
 ASSI { 2116}
   (( segid "B   " and resid 91   and name H   ))
   (( segid "B   " and resid 91   and name HB3 ))
      2.900     1.100     1.100 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.26441E-02 ppm1      8.098 ppm2      1.802 CV     1
 ASSI { 2117}
   (( segid "B   " and resid 92   and name H   ))
   (  segid "B   " and resid 90   and name HD% )
      2.700     2.700     3.300 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.73535E-03 ppm1      7.230 ppm2      6.934 CV     1
 ASSI { 2118}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 89   and name HA  ))
      3.500     1.600     1.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.91089E-03 ppm1      7.232 ppm2      4.448 CV     1
 ASSI { 2119}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 90   and name HA  ))
      3.600     1.600     1.600 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.80954E-03 ppm1      7.231 ppm2      4.179 CV     1
 ASSI { 2120}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.36319E-02 ppm1      7.231 ppm2      3.974 CV     1
 ASSI { 2121}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 92   and name HA2 ))
      2.300     0.700     0.700 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.62073E-02 ppm1      7.231 ppm2      3.806 CV     1
 ASSI { 2122}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 92   and name HA3 ))
      2.800     1.000     1.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.61202E-02 ppm1      7.231 ppm2      3.731 CV     1
 ASSI { 2123}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name HG2 ))
      4.200     2.200     1.800 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.61512E-03 ppm1      7.231 ppm2      1.975 CV     1
 ASSI { 2124}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name HB2 ))
      3.500     1.500     1.500 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      7.231 ppm2      1.904 CV     1
 ASSI { 2125}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name HB3 ))
      3.500     1.500     1.500 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12128E-02 ppm1      7.232 ppm2      1.801 CV     1
 ASSI { 2127}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name H   ))
      2.500     0.800     0.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.37336E-02 ppm1      7.230 ppm2      8.100 CV     1
 ASSI { 2128}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 93   and name H   ))
      2.700     0.900     0.900 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.33568E-02 ppm1      7.230 ppm2      7.971 CV     1
 ASSI { 2129}
   (( segid "B   " and resid 93   and name H   ))
   (  segid "B   " and resid 93   and name HD% )
      3.800     1.800     1.800 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.23673E-02 ppm1      7.972 ppm2      7.291 CV     1
 ASSI { 2131}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.76812E-02 ppm1      7.970 ppm2      4.799 CV     1
 ASSI { 2132}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 94   and name HA  ))
      3.400     1.500     1.500 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.91292E-03 ppm1      7.970 ppm2      4.449 CV     1
 ASSI { 2134}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 92   and name HA2 ))
      2.700     0.900     0.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.42899E-02 ppm1      7.970 ppm2      3.805 CV     1
 ASSI { 2136}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 94   and name HD3 ))
      3.600     1.600     1.600 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      7.972 ppm2      3.565 CV     1
 ASSI { 2137}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 93   and name HB2 ))
      2.500     0.800     0.800 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.38973E-02 ppm1      7.971 ppm2      3.148 CV     1
 ASSI { 2138}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 93   and name HB3 ))
      2.700     0.900     0.900 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.69851E-02 ppm1      7.971 ppm2      2.934 CV     1
 ASSI { 2140}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 101  and name HG3 ))
      2.800     2.800     3.200 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.67036E-03 ppm1      7.968 ppm2      1.358 CV     1
 OR { 2140}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 101  and name HG2 ))
 ASSI { 2143}
   (( segid "B   " and resid 95   and name H   ))
   (  segid "B   " and resid 93   and name HD% )
      3.800     1.800     1.800 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.64734E-03 ppm1      8.289 ppm2      7.286 CV     1
 ASSI { 2145}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 88   and name HA  ))
      2.800     2.800     3.200 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.58796E-03 ppm1      8.293 ppm2      3.953 CV     1
 ASSI { 2146}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 93   and name HB2 ))
      2.600     2.600     3.400 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.89297E-03 ppm1      8.290 ppm2      3.141 CV     1
 ASSI { 2147}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 93   and name HB3 ))
      3.300     1.400     1.400 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.77732E-03 ppm1      8.294 ppm2      2.941 CV     1
 ASSI { 2150}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 95   and name HB2 ))
      2.900     1.000     1.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.51277E-02 ppm1      8.295 ppm2      2.764 CV     1
 ASSI { 2151}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 95   and name HB3 ))
      2.600     0.800     0.800 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.67139E-02 ppm1      8.295 ppm2      2.684 CV     1
 ASSI { 2152}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 94   and name HB2 ))
      3.900     1.900     1.900 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.19062E-02 ppm1      8.297 ppm2      2.263 CV     1
 ASSI { 2153}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 94   and name HB3 ))
      3.600     1.600     1.600 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.52401E-02 ppm1      8.292 ppm2      1.974 CV     1
 ASSI { 2155}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 94   and name HA  ))
      4.600     2.600     1.400 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.75275E-03 ppm1      8.150 ppm2      4.445 CV     1
 ASSI { 2156}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 93   and name HB3 ))
      3.600     1.600     1.600 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.55881E-03 ppm1      8.151 ppm2      2.932 CV     1
 ASSI { 2158}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 95   and name H   ))
      2.800     1.000     1.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.32096E-02 ppm1      8.142 ppm2      8.295 CV     1
 ASSI { 2161}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.71233E-02 ppm1      8.144 ppm2      4.371 CV     1
 ASSI { 2163}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 96   and name HB3 ))
      2.700     0.900     0.900 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.60027E-02 ppm1      8.144 ppm2      1.801 CV     1
 ASSI { 2164}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.29573E-02 ppm1      8.144 ppm2      1.928 CV     1
 ASSI { 2167}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 97   and name HA  ))
      2.800     0.900     0.900 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.31871E-02 ppm1      8.216 ppm2      4.655 CV     1
 ASSI { 2168}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.73997E-02 ppm1      8.215 ppm2      4.371 CV     1
 ASSI { 2169}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 97   and name HG2 ))
      3.300     1.400     1.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.20254E-02 ppm1      8.214 ppm2      2.431 CV     1
 OR { 2169}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 97   and name HG3 ))
 ASSI { 2170}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.15347E-02 ppm1      8.215 ppm2      2.145 CV     1
 ASSI { 2171}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 97   and name HB3 ))
      2.900     1.100     1.100 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.44429E-02 ppm1      8.215 ppm2      1.993 CV     1
 ASSI { 2172}
   (( segid "B   " and resid 97   and name H   ))
   (( segid "B   " and resid 96   and name HB3 ))
      3.900     1.900     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.81775E-03 ppm1      8.214 ppm2      1.809 CV     1
 ASSI { 2173}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 88   and name HG2 ))
      3.300     1.400     1.400 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      7.704 ppm2      2.177 CV     1
 ASSI { 2175}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 57   and name HE3 ))
      5.200     3.400     0.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.38798E-03 ppm1      8.117 ppm2      3.035 CV     1
 OR { 2175}
   (( segid "A   " and resid 57   and name H   ))
   (( segid "A   " and resid 57   and name HE2 ))
 ASSI { 2176}
   (( segid "A   " and resid 52   and name H   ))
   (( segid "A   " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.49882E-02 ppm1      8.797 ppm2      2.163 CV     1
 ASSI { 2177}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 50   and name HB  ))
      3.600     1.700     1.700 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.97433E-03 ppm1      8.307 ppm2      4.485 CV     1
 ASSI { 2178}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 49   and name HG2 ))
      2.000     0.500     0.500 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.62739E-02 ppm1      8.258 ppm2      1.802 CV     1
 ASSI { 2180}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HD3 ))
      4.700     2.700     1.300 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.49895E-03 ppm1      8.568 ppm2      1.759 CV     1
 OR { 2180}
   (( segid "A   " and resid 48   and name H   ))
   (( segid "A   " and resid 48   and name HD2 ))
 ASSI { 2181}
   (( segid "B   " and resid 48   and name H   ))
   (( segid "B   " and resid 48   and name HB3 ))
      3.200     1.300     1.300 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.21360E-02 ppm1      8.291 ppm2      1.811 CV     1
 ASSI { 2182}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HD2 ))
      3.000     1.100     1.100 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.90166E-03 ppm1      9.965 ppm2      3.725 CV     1
 ASSI { 2185}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HD2 ))
      3.300     1.400     1.400 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.45375E-03 ppm1      9.804 ppm2      3.737 CV     1
 ASSI { 2186}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.38789E-03 ppm1      9.965 ppm2      2.445 CV     1
 ASSI { 2187}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 43   and name HB3 ))
      4.600     2.600     1.400 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.65606E-03 ppm1      9.965 ppm2      2.022 CV     1
 ASSI { 2188}
   (( segid "A   " and resid 44   and name H   ))
   (( segid "A   " and resid 43   and name HB3 ))
      4.200     2.200     1.800 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      9.804 ppm2      2.030 CV     1
 ASSI { 2196}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 36   and name HG2 ))
      4.300     2.300     1.700 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.17179E-02 ppm1      7.852 ppm2      2.503 CV     1
 ASSI { 2197}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 35   and name HD3 ))
      4.500     2.500     1.500 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.94363E-03 ppm1      8.025 ppm2      1.218 CV     1
 ASSI { 2198}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HD2 ))
      5.300     3.500     0.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.51990E-03 ppm1      8.394 ppm2      1.781 CV     1
 OR { 2198}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 31   and name HD3 ))
 ASSI { 2200}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.26139E-03 ppm1      9.626 ppm2      3.497 CV     1
 ASSI { 2201}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 30   and name HB3 ))
      3.500     1.600     1.600 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.51277E-03 ppm1      9.626 ppm2      3.045 CV     1
 ASSI { 2202}
   (( segid "B   " and resid 30   and name H   ))
   (( segid "B   " and resid 30   and name HB2 ))
      6.000     5.700     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.14999E-04 ppm1      9.592 ppm2      3.509 CV     1
 ASSI { 2204}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HE2 ))
      3.700     1.700     1.700 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.12870E-02 ppm1      7.197 ppm2      3.130 CV     1
 OR { 2204}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 28   and name HE3 ))
 ASSI { 2205}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      7.207 ppm2      5.150 CV     1
 ASSI { 2206}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.19753E-02 ppm1      7.207 ppm2      4.843 CV     1
 ASSI { 2208}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      7.210 ppm2      3.074 CV     1
 ASSI { 2209}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HE2 ))
      4.100     2.100     1.900 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.68573E-03 ppm1      7.209 ppm2      3.118 CV     1
 OR { 2209}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HE3 ))
 ASSI { 2210}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HB3 ))
      3.400     1.400     1.400 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      7.209 ppm2      1.728 CV     1
 OR { 2210}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HB2 ))
 ASSI { 2211}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HG2 ))
      3.300     1.400     1.400 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      7.207 ppm2      1.515 CV     1
 OR { 2211}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI { 2212}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 28   and name HG3 ))
      4.000     2.000     2.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.40012E-03 ppm1      7.205 ppm2      1.333 CV     1
 ASSI { 2213}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.24497E-02 ppm1      9.568 ppm2      4.831 CV     1
 ASSI { 2214}
   (( segid "B   " and resid 27   and name H   ))
   (  segid "B   " and resid 27   and name HD% )
      2.900     1.100     1.100 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.34982E-02 ppm1      9.564 ppm2      7.492 CV     1
 ASSI { 2215}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name H   ))
      2.200     0.600     0.600 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.60078E-02 ppm1      9.564 ppm2      7.196 CV     1
 ASSI { 2219}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HB3 ))
      3.000     1.100     1.100 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.35951E-02 ppm1      7.232 ppm2      2.040 CV     1
 ASSI { 2220}
   (( segid "B   " and resid 22   and name H   ))
   (( segid "B   " and resid 22   and name HD3 ))
      4.400     2.500     1.600 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      7.246 ppm2      1.807 CV     1
 ASSI { 2221}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HD3 ))
      4.700     2.700     1.300 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.96717E-03 ppm1      7.233 ppm2      1.805 CV     1
 ASSI { 2222}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HD2 ))
      4.600     2.600     1.400 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.60178E-03 ppm1      7.230 ppm2      1.908 CV     1
 ASSI { 2223}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HG3 ))
      3.900     1.900     1.900 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.15035E-02 ppm1      7.228 ppm2      1.485 CV     1
 ASSI { 2224}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HE2 ))
      5.000     3.100     1.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.31768E-03 ppm1      7.232 ppm2      3.044 CV     1
 OR { 2224}
   (( segid "A   " and resid 22   and name H   ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 2225}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.14907E-02 ppm1      6.819 ppm2      4.333 CV     1
 ASSI { 2227}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 19   and name HB2 ))
      2.900     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.96258E-03 ppm1      6.824 ppm2      2.935 CV     1
 ASSI { 2228}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 19   and name HB3 ))
      4.300     2.300     1.700 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.85765E-03 ppm1      6.819 ppm2      2.353 CV     1
 ASSI { 2229}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 18   and name HB3 ))
      3.200     1.300     1.300 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      6.825 ppm2      1.896 CV     1
 OR { 2229}
   (( segid "B   " and resid 19   and name H   ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI { 2232}
   (( segid "B   " and resid 19   and name H   ))
   (  segid "B   " and resid 19   and name HD% )
      2.800     1.000     1.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.19481E-02 ppm1      6.825 ppm2      7.419 CV     1
 ASSI { 2234}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 18   and name HE3 ))
      5.200     3.400     0.800 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      7.776 ppm2      2.960 CV     1
 OR { 2234}
   (( segid "A   " and resid 18   and name H   ))
   (( segid "A   " and resid 18   and name HE2 ))
 ASSI { 2239}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 7    and name HD3 ))
      3.900     1.900     1.900 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.16104E-02 ppm1      8.258 ppm2      1.812 CV     1
 OR { 2239}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 7    and name HD2 ))
 ASSI { 2241}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 7    and name HG3 ))
      4.100     2.100     1.900 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.94976E-03 ppm1      8.253 ppm2      1.574 CV     1
 ASSI { 2242}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 6    and name HB3 ))
      3.000     1.100     1.100 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.81826E-03 ppm1      8.253 ppm2      2.196 CV     1
 OR { 2242}
   (( segid "B   " and resid 7    and name H   ))
   (( segid "B   " and resid 6    and name HB2 ))
 ASSI { 2244}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 96   and name HG3 ))
      3.700     1.700     1.700 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.18044E-02 ppm1      8.147 ppm2      1.476 CV     1
 OR { 2244}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 96   and name HG2 ))
 ASSI { 2246}
   (( segid "B   " and resid 95   and name H   ))
   (( segid "B   " and resid 94   and name HA  ))
      2.000     0.500     0.500 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.21007E-01 ppm1      8.292 ppm2      4.443 CV     1
 ASSI { 2251}
   (( segid "B   " and resid 92   and name H   ))
   (( segid "B   " and resid 91   and name HG3 ))
      4.600     2.700     1.400 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.50980E-03 ppm1      7.232 ppm2      2.279 CV     1
 ASSI { 2252}
   (( segid "B   " and resid 87   and name H   ))
   (( segid "B   " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.86330E-03 ppm1      8.607 ppm2      4.088 CV     1
 ASSI { 2254}
   (( segid "A   " and resid 71   and name H   ))
   (( segid "A   " and resid 71   and name HB3 ))
      4.200     2.200     1.800 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.33600E-03 ppm1      9.106 ppm2      2.748 CV     1
 ASSI { 2255}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 71   and name HB3 ))
      4.600     2.600     1.400 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.32081E-03 ppm1      9.365 ppm2      2.727 CV     1
 ASSI { 2256}
   (( segid "B   " and resid 71   and name H   ))
   (( segid "B   " and resid 71   and name HB2 ))
      3.700     1.700     1.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.37449E-03 ppm1      9.370 ppm2      3.599 CV     1
 ASSI { 2261}
   (( segid "A   " and resid 78   and name H   ))
   (  segid "A   " and resid 78   and name HE% )
      5.000     3.200     1.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.54396E-03 ppm1      8.245 ppm2      7.030 CV     1
 ASSI { 2263}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
      4.200     2.200     1.800 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.10332E-02 ppm1      6.854 ppm2      0.287 CV     1
 OR { 2263}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 2263}
   (( segid "A   " and resid 19   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
 ASSI {    6}
   (  segid "A   " and resid 90   and name HD% )
   (( segid "A   " and resid 90   and name HB3 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.29890E-02 ppm1      6.919 ppm2      2.821 CV     1
 ASSI {    9}
   (  segid "A   " and resid 78   and name HD% )
   (  segid "C   " and resid 1904  and name HG2%)
      1.800     0.400     0.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.76305E-02 ppm1      7.113 ppm2      1.486 CV     1
 ASSI {   10}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD12))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.61312E-02 ppm1      7.115 ppm2      0.926 CV     1
 OR {   10}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD13))
 OR {   10}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD11))
 ASSI {   11}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD12))
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.44578E-02 ppm1      7.115 ppm2      0.862 CV     1
 OR {   11}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD13))
 OR {   11}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD11))
 ASSI {   12}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD22))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      7.114 ppm2      0.791 CV     1
 OR {   12}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD21))
 OR {   12}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 58   and name HD23))
 ASSI {   15}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 82   and name HD12))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.17866E-02 ppm1      7.116 ppm2     -0.112 CV     1
 OR {   15}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 82   and name HD11))
 OR {   15}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 82   and name HD13))
 ASSI {   16}
   (  segid "A   " and resid 75   and name HD% )
   (  segid "A   " and resid 75   and name HE% )
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.32551E-02 ppm1      6.926 ppm2      6.702 CV     1
 ASSI {   18}
   (  segid "A   " and resid 90   and name HD% )
   (  segid "A   " and resid 90   and name HE% )
      2.300     0.700     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.93833E-02 ppm1      6.926 ppm2      7.136 CV     1
 ASSI {   19}
   (  segid "B   " and resid 90   and name HD% )
   (  segid "B   " and resid 90   and name HE% )
      2.300     0.600     0.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.78242E-02 ppm1      6.941 ppm2      7.104 CV     1
 ASSI {   20}
   (  segid "A   " and resid 89   and name HD% )
   (( segid "A   " and resid 89   and name HB3 ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.33487E-02 ppm1      7.126 ppm2      2.993 CV     1
 ASSI {   21}
   (  segid "A   " and resid 89   and name HD% )
   (( segid "A   " and resid 89   and name HB2 ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.30987E-02 ppm1      7.128 ppm2      3.110 CV     1
 ASSI {   22}
   (  segid "A   " and resid 89   and name HD% )
   (( segid "A   " and resid 89   and name HA  ))
      2.800     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.35069E-02 ppm1      7.130 ppm2      4.437 CV     1
 ASSI {   23}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.61182E-02 ppm1      7.115 ppm2      4.276 CV     1
 ASSI {   24}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 78   and name HB2 ))
      2.400     0.700     0.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.25710E-02 ppm1      7.115 ppm2      3.823 CV     1
 ASSI {   25}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 78   and name HB3 ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.23466E-02 ppm1      7.115 ppm2      3.446 CV     1
 ASSI {   26}
   (  segid "B   " and resid 89   and name HD% )
   (( segid "B   " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak    26 spectrum    1 weight  0.10000E+01 volume  0.28469E-02 ppm1      7.257 ppm2      4.461 CV     1
 ASSI {   30}
   (  segid "A   " and resid 78   and name HD% )
   (  segid "A   " and resid 75   and name HD% )
      1.600     1.600     4.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.28130E-01 ppm1      7.110 ppm2      6.939 CV     1
 ASSI {   31}
   (  segid "A   " and resid 78   and name HD% )
   (  segid "A   " and resid 78   and name HE% )
      1.700     0.400     0.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.15973E-01 ppm1      7.115 ppm2      7.023 CV     1
 ASSI {   32}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD21))
      2.600     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.34940E-02 ppm1      7.111 ppm2      0.292 CV     1
 OR {   32}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD23))
 OR {   32}
   (  segid "A   " and resid 78   and name HD% )
   (( segid "A   " and resid 62   and name HD22))
 ASSI {   36}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 34   and name HD23))
      2.900     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.18382E-02 ppm1      7.026 ppm2      0.781 CV     1
 OR {   36}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 34   and name HD22))
 OR {   36}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 34   and name HD21))
 ASSI {   41}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1904  and name HG2%)
      3.500     1.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19351E-02 ppm1      7.027 ppm2      1.481 CV     1
 ASSI {   42}
   (  segid "B   " and resid 78   and name HD% )
   (  segid "B   " and resid 78   and name HE% )
      1.800     0.400     0.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12409E-01 ppm1      7.011 ppm2      6.897 CV     1
 ASSI {   43}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.55810E-02 ppm1      7.011 ppm2      4.333 CV     1
 ASSI {   44}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 78   and name HB3 ))
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.34020E-02 ppm1      7.009 ppm2      3.243 CV     1
 ASSI {   45}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 78   and name HB2 ))
      2.300     0.600     0.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35344E-02 ppm1      7.009 ppm2      3.399 CV     1
 ASSI {   47}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HD13))
      2.900     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.34924E-02 ppm1      7.007 ppm2      0.462 CV     1
 OR {   47}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HD12))
 OR {   47}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HD11))
 OR {   47}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HD22))
 OR {   47}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HD21))
 ASSI {   52}
   (  segid "B   " and resid 78   and name HD% )
   (  segid "C   " and resid 1917  and name HD1%)
      2.900     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.53711E-02 ppm1      7.008 ppm2      1.189 CV     1
 ASSI {   54}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "C   " and resid 1928  and name HZ  ))
      2.800     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.20981E-02 ppm1      7.004 ppm2      7.192 CV     1
 ASSI {   55}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 78   and name H   ))
      3.600     1.600     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.24725E-02 ppm1      7.009 ppm2      7.677 CV     1
 ASSI {   58}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 82   and name HG12))
      3.400     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.14971E-02 ppm1      6.892 ppm2      0.558 CV     1
 ASSI {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD13))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.39137E-02 ppm1      6.890 ppm2      1.039 CV     1
 OR {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD11))
 OR {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD12))
 OR {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD22))
 OR {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD21))
 OR {   60}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 38   and name HD23))
 ASSI {   66}
   (( segid "B   " and resid 78   and name HZ  ))
   (( segid "B   " and resid 38   and name HD11))
      2.600     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.30099E-02 ppm1      6.813 ppm2      1.035 CV     1
 OR {   66}
   (( segid "B   " and resid 78   and name HZ  ))
   (( segid "B   " and resid 38   and name HD13))
 OR {   66}
   (( segid "B   " and resid 78   and name HZ  ))
   (( segid "B   " and resid 38   and name HD12))
 OR {   66}
   (( segid "B   " and resid 78   and name HZ  ))
   (( segid "B   " and resid 38   and name HD21))
 OR {   66}
   (( segid "B   " and resid 78   and name HZ  ))
   (( segid "B   " and resid 38   and name HD22))
 ASSI {   67}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 78   and name HZ  ))
      2.000     0.500     0.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.71046E-02 ppm1      6.892 ppm2      6.819 CV     1
 ASSI {   71}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.29260E-02 ppm1      7.216 ppm2      4.248 CV     1
 ASSI {   72}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.52388E-02 ppm1      7.216 ppm2      4.176 CV     1
 ASSI {   73}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 55   and name HB2 ))
      2.600     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.39799E-02 ppm1      7.216 ppm2      3.171 CV     1
 ASSI {   74}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 55   and name HB3 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      7.216 ppm2      3.039 CV     1
 ASSI {   79}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 55   and name H   ))
      3.400     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      7.177 ppm2      7.973 CV     1
 ASSI {   80}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.30568E-02 ppm1      7.178 ppm2      4.084 CV     1
 ASSI {   81}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 55   and name HB3 ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      7.177 ppm2      3.080 CV     1
 ASSI {   82}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 58   and name HD21))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.25145E-02 ppm1      7.173 ppm2      0.839 CV     1
 OR {   82}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 58   and name HD23))
 OR {   82}
   (  segid "B   " and resid 55   and name HD% )
   (( segid "B   " and resid 58   and name HD22))
 ASSI {   86}
   (  segid "A   " and resid 45   and name HD% )
   (( segid "A   " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      7.191 ppm2      3.380 CV     1
 ASSI {   87}
   (  segid "A   " and resid 45   and name HD% )
   (( segid "A   " and resid 45   and name HB3 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.25113E-02 ppm1      7.191 ppm2      2.871 CV     1
 ASSI {   89}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 45   and name H   ))
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.43383E-02 ppm1      7.321 ppm2      8.044 CV     1
 ASSI {   90}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 45   and name HB2 ))
      2.100     0.500     0.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.57925E-02 ppm1      7.315 ppm2      3.406 CV     1
 ASSI {   91}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.33019E-02 ppm1      7.316 ppm2      4.835 CV     1
 ASSI {   92}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak    92 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      7.316 ppm2      5.513 CV     1
 ASSI {   93}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "C   " and resid 1930  and name HA  ))
      2.700     0.900     0.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.24806E-02 ppm1      7.315 ppm2      4.331 CV     1
 ASSI {   94}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 45   and name HB3 ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.39137E-02 ppm1      7.315 ppm2      3.109 CV     1
 ASSI {   96}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HD12))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.50031E-02 ppm1      7.316 ppm2      0.778 CV     1
 OR {   96}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HD13))
 ASSI {  101}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HB3 ))
      1.900     0.500     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      7.316 ppm2      1.927 CV     1
 ASSI {  102}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 82   and name HD11))
      3.300     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19916E-02 ppm1      7.316 ppm2     -0.157 CV     1
 OR {  102}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 82   and name HD13))
 OR {  102}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 82   and name HD12))
 ASSI {  107}
   (  segid "A   " and resid 45   and name HD% )
   (  segid "C   " and resid 1900  and name HD1%)
      3.500     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.20432E-02 ppm1      7.191 ppm2      0.955 CV     1
 ASSI {  109}
   (  segid "A   " and resid 45   and name HD% )
   (( segid "A   " and resid 85   and name HE1 ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.37087E-02 ppm1      7.193 ppm2      2.179 CV     1
 OR {  109}
   (  segid "A   " and resid 45   and name HD% )
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  109}
   (  segid "A   " and resid 45   and name HD% )
   (( segid "A   " and resid 85   and name HE2 ))
 ASSI {  127}
   (  segid "A   " and resid 75   and name HE% )
   (( segid "B   " and resid 5    and name HD11))
      3.400     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      6.718 ppm2      1.079 CV     1
 OR {  127}
   (  segid "A   " and resid 75   and name HE% )
   (( segid "B   " and resid 5    and name HD12))
 OR {  127}
   (  segid "A   " and resid 75   and name HE% )
   (( segid "B   " and resid 5    and name HD13))
 ASSI {  130}
   (  segid "A   " and resid 75   and name HE% )
   (  segid "A   " and resid 16   and name HE% )
      3.600     1.600     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.15485E-02 ppm1      6.709 ppm2      6.284 CV     1
 ASSI {  131}
   (  segid "B   " and resid 93   and name HE% )
   (  segid "A   " and resid 27   and name HE% )
      1.500     1.500     4.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.23289E-01 ppm1      7.343 ppm2      7.445 CV     1
 ASSI {  133}
   (  segid "A   " and resid 27   and name HE% )
   (  segid "B   " and resid 93   and name HD% )
      1.800     1.800     4.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.78404E-02 ppm1      7.418 ppm2      7.317 CV     1
 ASSI {  135}
   (  segid "B   " and resid 90   and name HD% )
   (( segid "A   " and resid 13   and name HG23))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.36296E-02 ppm1      6.923 ppm2      0.857 CV     1
 OR {  135}
   (  segid "B   " and resid 90   and name HD% )
   (( segid "A   " and resid 13   and name HG22))
 OR {  135}
   (  segid "B   " and resid 90   and name HD% )
   (( segid "A   " and resid 13   and name HG21))
 ASSI {  140}
   (  segid "B   " and resid 72   and name HE% )
   (  segid "B   " and resid 72   and name HD% )
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.33988E-02 ppm1      7.007 ppm2      6.209 CV     1
 ASSI {  141}
   (  segid "B   " and resid 72   and name HE% )
   (  segid "B   " and resid 75   and name HE% )
      3.300     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.17753E-02 ppm1      7.007 ppm2      6.660 CV     1
 ASSI {  148}
   (  segid "B   " and resid 45   and name HE% )
   (  segid "B   " and resid 45   and name HD% )
      1.700     0.300     0.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.22934E-01 ppm1      7.140 ppm2      7.316 CV     1
 ASSI {  162}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 36   and name HG3 ))
      4.000     2.000     2.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.23337E-02 ppm1      7.413 ppm2      2.420 CV     1
 ASSI {  165}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 36   and name HG2 ))
      2.700     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.27259E-02 ppm1      6.846 ppm2      2.487 CV     1
 ASSI {  171}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.21417E-02 ppm1      6.850 ppm2      1.906 CV     1
 ASSI {  175}
   (  segid "A   " and resid 90   and name HD% )
   (( segid "B   " and resid 13   and name HG23))
      2.600     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.43900E-02 ppm1      6.923 ppm2      0.856 CV     1
 OR {  175}
   (  segid "A   " and resid 90   and name HD% )
   (( segid "B   " and resid 13   and name HG22))
 OR {  175}
   (  segid "A   " and resid 90   and name HD% )
   (( segid "B   " and resid 13   and name HG21))
 ASSI {    1}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1900  and name HD1%)
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.14047E-01 ppm1     -0.106 ppm2      0.958 CV     1
 OR {    1}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {    1}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {    2}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
      3.000     1.200     1.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.72232E-02 ppm1     -0.107 ppm2      1.090 CV     1
 OR {    2}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {    2}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {    3}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
      3.900     1.900     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.18073E-02 ppm1     -0.111 ppm2      1.486 CV     1
 OR {    3}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {    3}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {    4}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1903  and name HB% )
      4.500     2.600     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.29766E-02 ppm1     -0.106 ppm2      1.598 CV     1
 OR {    4}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1903  and name HB% )
 OR {    4}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {    5}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "C   " and resid 1900  and name HA  ))
      4.900     3.000     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.15169E-02 ppm1     -0.114 ppm2      4.197 CV     1
 OR {    5}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {    5}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {    6}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "C   " and resid 1900  and name HG  ))
      4.400     2.500     1.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.97196E-03 ppm1     -0.109 ppm2      2.155 CV     1
 OR {    6}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {    6}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {    8}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1900  and name HD1%)
      3.300     1.400     1.400 peak     8 spectrum    1 weight  0.10000E+01 volume  0.62876E-02 ppm1      0.050 ppm2      0.959 CV     1
 OR {    8}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {    8}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {    9}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1900  and name HD2%)
      4.000     2.000     2.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.23709E-02 ppm1      0.050 ppm2      1.093 CV     1
 OR {    9}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {    9}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {   10}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1903  and name HB% )
      5.000     3.100     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.20982E-02 ppm1      0.052 ppm2      1.592 CV     1
 OR {   10}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1903  and name HB% )
 OR {   10}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {   11}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "C   " and resid 1900  and name HA  ))
      5.700     4.100     0.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.97462E-03 ppm1      0.050 ppm2      4.192 CV     1
 OR {   11}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {   11}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {   12}
   (( segid "A   " and resid 82   and name HG12))
   (  segid "C   " and resid 1900  and name HD1%)
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.26308E-02 ppm1      0.323 ppm2      0.960 CV     1
 ASSI {   13}
   (( segid "A   " and resid 82   and name HA  ))
   (  segid "C   " and resid 1900  and name HD1%)
      4.600     2.700     1.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      3.501 ppm2      0.958 CV     1
 ASSI {   14}
   (( segid "A   " and resid 82   and name HA  ))
   (  segid "C   " and resid 1903  and name HB% )
      4.200     2.200     1.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      3.501 ppm2      1.594 CV     1
 ASSI {   15}
   (( segid "A   " and resid 62   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
      3.000     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.13240E-01 ppm1      0.925 ppm2      1.486 CV     1
 OR {   15}
   (( segid "A   " and resid 62   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {   15}
   (( segid "A   " and resid 62   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {   16}
   (( segid "A   " and resid 62   and name HD11))
   (  segid "C   " and resid 1907  and name HB% )
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13325E-01 ppm1      0.925 ppm2      1.645 CV     1
 OR {   16}
   (( segid "A   " and resid 62   and name HD13))
   (  segid "C   " and resid 1907  and name HB% )
 OR {   16}
   (( segid "A   " and resid 62   and name HD12))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {   20}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "C   " and resid 1907  and name HB% )
      3.500     1.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.19648E-02 ppm1      0.288 ppm2      1.641 CV     1
 OR {   20}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "C   " and resid 1907  and name HB% )
 OR {   20}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {   21}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "C   " and resid 1904  and name HG2%)
      3.200     1.200     1.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.40244E-02 ppm1      0.288 ppm2      1.486 CV     1
 OR {   21}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {   21}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {   22}
   (( segid "A   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1907  and name HB% )
      3.200     1.300     1.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.34001E-02 ppm1      4.334 ppm2      1.647 CV     1
 ASSI {   23}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "C   " and resid 1900  and name HD1%)
      3.500     1.500     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.73074E-02 ppm1      1.004 ppm2      0.961 CV     1
 OR {   23}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {   23}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {   24}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.16624E-01 ppm1      1.005 ppm2      1.094 CV     1
 OR {   24}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {   24}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {   25}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "C   " and resid 1900  and name HD1%)
      3.200     1.300     1.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.36036E-02 ppm1      0.929 ppm2      0.954 CV     1
 OR {   25}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {   25}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {   26}
   (( segid "A   " and resid 38   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      2.500     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.12407E-01 ppm1      0.929 ppm2      1.091 CV     1
 OR {   26}
   (( segid "A   " and resid 38   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {   26}
   (( segid "A   " and resid 38   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {   27}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "C   " and resid 1900  and name HG  ))
      4.200     2.200     1.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.19204E-02 ppm1      1.004 ppm2      2.156 CV     1
 OR {   27}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {   27}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {   28}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "C   " and resid 1900  and name HB3 ))
      5.200     3.400     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.14624E-02 ppm1      1.005 ppm2      2.075 CV     1
 OR {   28}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {   28}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {   29}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "C   " and resid 1900  and name HB2 ))
      5.700     4.000     0.300 peak    29 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      1.006 ppm2      1.598 CV     1
 OR {   29}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR {   29}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR {   29}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {   30}
   (( segid "A   " and resid 38   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
      5.300     3.500     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.95866E-03 ppm1      1.006 ppm2      1.491 CV     1
 OR {   30}
   (( segid "A   " and resid 38   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {   30}
   (( segid "A   " and resid 38   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {   31}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "C   " and resid 1900  and name HG  ))
      3.600     1.600     1.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.16052E-02 ppm1      0.929 ppm2      2.151 CV     1
 OR {   31}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {   31}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {   32}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "C   " and resid 1900  and name HB3 ))
      4.900     3.000     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      0.925 ppm2      2.073 CV     1
 OR {   32}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {   32}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {   34}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1900  and name HD1%)
      2.800     1.000     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.44257E-02 ppm1      0.865 ppm2      0.967 CV     1
 OR {   34}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {   34}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {   35}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.83716E-02 ppm1      0.865 ppm2      1.090 CV     1
 OR {   35}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {   35}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {   36}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
      2.100     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.16499E-01 ppm1      0.865 ppm2      1.486 CV     1
 OR {   36}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {   36}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {   37}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HB2 ))
      3.500     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.74582E-02 ppm1      0.865 ppm2      1.609 CV     1
 OR {   37}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR {   37}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HB2 ))
 ASSI {   38}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HG  ))
      2.600     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      0.864 ppm2      2.157 CV     1
 OR {   38}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {   38}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {   39}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HB3 ))
      2.400     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.61280E-02 ppm1      0.865 ppm2      2.082 CV     1
 OR {   39}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {   39}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {   40}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1899  and name HG3 ))
      5.300     3.500     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.16224E-02 ppm1      0.866 ppm2      2.332 CV     1
 OR {   40}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1899  and name HG3 ))
 OR {   40}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1899  and name HG3 ))
 ASSI {   41}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1900  and name HD1%)
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.47534E-02 ppm1      0.805 ppm2      0.957 CV     1
 OR {   41}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {   41}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {   42}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      2.800     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12234E-01 ppm1      0.805 ppm2      1.091 CV     1
 OR {   42}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {   42}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {   43}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1904  and name HG2%)
      4.500     2.600     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30272E-02 ppm1      0.806 ppm2      1.486 CV     1
 OR {   43}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {   43}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {   44}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1903  and name HB% )
      5.100     3.200     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.33181E-02 ppm1      0.803 ppm2      1.604 CV     1
 OR {   44}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1903  and name HB% )
 OR {   44}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {   45}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HG  ))
      2.900     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.29044E-02 ppm1      0.805 ppm2      2.155 CV     1
 OR {   45}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {   45}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {   46}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.41446E-02 ppm1      0.804 ppm2      2.078 CV     1
 OR {   46}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {   46}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {   50}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HA  ))
      3.700     1.700     1.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.29008E-02 ppm1      0.865 ppm2      4.194 CV     1
 OR {   50}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {   50}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {   52}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1900  and name HA  ))
      5.000     3.100     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.17670E-02 ppm1      0.806 ppm2      4.202 CV     1
 OR {   52}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {   52}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {   56}
   (( segid "A   " and resid 77   and name HG11))
   (  segid "C   " and resid 1914  and name HG1%)
      2.400     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17657E-01 ppm1      0.961 ppm2      1.169 CV     1
 OR {   56}
   (( segid "A   " and resid 77   and name HG12))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {   56}
   (( segid "A   " and resid 77   and name HG13))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {   58}
   (( segid "A   " and resid 77   and name HG22))
   (  segid "C   " and resid 1907  and name HB% )
      2.200     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19324E-01 ppm1      1.157 ppm2      1.646 CV     1
 OR {   58}
   (( segid "A   " and resid 77   and name HG21))
   (  segid "C   " and resid 1907  and name HB% )
 OR {   58}
   (( segid "A   " and resid 77   and name HG23))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {   59}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG2 ))
      3.600     1.600     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10833E-01 ppm1      1.155 ppm2      1.999 CV     1
 OR {   59}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR {   59}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR {   59}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   59}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   59}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {   60}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HB2 ))
      4.400     2.400     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.78528E-02 ppm1      1.157 ppm2      2.268 CV     1
 OR {   60}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HB2 ))
 OR {   60}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI {   61}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HB3 ))
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.62521E-02 ppm1      1.157 ppm2      2.561 CV     1
 OR {   61}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {   61}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {   63}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name HA  ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.14562E-01 ppm1      1.157 ppm2      3.772 CV     1
 OR {   63}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name HA  ))
 OR {   63}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI {   64}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HA  ))
      3.900     1.900     1.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.48820E-02 ppm1      1.155 ppm2      4.259 CV     1
 OR {   64}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {   64}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {   65}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1908  and name HA  ))
      3.400     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.14398E-02 ppm1      1.152 ppm2      4.458 CV     1
 ASSI {   67}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HD22))
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      1.157 ppm2      7.436 CV     1
 OR {   67}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HD22))
 OR {   67}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HD22))
 ASSI {   68}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name H   ))
      5.000     3.200     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23997E-02 ppm1      1.154 ppm2      7.691 CV     1
 OR {   68}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name H   ))
 OR {   68}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name H   ))
 ASSI {   69}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HD21))
      2.900     1.100     1.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.32493E-02 ppm1      1.156 ppm2      7.832 CV     1
 OR {   69}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HD21))
 OR {   69}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {   70}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name H   ))
      4.500     2.600     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.30498E-02 ppm1      1.157 ppm2      8.142 CV     1
 OR {   70}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name H   ))
 OR {   70}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {   71}
   (( segid "A   " and resid 77   and name HG12))
   (  segid "C   " and resid 1910  and name HE% )
      3.900     1.900     1.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.10265E-01 ppm1      0.961 ppm2      2.003 CV     1
 OR {   71}
   (( segid "A   " and resid 77   and name HG13))
   (  segid "C   " and resid 1910  and name HE% )
 OR {   71}
   (( segid "A   " and resid 77   and name HG11))
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {   72}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name HB  ))
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.42696E-02 ppm1      0.963 ppm2      2.164 CV     1
 OR {   72}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name HB  ))
 OR {   72}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name HB  ))
 ASSI {   73}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HB2 ))
      4.200     2.200     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.34560E-02 ppm1      0.961 ppm2      2.268 CV     1
 OR {   73}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HB2 ))
 OR {   73}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI {   74}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.200     2.200     1.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.28529E-02 ppm1      0.961 ppm2      2.696 CV     1
 OR {   74}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HB3 ))
 OR {   74}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HB3 ))
 ASSI {   75}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HB3 ))
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.68108E-02 ppm1      0.962 ppm2      2.557 CV     1
 OR {   75}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {   75}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {   75}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI {   76}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.800     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.961 ppm2      3.154 CV     1
 OR {   76}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HB2 ))
 OR {   76}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HB2 ))
 ASSI {   77}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1912  and name HD2 ))
      5.500     2.800     3.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19807E-02 ppm1      0.961 ppm2      3.290 CV     1
 OR {   77}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1912  and name HD2 ))
 ASSI {   78}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1907  and name HA  ))
      4.100     2.100     1.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.27527E-02 ppm1      0.961 ppm2      3.774 CV     1
 OR {   78}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1907  and name HA  ))
 OR {   78}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI {   79}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HA  ))
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.18668E-01 ppm1      0.961 ppm2      4.251 CV     1
 OR {   79}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HA  ))
 OR {   79}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {   80}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD21))
      2.500     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.33996E-02 ppm1      0.962 ppm2      7.830 CV     1
 OR {   80}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD21))
 OR {   80}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {   81}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD22))
      4.200     2.200     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.21967E-02 ppm1      0.963 ppm2      7.434 CV     1
 OR {   81}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD22))
 OR {   81}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD22))
 ASSI {   82}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name H   ))
      4.800     2.800     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      0.960 ppm2      8.133 CV     1
 OR {   82}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name H   ))
 OR {   82}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {   83}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name H   ))
      4.600     2.600     1.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      0.963 ppm2      8.811 CV     1
 OR {   83}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name H   ))
 OR {   83}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {   84}
   (( segid "B   " and resid 77   and name HG11))
   (  segid "C   " and resid 1914  and name HG2%)
      4.600     2.600     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      1.159 ppm2      0.992 CV     1
 OR {   84}
   (( segid "B   " and resid 77   and name HG12))
   (  segid "C   " and resid 1914  and name HG2%)
 OR {   84}
   (( segid "B   " and resid 77   and name HG13))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI {   86}
   (( segid "B   " and resid 77   and name HG11))
   (  segid "C   " and resid 1914  and name HG1%)
      4.000     2.000     2.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.14065E-01 ppm1      1.161 ppm2      1.171 CV     1
 OR {   86}
   (( segid "B   " and resid 77   and name HG12))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {   86}
   (( segid "B   " and resid 77   and name HG13))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {   87}
   (( segid "B   " and resid 77   and name HG21))
   (  segid "C   " and resid 1914  and name HG1%)
      2.500     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.34542E-01 ppm1      1.020 ppm2      1.178 CV     1
 OR {   87}
   (( segid "B   " and resid 77   and name HG23))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {   87}
   (( segid "B   " and resid 77   and name HG22))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {   87}
   (( segid "B   " and resid 77   and name HG23))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {   87}
   (( segid "B   " and resid 77   and name HG22))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {   88}
   (( segid "B   " and resid 77   and name HG12))
   (  segid "C   " and resid 1910  and name HE% )
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.23053E-01 ppm1      1.161 ppm2      2.010 CV     1
 OR {   88}
   (( segid "B   " and resid 77   and name HG13))
   (  segid "C   " and resid 1910  and name HE% )
 OR {   88}
   (( segid "B   " and resid 77   and name HG11))
   (  segid "C   " and resid 1910  and name HE% )
 OR {   88}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   88}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {   89}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HB2 ))
      3.300     1.400     1.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.79238E-02 ppm1      1.161 ppm2      2.318 CV     1
 OR {   89}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HB2 ))
 OR {   89}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HB2 ))
 OR {   89}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HB3 ))
 OR {   89}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {   90}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HG2 ))
      4.700     2.800     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.29806E-02 ppm1      1.161 ppm2      2.509 CV     1
 OR {   90}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG2 ))
 OR {   90}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HG2 ))
 ASSI {   91}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HG3 ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.96620E-02 ppm1      1.161 ppm2      2.560 CV     1
 OR {   91}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {   91}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI {   92}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name HA  ))
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.35234E-02 ppm1      1.162 ppm2      3.601 CV     1
 OR {   92}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name HA  ))
 OR {   92}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {   93}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HA  ))
      3.900     1.900     1.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.65669E-02 ppm1      1.161 ppm2      4.255 CV     1
 OR {   93}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HA  ))
 OR {   93}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HA  ))
 ASSI {   94}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1917  and name HB2 ))
      3.200     1.300     1.300 peak    94 spectrum    1 weight  0.10000E+01 volume  0.44607E-02 ppm1      1.023 ppm2      1.638 CV     1
 OR {   94}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1917  and name HB2 ))
 OR {   94}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1917  and name HB2 ))
 ASSI {   95}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1920  and name HG3 ))
      2.900     2.900     3.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.30374E-02 ppm1      1.024 ppm2      1.840 CV     1
 OR {   95}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1922  and name HG2 ))
 OR {   95}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1922  and name HG2 ))
 OR {   95}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1920  and name HG3 ))
 OR {   95}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1922  and name HG2 ))
 ASSI {   96}
   (( segid "B   " and resid 77   and name HG21))
   (  segid "C   " and resid 1910  and name HE% )
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.57289E-02 ppm1      1.020 ppm2      2.003 CV     1
 OR {   96}
   (( segid "B   " and resid 77   and name HG22))
   (  segid "C   " and resid 1910  and name HE% )
 OR {   96}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   96}
   (( segid "B   " and resid 77   and name HG23))
   (  segid "C   " and resid 1910  and name HE% )
 OR {   96}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   96}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {   96}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI {   97}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name HB  ))
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.23244E-02 ppm1      1.019 ppm2      2.171 CV     1
 OR {   97}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name HB  ))
 OR {   97}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name HB  ))
 ASSI {   98}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HB2 ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.60437E-02 ppm1      1.021 ppm2      2.314 CV     1
 OR {   98}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HB3 ))
 OR {   98}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {   99}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HG2 ))
      4.000     2.000     2.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      1.024 ppm2      2.509 CV     1
 OR {   99}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HG2 ))
 ASSI {  100}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HG3 ))
      1.900     0.500     0.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.75646E-02 ppm1      1.020 ppm2      2.561 CV     1
 OR {  100}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {  100}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI {  101}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name HA  ))
      1.800     0.400     0.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.22428E-01 ppm1      1.020 ppm2      3.601 CV     1
 OR {  101}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name HA  ))
 OR {  101}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {  102}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HA  ))
      3.400     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.65270E-02 ppm1      1.022 ppm2      4.251 CV     1
 OR {  102}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HA  ))
 OR {  102}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HA  ))
 OR {  102}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  102}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  102}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  103}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name H   ))
      5.000     3.200     1.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.20455E-02 ppm1      1.159 ppm2      8.807 CV     1
 OR {  103}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name H   ))
 OR {  103}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {  104}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name H   ))
      3.400     1.500     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.30312E-02 ppm1      1.020 ppm2      8.814 CV     1
 OR {  104}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name H   ))
 OR {  104}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {  105}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1917  and name H   ))
      4.100     2.100     1.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.24933E-02 ppm1      1.021 ppm2      8.140 CV     1
 OR {  105}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1917  and name H   ))
 OR {  105}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1917  and name H   ))
 ASSI {  106}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name H   ))
      4.500     2.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.18486E-02 ppm1      1.021 ppm2      7.821 CV     1
 ASSI {  107}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD1%)
      2.400     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16535E-01 ppm1      0.557 ppm2      1.187 CV     1
 OR {  107}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  107}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  108}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD2%)
      2.500     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.12886E-01 ppm1      0.557 ppm2      1.018 CV     1
 OR {  108}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  108}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  109}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1921  and name HD2%)
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.82519E-02 ppm1      0.555 ppm2      0.899 CV     1
 OR {  109}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  109}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1921  and name HD2%)
 ASSI {  110}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1917  and name HB3 ))
      5.000     3.100     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      0.554 ppm2      1.987 CV     1
 OR {  110}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR {  110}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1917  and name HB3 ))
 ASSI {  111}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1918  and name HD3 ))
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.22840E-02 ppm1      0.558 ppm2      1.834 CV     1
 OR {  111}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  111}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  111}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1920  and name HG3 ))
 OR {  111}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1920  and name HG3 ))
 OR {  111}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1920  and name HG3 ))
 ASSI {  112}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1917  and name HB2 ))
      5.200     3.400     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1      0.559 ppm2      1.638 CV     1
 OR {  112}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1917  and name HB2 ))
 OR {  112}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1917  and name HB2 ))
 ASSI {  113}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1917  and name HA  ))
      4.500     2.600     1.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.31092E-02 ppm1      0.557 ppm2      4.262 CV     1
 OR {  113}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {  113}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1917  and name HA  ))
 ASSI {  114}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD1%)
      4.000     2.000     2.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.38918E-02 ppm1      0.415 ppm2      1.187 CV     1
 OR {  114}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  114}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  115}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD2%)
      3.300     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.48022E-02 ppm1      0.415 ppm2      1.019 CV     1
 OR {  115}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  115}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  116}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1921  and name HD2%)
      3.000     1.100     1.100 peak   116 spectrum    1 weight  0.10000E+01 volume  0.44226E-02 ppm1      0.413 ppm2      0.895 CV     1
 OR {  116}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  116}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1921  and name HD2%)
 ASSI {  117}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "C   " and resid 1917  and name HA  ))
      4.700     2.800     1.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.15475E-02 ppm1      0.415 ppm2      4.264 CV     1
 OR {  117}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {  117}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "C   " and resid 1917  and name HA  ))
 ASSI {  118}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1921  and name HD1%)
      3.500     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.78927E-02 ppm1      0.555 ppm2      0.933 CV     1
 OR {  118}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  118}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  119}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1921  and name HD1%)
      3.600     1.700     1.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.35371E-02 ppm1      0.413 ppm2      0.927 CV     1
 OR {  119}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  119}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  120}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1926  and name HD2%)
      2.300     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.14766E-01 ppm1      0.901 ppm2      0.886 CV     1
 OR {  120}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1926  and name HD2%)
 OR {  120}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1926  and name HD2%)
 OR {  120}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  120}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1921  and name HD2%)
 ASSI {  121}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1926  and name HD1%)
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12424E-01 ppm1      0.901 ppm2      0.933 CV     1
 OR {  121}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1926  and name HD1%)
 OR {  121}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  122}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1929  and name HG2%)
      2.700     2.700     3.300 peak   122 spectrum    1 weight  0.10000E+01 volume  0.24756E-02 ppm1      0.901 ppm2      0.781 CV     1
 OR {  122}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1929  and name HG2%)
 OR {  122}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1929  and name HG2%)
 ASSI {  123}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1917  and name HD2%)
      4.200     2.200     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.30188E-02 ppm1      0.901 ppm2      1.024 CV     1
 OR {  123}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  123}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  124}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HG2 ))
      3.400     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.26849E-02 ppm1      0.901 ppm2      1.352 CV     1
 OR {  124}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR {  124}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI {  125}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1926  and name HD1%)
      2.700     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.22281E-02 ppm1      0.826 ppm2      0.948 CV     1
 OR {  125}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1926  and name HD1%)
 OR {  125}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  126}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1926  and name HD2%)
      4.700     2.700     1.300 peak   126 spectrum    1 weight  0.10000E+01 volume  0.23310E-02 ppm1      0.828 ppm2      0.872 CV     1
 OR {  126}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1926  and name HD2%)
 OR {  126}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1926  and name HD2%)
 ASSI {  127}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HG2 ))
      3.300     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.21350E-02 ppm1      0.828 ppm2      1.351 CV     1
 OR {  127}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR {  127}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI {  128}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1926  and name HG  ))
      4.800     2.900     1.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      0.901 ppm2      1.692 CV     1
 OR {  128}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1926  and name HG  ))
 OR {  128}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1926  and name HG  ))
 OR {  128}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI {  129}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HG3 ))
      4.000     2.000     2.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      0.826 ppm2      1.613 CV     1
 OR {  129}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HG3 ))
 OR {  129}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HG3 ))
 ASSI {  130}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1926  and name HB2 ))
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.19590E-02 ppm1      0.900 ppm2      1.849 CV     1
 OR {  130}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1926  and name HB2 ))
 OR {  130}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1926  and name HB2 ))
 ASSI {  131}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1921  and name HA  ))
      5.000     3.100     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.14074E-02 ppm1      0.901 ppm2      4.253 CV     1
 OR {  131}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1921  and name HA  ))
 OR {  131}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1921  and name HA  ))
 ASSI {  133}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.900     3.000     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13617E-02 ppm1      0.901 ppm2      3.699 CV     1
 OR {  133}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR {  133}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI {  134}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HD2 ))
      3.600     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.17714E-02 ppm1      0.904 ppm2      3.247 CV     1
 OR {  134}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR {  134}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI {  135}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.000     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      0.900 ppm2      3.095 CV     1
 OR {  135}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR {  135}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1928  and name HB2 ))
 ASSI {  136}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.600     2.600     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      0.825 ppm2      3.710 CV     1
 OR {  136}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI {  137}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1927  and name HD2 ))
      4.200     2.200     1.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.14806E-02 ppm1      0.829 ppm2      3.250 CV     1
 OR {  137}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR {  137}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI {  138}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.200     1.300     1.300 peak   138 spectrum    1 weight  0.10000E+01 volume  0.92806E-03 ppm1      0.826 ppm2      3.085 CV     1
 OR {  138}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR {  138}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1928  and name HB2 ))
 ASSI {  139}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.10491E-01 ppm1      0.901 ppm2      7.290 CV     1
 OR {  139}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  139}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  139}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  139}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  140}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.200     1.300     1.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.52234E-02 ppm1      0.901 ppm2      7.205 CV     1
 OR {  140}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  140}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  141}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.59949E-02 ppm1      0.831 ppm2      7.292 CV     1
 OR {  141}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  141}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  141}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  141}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  142}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
      4.000     2.000     2.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.42395E-02 ppm1      0.830 ppm2      7.206 CV     1
 OR {  142}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  142}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  143}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1917  and name HD1%)
      5.200     3.400     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12447E-02 ppm1      0.902 ppm2      1.182 CV     1
 OR {  143}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  143}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  144}
   (( segid "B   " and resid 46   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
      4.400     2.400     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.51081E-02 ppm1      1.066 ppm2      7.291 CV     1
 OR {  144}
   (( segid "B   " and resid 46   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  144}
   (( segid "B   " and resid 46   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  145}
   (( segid "B   " and resid 46   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
      3.000     1.100     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.17772E-01 ppm1      0.960 ppm2      7.294 CV     1
 OR {  145}
   (( segid "B   " and resid 46   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  145}
   (( segid "B   " and resid 46   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  146}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
      4.000     2.000     2.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.27727E-02 ppm1      0.961 ppm2      7.207 CV     1
 OR {  146}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  147}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "C   " and resid 1928  and name HA  ))
      4.100     2.100     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.30223E-02 ppm1      0.959 ppm2      5.319 CV     1
 OR {  147}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "C   " and resid 1928  and name HA  ))
 OR {  147}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "C   " and resid 1928  and name HA  ))
 ASSI {  148}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "C   " and resid 1927  and name HG2 ))
      4.300     2.300     1.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      0.962 ppm2      1.366 CV     1
 OR {  148}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR {  148}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI {  149}
   (( segid "B   " and resid 46   and name HD22))
   (  segid "C   " and resid 1929  and name HG2%)
      4.000     2.000     2.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.34027E-02 ppm1      0.959 ppm2      0.785 CV     1
 ASSI {  151}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1929  and name HG1%)
      4.900     3.000     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      1.040 ppm2      0.887 CV     1
 OR {  151}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  151}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  152}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1927  and name HB2 ))
      5.100     3.300     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      1.039 ppm2      1.894 CV     1
 OR {  152}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  152}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  152}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR {  152}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI {  154}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
      2.600     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.82829E-02 ppm1      1.040 ppm2      7.292 CV     1
 OR {  154}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  154}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  154}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  154}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  155}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.600     1.600     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.43175E-02 ppm1      1.039 ppm2      7.205 CV     1
 OR {  155}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  155}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  156}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.78129E-02 ppm1      1.039 ppm2      7.290 CV     1
 OR {  156}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  156}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  156}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  156}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  157}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.400     1.400     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.42186E-02 ppm1      1.040 ppm2      7.207 CV     1
 OR {  157}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  157}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  158}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1929  and name HG2%)
      5.400     3.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.12602E-02 ppm1      1.036 ppm2      0.784 CV     1
 OR {  158}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "C   " and resid 1929  and name HG2%)
 OR {  158}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1929  and name HG2%)
 ASSI {  159}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1930  and name HG2%)
      4.700     2.800     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.16020E-02 ppm1     -0.163 ppm2      1.022 CV     1
 OR {  159}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  159}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1930  and name HG2%)
 ASSI {  160}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1929  and name HG1%)
      4.300     2.300     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.45184E-02 ppm1     -0.163 ppm2      0.888 CV     1
 OR {  160}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  160}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  161}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1929  and name HG2%)
      2.900     2.900     3.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.15347E-02 ppm1     -0.167 ppm2      0.789 CV     1
 OR {  161}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1929  and name HG2%)
 ASSI {  162}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1929  and name HG1%)
      5.000     3.100     1.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.17887E-02 ppm1      0.255 ppm2      0.895 CV     1
 OR {  162}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  162}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  163}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1926  and name HD1%)
      4.800     2.900     1.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.16597E-02 ppm1      0.255 ppm2      0.935 CV     1
 OR {  163}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1926  and name HD1%)
 OR {  163}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  164}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1930  and name HG2%)
      3.200     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.24601E-02 ppm1      0.255 ppm2      1.025 CV     1
 OR {  164}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  164}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1930  and name HG2%)
 ASSI {  166}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.76311E-02 ppm1     -0.163 ppm2      7.293 CV     1
 OR {  166}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  166}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  166}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  167}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.23004E-02 ppm1     -0.163 ppm2      7.203 CV     1
 OR {  167}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  167}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  168}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1928  and name HE% )
      3.700     1.700     1.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.30307E-02 ppm1      0.253 ppm2      7.288 CV     1
 OR {  168}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  168}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  168}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  169}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "C   " and resid 1928  and name HZ  ))
      5.000     3.100     1.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18136E-02 ppm1      0.258 ppm2      7.204 CV     1
 OR {  169}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  169}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  172}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1926  and name HD1%)
      5.000     3.100     1.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.96531E-03 ppm1     -0.163 ppm2      0.939 CV     1
 OR {  172}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1926  and name HD1%)
 OR {  172}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  173}
   (( segid "A   " and resid 85   and name HG2 ))
   (  segid "C   " and resid 1903  and name HB% )
      3.400     1.500     1.500 peak   173 spectrum    1 weight  0.10000E+01 volume  0.27421E-02 ppm1      2.738 ppm2      1.597 CV     1
 ASSI {  174}
   (( segid "A   " and resid 85   and name HG3 ))
   (  segid "C   " and resid 1903  and name HB% )
      3.900     1.900     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.19116E-02 ppm1      2.486 ppm2      1.596 CV     1
 ASSI {  175}
   (( segid "A   " and resid 85   and name HA  ))
   (  segid "C   " and resid 1903  and name HB% )
      5.100     3.200     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      4.292 ppm2      1.592 CV     1
 ASSI {  176}
   (( segid "A   " and resid 85   and name HB2 ))
   (  segid "C   " and resid 1903  and name HB% )
      3.800     1.800     1.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.16916E-02 ppm1      2.577 ppm2      1.598 CV     1
 ASSI {  177}
   (( segid "A   " and resid 85   and name HB3 ))
   (  segid "C   " and resid 1903  and name HB% )
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.24015E-02 ppm1      2.267 ppm2      1.597 CV     1
 ASSI {  178}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1900  and name HD1%)
      2.100     0.500     0.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.31283E-01 ppm1      2.187 ppm2      0.958 CV     1
 OR {  178}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  178}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  179}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1900  and name HD2%)
      2.900     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.90323E-02 ppm1      2.186 ppm2      1.091 CV     1
 OR {  179}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  179}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  180}
   (( segid "A   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1903  and name HB% )
      2.000     0.500     0.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.25625E-01 ppm1      2.187 ppm2      1.598 CV     1
 OR {  180}
   (( segid "A   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1903  and name HB% )
 OR {  180}
   (( segid "A   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {  181}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1898  and name HG2 ))
      2.800     2.800     3.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.19732E-02 ppm1      2.186 ppm2      1.762 CV     1
 OR {  181}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 OR {  181}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1898  and name HG3 ))
 OR {  181}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1898  and name HG3 ))
 OR {  181}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 ASSI {  183}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1899  and name HG3 ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.46470E-02 ppm1      2.186 ppm2      2.333 CV     1
 OR {  183}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1899  and name HG3 ))
 OR {  183}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1899  and name HG3 ))
 ASSI {  184}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1899  and name HG2 ))
      3.400     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.89791E-02 ppm1      2.186 ppm2      2.501 CV     1
 OR {  184}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1899  and name HG2 ))
 OR {  184}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1899  and name HG2 ))
 ASSI {  185}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1899  and name HB3 ))
      2.600     0.800     0.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      2.186 ppm2      1.936 CV     1
 OR {  185}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1899  and name HB3 ))
 OR {  185}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1899  and name HB3 ))
 ASSI {  186}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1900  and name HA  ))
      3.200     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.76223E-02 ppm1      2.186 ppm2      4.196 CV     1
 OR {  186}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1900  and name HA  ))
 OR {  186}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1900  and name HA  ))
 ASSI {  187}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.600     1.600     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.73961E-02 ppm1      2.187 ppm2      4.346 CV     1
 OR {  187}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1903  and name HA  ))
 ASSI {  190}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1899  and name H   ))
      2.900     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.15120E-02 ppm1      2.185 ppm2      8.724 CV     1
 OR {  190}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1899  and name H   ))
 OR {  190}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1899  and name H   ))
 ASSI {  192}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1903  and name H   ))
      4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.26795E-02 ppm1      2.187 ppm2      8.141 CV     1
 ASSI {  193}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1929  and name HG2%)
      2.500     2.500     3.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.39246E-02 ppm1      2.098 ppm2      0.784 CV     1
 OR {  193}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1929  and name HG2%)
 ASSI {  194}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.18934E-01 ppm1      2.098 ppm2      0.887 CV     1
 OR {  194}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  195}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1930  and name HG2%)
      2.300     0.700     0.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.22463E-01 ppm1      2.098 ppm2      1.027 CV     1
 OR {  195}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  195}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1930  and name HG2%)
 ASSI {  196}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.200     0.600     0.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.31425E-01 ppm1      2.098 ppm2      0.935 CV     1
 OR {  196}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  196}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  197}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1918  and name HG2 ))
      3.100     1.200     1.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      2.098 ppm2      1.548 CV     1
 ASSI {  198}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1922  and name HG2 ))
      3.000     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.52544E-02 ppm1      2.098 ppm2      1.829 CV     1
 OR {  198}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name HG2 ))
 ASSI {  199}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name HB3 ))
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.76932E-02 ppm1      2.098 ppm2      1.688 CV     1
 OR {  199}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 OR {  199}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI {  200}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1930  and name HB  ))
      3.300     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.69882E-02 ppm1      2.099 ppm2      1.926 CV     1
 OR {  200}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1930  and name HB  ))
 OR {  200}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1930  and name HB  ))
 ASSI {  201}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name HB2 ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.64073E-02 ppm1      2.100 ppm2      1.978 CV     1
 OR {  201}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 OR {  201}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name HB2 ))
 OR {  201}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 OR {  201}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1921  and name HB2 ))
 OR {  201}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI {  207}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HB3 ))
      2.500     2.500     3.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.42829E-02 ppm1      2.098 ppm2      3.032 CV     1
 OR {  207}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HB3 ))
 ASSI {  208}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HB2 ))
      2.600     2.600     3.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.34373E-02 ppm1      2.100 ppm2      3.089 CV     1
 OR {  208}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HB2 ))
 ASSI {  209}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1922  and name HD2 ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.55693E-02 ppm1      2.098 ppm2      3.322 CV     1
 OR {  209}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1922  and name HD3 ))
 OR {  209}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name HD2 ))
 OR {  209}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1922  and name HD3 ))
 ASSI {  211}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.900     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.42381E-02 ppm1      2.098 ppm2      3.915 CV     1
 ASSI {  212}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.69128E-02 ppm1      2.098 ppm2      4.412 CV     1
 OR {  212}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1929  and name HA  ))
 OR {  212}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1929  and name HA  ))
 ASSI {  213}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1930  and name HA  ))
      3.300     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.59329E-02 ppm1      2.098 ppm2      4.323 CV     1
 OR {  213}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1930  and name HA  ))
 OR {  213}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1930  and name HA  ))
 ASSI {  214}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name HA  ))
      3.700     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.34458E-02 ppm1      2.098 ppm2      4.249 CV     1
 OR {  214}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name HA  ))
 ASSI {  216}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.800     1.800     1.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.44386E-02 ppm1      2.099 ppm2      7.205 CV     1
 OR {  216}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  216}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  217}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1928  and name HE% )
      2.400     0.700     0.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.13165E-01 ppm1      2.098 ppm2      7.295 CV     1
 OR {  217}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  217}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  217}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  217}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  218}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1922  and name H   ))
      3.500     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.18167E-02 ppm1      2.098 ppm2      7.684 CV     1
 ASSI {  219}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1930  and name H   ))
      3.200     1.300     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.36147E-02 ppm1      2.099 ppm2      8.006 CV     1
 OR {  219}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1930  and name H   ))
 OR {  219}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1930  and name H   ))
 ASSI {  220}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1921  and name H   ))
      2.800     2.800     3.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.18991E-02 ppm1      2.099 ppm2      8.311 CV     1
 OR {  220}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1921  and name H   ))
 ASSI {  221}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1929  and name H   ))
      4.500     2.600     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.10979E-02 ppm1      2.101 ppm2      8.582 CV     1
 OR {  221}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1929  and name H   ))
 ASSI {  222}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name H   ))
      4.800     2.800     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      2.225 ppm2      8.153 CV     1
 OR {  222}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name H   ))
 OR {  222}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  224}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1906  and name HB  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.39685E-02 ppm1      2.224 ppm2      4.596 CV     1
 OR {  224}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1906  and name HB  ))
 OR {  224}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1906  and name HB  ))
 ASSI {  225}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1903  and name HA  ))
      4.000     2.000     2.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.12216E-02 ppm1      2.223 ppm2      4.338 CV     1
 OR {  225}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1903  and name HA  ))
 ASSI {  226}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name HA  ))
      4.500     2.600     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.222 ppm2      4.258 CV     1
 OR {  226}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name HA  ))
 OR {  226}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  227}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1907  and name HA  ))
      2.900     2.900     3.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.15085E-02 ppm1      2.224 ppm2      3.776 CV     1
 OR {  227}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI {  230}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name HB3 ))
      2.900     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.21692E-01 ppm1      2.223 ppm2      2.558 CV     1
 OR {  230}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {  230}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {  231}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1906  and name HG2%)
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.17533E-01 ppm1      2.223 ppm2      1.303 CV     1
 OR {  231}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1906  and name HG2%)
 OR {  231}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1906  and name HG2%)
 ASSI {  232}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1909  and name HB% )
      4.300     2.300     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.30640E-02 ppm1      2.222 ppm2      1.587 CV     1
 OR {  232}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1909  and name HB% )
 OR {  232}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1909  and name HB% )
 ASSI {  233}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1910  and name HE% )
      1.900     0.400     0.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.50194E-01 ppm1      2.223 ppm2      2.010 CV     1
 OR {  233}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  233}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {  237}
   (( segid "B   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1914  and name HG2%)
      1.600     0.300     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.52101E-01 ppm1      2.144 ppm2      0.986 CV     1
 OR {  237}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1914  and name HG2%)
 OR {  237}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI {  238}
   (( segid "B   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1914  and name HG1%)
      2.200     0.600     0.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.83362E-02 ppm1      2.144 ppm2      1.171 CV     1
 OR {  238}
   (( segid "B   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  238}
   (( segid "B   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  239}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HG3 ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.16318E-01 ppm1      2.144 ppm2      1.542 CV     1
 OR {  239}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HG2 ))
 OR {  239}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HG3 ))
 OR {  239}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HG2 ))
 ASSI {  240}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HD2 ))
      2.100     0.600     0.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.15759E-01 ppm1      2.144 ppm2      1.674 CV     1
 OR {  240}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HD2 ))
 OR {  240}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HD2 ))
 ASSI {  241}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HD3 ))
      2.300     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.20619E-01 ppm1      2.144 ppm2      1.781 CV     1
 OR {  241}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  241}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HD3 ))
 ASSI {  242}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HB3 ))
      1.900     0.500     0.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.14828E-01 ppm1      2.144 ppm2      2.084 CV     1
 OR {  242}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HB3 ))
 OR {  242}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  242}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  242}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1918  and name HB3 ))
 ASSI {  245}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.400     2.400     3.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.44519E-02 ppm1      2.145 ppm2      2.561 CV     1
 OR {  245}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {  245}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI {  248}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.300     1.400     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.29859E-02 ppm1      2.144 ppm2      3.598 CV     1
 OR {  248}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1914  and name HA  ))
 OR {  248}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {  249}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.700     1.700     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.54717E-02 ppm1      2.144 ppm2      3.915 CV     1
 OR {  249}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HA  ))
 ASSI {  250}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1915  and name HB2 ))
      3.700     1.700     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.69394E-02 ppm1      2.144 ppm2      4.097 CV     1
 OR {  250}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1915  and name HB2 ))
 OR {  250}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1915  and name HB2 ))
 ASSI {  251}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1911  and name HA  ))
      3.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.26148E-02 ppm1      2.145 ppm2      4.255 CV     1
 OR {  251}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1921  and name HA  ))
 OR {  251}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1921  and name HA  ))
 OR {  251}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  251}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  253}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1916  and name H   ))
      4.600     2.600     1.400 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12008E-02 ppm1      2.145 ppm2      7.842 CV     1
 OR {  253}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1916  and name H   ))
 OR {  253}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1916  and name H   ))
 ASSI {  254}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1919  and name H   ))
      4.200     2.200     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.13387E-02 ppm1      2.145 ppm2      7.486 CV     1
 ASSI {  255}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1915  and name H   ))
      4.200     2.200     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.17054E-02 ppm1      2.142 ppm2      8.442 CV     1
 OR {  255}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1915  and name H   ))
 OR {  255}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1915  and name H   ))
 ASSI {  256}
   (( segid "A   " and resid 83   and name HB3 ))
   (  segid "C   " and resid 1910  and name HE% )
      4.400     2.400     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.25026E-02 ppm1      1.746 ppm2      2.025 CV     1
 OR {  256}
   (( segid "A   " and resid 83   and name HB2 ))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  256}
   (( segid "A   " and resid 83   and name HB1 ))
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {  259}
   (( segid "A   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1904  and name HG2%)
      3.600     1.700     1.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.22313E-02 ppm1      3.309 ppm2      1.485 CV     1
 ASSI {  260}
   (( segid "A   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1904  and name HG2%)
      3.700     1.800     1.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      2.789 ppm2      1.489 CV     1
 ASSI {  261}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      3.900     1.900     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.15963E-02 ppm1      4.240 ppm2      2.012 CV     1
 OR {  261}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  262}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HG  ))
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.36945E-02 ppm1      4.238 ppm2      2.902 CV     1
 ASSI {  263}
   (( segid "A   " and resid 81   and name HB2 ))
   (( segid "A   " and resid 81   and name HG  ))
      2.900     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.31247E-02 ppm1      3.312 ppm2      2.902 CV     1
 ASSI {  264}
   (( segid "A   " and resid 81   and name HB3 ))
   (( segid "A   " and resid 81   and name HG  ))
      3.300     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.38045E-02 ppm1      2.781 ppm2      2.902 CV     1
 ASSI {  265}
   (( segid "A   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1903  and name HB% )
      4.400     2.400     1.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.99546E-03 ppm1      2.778 ppm2      1.598 CV     1
 OR {  265}
   (( segid "A   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1909  and name HB% )
 ASSI {  266}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1921  and name HD1%)
      3.100     1.200     1.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.25381E-02 ppm1      3.164 ppm2      0.928 CV     1
 ASSI {  267}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.600     2.600     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14845E-02 ppm1      3.160 ppm2      1.179 CV     1
 OR {  267}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  268}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 81   and name HG  ))
      3.300     1.400     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.17475E-02 ppm1      4.379 ppm2      2.560 CV     1
 ASSI {  269}
   (( segid "B   " and resid 81   and name HB2 ))
   (( segid "B   " and resid 81   and name HG  ))
      2.900     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.31367E-02 ppm1      3.163 ppm2      2.558 CV     1
 ASSI {  271}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.30325E-02 ppm1      2.566 ppm2      0.931 CV     1
 OR {  271}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  272}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.400     2.400     1.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.18020E-02 ppm1      2.567 ppm2      1.188 CV     1
 OR {  272}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  272}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  273}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.500     1.500     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.90101E-03 ppm1      4.374 ppm2      1.000 CV     1
 ASSI {  274}
   (( segid "A   " and resid 80   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      4.600     2.600     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.17151E-02 ppm1      3.960 ppm2      2.011 CV     1
 OR {  274}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  275}
   (( segid "A   " and resid 80   and name HB2 ))
   (  segid "C   " and resid 1910  and name HE% )
      3.800     1.800     1.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.19701E-02 ppm1      4.258 ppm2      2.007 CV     1
 OR {  275}
   (( segid "A   " and resid 80   and name HB2 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  276}
   (( segid "A   " and resid 80   and name HB3 ))
   (  segid "C   " and resid 1910  and name HE% )
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17462E-02 ppm1      3.431 ppm2      2.012 CV     1
 OR {  276}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  283}
   (( segid "B   " and resid 80   and name HB2 ))
   (  segid "C   " and resid 1914  and name HG1%)
      5.300     3.600     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13187E-02 ppm1      4.306 ppm2      1.169 CV     1
 ASSI {  284}
   (( segid "B   " and resid 80   and name HB3 ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.900     3.000     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.13112E-02 ppm1      3.420 ppm2      1.169 CV     1
 ASSI {  286}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "C   " and resid 1904  and name HG2%)
      3.400     1.400     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.21115E-02 ppm1      4.282 ppm2      1.485 CV     1
 ASSI {  288}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.24920E-02 ppm1      3.439 ppm2      2.009 CV     1
 OR {  288}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  290}
   (( segid "A   " and resid 77   and name HG11))
   (  segid "C   " and resid 1907  and name HB% )
      4.400     2.500     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.36462E-02 ppm1      0.960 ppm2      1.647 CV     1
 OR {  290}
   (( segid "A   " and resid 77   and name HG12))
   (  segid "C   " and resid 1907  and name HB% )
 OR {  290}
   (( segid "A   " and resid 77   and name HG13))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {  292}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1908  and name HA  ))
      4.700     2.800     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.14207E-02 ppm1      0.961 ppm2      4.439 CV     1
 OR {  292}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1908  and name HA  ))
 OR {  292}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1908  and name HA  ))
 ASSI {  293}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1917  and name H   ))
      5.300     3.500     0.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.98083E-03 ppm1      1.159 ppm2      8.135 CV     1
 OR {  293}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1917  and name H   ))
 OR {  293}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1917  and name H   ))
 ASSI {  294}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name H   ))
      5.900     4.400     0.100 peak   294 spectrum    1 weight  0.10000E+01 volume  0.13551E-02 ppm1      1.160 ppm2      7.807 CV     1
 OR {  294}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name H   ))
 OR {  294}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI {  295}
   (( segid "B   " and resid 77   and name HA  ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.100     2.100     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.57998E-02 ppm1      3.423 ppm2      1.171 CV     1
 OR {  295}
   (( segid "B   " and resid 77   and name HA  ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  296}
   (( segid "B   " and resid 77   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.31824E-02 ppm1      3.425 ppm2      2.009 CV     1
 OR {  296}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  297}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "C   " and resid 1910  and name HG2 ))
      5.000     3.100     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.14198E-02 ppm1      3.156 ppm2      1.978 CV     1
 OR {  297}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  298}
   (( segid "A   " and resid 76   and name HB3 ))
   (( segid "C   " and resid 1910  and name HG2 ))
      5.100     3.200     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      2.550 ppm2      1.985 CV     1
 OR {  298}
   (( segid "A   " and resid 76   and name HB3 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  299}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
      4.700     2.800     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.24977E-02 ppm1      3.571 ppm2      1.992 CV     1
 OR {  299}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {  299}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {  302}
   (( segid "B   " and resid 76   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      4.100     2.100     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.25483E-02 ppm1      3.559 ppm2      2.016 CV     1
 ASSI {  303}
   (( segid "B   " and resid 76   and name HB2 ))
   (  segid "C   " and resid 1910  and name HE% )
      2.900     1.100     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.29642E-02 ppm1      3.106 ppm2      2.019 CV     1
 ASSI {  304}
   (( segid "B   " and resid 76   and name HB3 ))
   (  segid "C   " and resid 1910  and name HE% )
      2.700     0.900     0.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      2.591 ppm2      2.014 CV     1
 ASSI {  305}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HD21))
      4.000     2.000     2.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      4.000 ppm2      7.837 CV     1
 ASSI {  306}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HD22))
      3.500     1.500     1.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      3.998 ppm2      7.435 CV     1
 ASSI {  307}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HD22))
      4.100     2.100     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.15723E-02 ppm1      4.063 ppm2      7.430 CV     1
 ASSI {  308}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HD21))
      4.400     2.500     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.78883E-03 ppm1      4.062 ppm2      7.835 CV     1
 ASSI {  309}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "C   " and resid 1908  and name HA  ))
      4.500     2.600     1.500 peak   309 spectrum    1 weight  0.10000E+01 volume  0.14464E-02 ppm1      4.351 ppm2      4.457 CV     1
 ASSI {  310}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.000     1.100     1.100 peak   310 spectrum    1 weight  0.10000E+01 volume  0.38178E-02 ppm1      4.063 ppm2      4.458 CV     1
 ASSI {  311}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      4.100     2.100     1.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.39805E-02 ppm1      3.996 ppm2      4.458 CV     1
 ASSI {  312}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.16575E-02 ppm1      4.063 ppm2      3.154 CV     1
 ASSI {  313}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1908  and name HB2 ))
      4.000     2.000     2.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      4.065 ppm2      2.922 CV     1
 ASSI {  314}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HB3 ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.16890E-02 ppm1      4.061 ppm2      2.690 CV     1
 ASSI {  315}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HB2 ))
      4.100     2.100     1.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.16672E-02 ppm1      3.995 ppm2      3.157 CV     1
 ASSI {  316}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.000     2.000     2.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16615E-02 ppm1      3.994 ppm2      2.697 CV     1
 ASSI {  317}
   (( segid "A   " and resid 64   and name HB3 ))
   (  segid "C   " and resid 1907  and name HB% )
      5.100     3.200     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.11263E-02 ppm1      4.000 ppm2      1.649 CV     1
 ASSI {  318}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1      4.267 ppm2      1.188 CV     1
 ASSI {  319}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.300     1.400     1.400 peak   319 spectrum    1 weight  0.10000E+01 volume  0.28751E-02 ppm1      4.271 ppm2      1.014 CV     1
 ASSI {  320}
   (( segid "A   " and resid 61   and name HA  ))
   (  segid "C   " and resid 1907  and name HB% )
      4.500     2.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.14393E-02 ppm1      4.451 ppm2      1.647 CV     1
 ASSI {  321}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.000     2.000     2.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      2.333 ppm2      0.930 CV     1
 ASSI {  322}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.000     2.000     2.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.15293E-02 ppm1      2.329 ppm2      1.006 CV     1
 ASSI {  323}
   (( segid "B   " and resid 61   and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.400     2.400     1.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.19936E-02 ppm1      4.555 ppm2      1.021 CV     1
 ASSI {  324}
   (( segid "B   " and resid 61   and name HA  ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.900     3.000     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.10522E-02 ppm1      4.555 ppm2      0.932 CV     1
 ASSI {  325}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "C   " and resid 1926  and name HG  ))
      5.500     3.800     0.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.12646E-02 ppm1      4.554 ppm2      1.705 CV     1
 OR {  325}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI {  326}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "C   " and resid 1920  and name HG3 ))
      4.200     2.300     1.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.17258E-02 ppm1      4.556 ppm2      1.837 CV     1
 ASSI {  327}
   (( segid "A   " and resid 45   and name HB3 ))
   (  segid "C   " and resid 1900  and name HD2%)
      3.400     1.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      2.865 ppm2      1.091 CV     1
 ASSI {  329}
   (( segid "A   " and resid 45   and name HB3 ))
   (  segid "C   " and resid 1900  and name HD1%)
      3.500     1.500     1.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      2.870 ppm2      0.958 CV     1
 ASSI {  343}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1904  and name H   ))
      4.700     2.800     1.300 peak   343 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      0.868 ppm2      7.511 CV     1
 OR {  343}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1904  and name H   ))
 OR {  343}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1904  and name H   ))
 ASSI {  344}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1903  and name H   ))
      5.400     3.700     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      0.863 ppm2      8.158 CV     1
 OR {  344}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1903  and name H   ))
 OR {  344}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1903  and name H   ))
 ASSI {  345}
   (( segid "B   " and resid 58   and name HA  ))
   (  segid "C   " and resid 1926  and name HD2%)
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.32476E-02 ppm1      4.023 ppm2      0.870 CV     1
 ASSI {  346}
   (( segid "B   " and resid 58   and name HA  ))
   (  segid "C   " and resid 1926  and name HD1%)
      5.000     3.100     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.11826E-02 ppm1      4.028 ppm2      0.934 CV     1
 ASSI {  348}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      3.300     1.400     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.31358E-02 ppm1      1.323 ppm2      3.699 CV     1
 OR {  348}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR {  348}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI {  349}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HD2 ))
      4.400     2.400     1.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20792E-02 ppm1      1.324 ppm2      3.247 CV     1
 OR {  349}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HD2 ))
 OR {  349}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HD2 ))
 ASSI {  350}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HG2 ))
      2.500     2.500     3.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.35460E-02 ppm1      1.314 ppm2      2.222 CV     1
 OR {  350}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HG2 ))
 OR {  350}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI {  351}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1900  and name HG  ))
      3.900     1.900     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.20756E-02 ppm1      1.317 ppm2      2.153 CV     1
 OR {  351}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {  351}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {  352}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1900  and name HB3 ))
      4.500     1.200     1.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.93117E-02 ppm1      1.315 ppm2      2.065 CV     1
 OR {  352}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {  352}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {  353}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1897  and name HA  ))
      2.800     2.800     3.200 peak   353 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      1.315 ppm2      4.439 CV     1
 OR {  353}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1897  and name HA  ))
 OR {  353}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1897  and name HA  ))
 ASSI {  355}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
      4.400     2.500     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.33504E-02 ppm1      1.325 ppm2      7.296 CV     1
 OR {  355}
   (( segid "B   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  355}
   (( segid "B   " and resid 54   and name HB2 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  355}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  356}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HA  ))
      4.200     2.200     1.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.17005E-02 ppm1      1.322 ppm2      4.606 CV     1
 OR {  356}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HA  ))
 OR {  356}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HA  ))
 ASSI {  357}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1898  and name HB3 ))
      4.300     2.300     1.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.28525E-02 ppm1      1.322 ppm2      1.943 CV     1
 OR {  357}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1898  and name HB3 ))
 OR {  357}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1898  and name HB3 ))
 ASSI {  358}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HB3 ))
      3.600     1.600     1.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.20463E-02 ppm1      1.325 ppm2      1.890 CV     1
 OR {  358}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR {  358}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR {  358}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  358}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HB2 ))
 ASSI {  359}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HG3 ))
      3.200     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.35375E-02 ppm1      1.321 ppm2      1.611 CV     1
 OR {  359}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HG3 ))
 OR {  359}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1927  and name HG3 ))
 ASSI {  360}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1926  and name HD2%)
      4.400     2.400     1.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      1.324 ppm2      0.868 CV     1
 OR {  360}
   (( segid "B   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1926  and name HD2%)
 OR {  360}
   (( segid "B   " and resid 54   and name HB2 ))
   (  segid "C   " and resid 1926  and name HD2%)
 ASSI {  366}
   (( segid "B   " and resid 50   and name HG21))
   (  segid "C   " and resid 1928  and name HD% )
      4.000     2.000     2.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.33571E-02 ppm1      1.030 ppm2      7.294 CV     1
 OR {  366}
   (( segid "B   " and resid 50   and name HG23))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  366}
   (( segid "B   " and resid 50   and name HG22))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  367}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HG2 ))
      4.100     2.100     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.14610E-02 ppm1      1.027 ppm2      1.353 CV     1
 OR {  367}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR {  367}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI {  368}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HB2 ))
      3.500     1.500     1.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.27403E-02 ppm1      1.028 ppm2      1.876 CV     1
 OR {  368}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  368}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  368}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HB3 ))
 OR {  368}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI {  369}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1927  and name HB2 ))
      3.200     1.300     1.300 peak   369 spectrum    1 weight  0.10000E+01 volume  0.29088E-02 ppm1      1.028 ppm2      1.929 CV     1
 OR {  369}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR {  369}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "C   " and resid 1927  and name HB2 ))
 ASSI {  370}
   (( segid "B   " and resid 47   and name HA2 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.700     2.700     3.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.26481E-02 ppm1      4.179 ppm2      0.883 CV     1
 ASSI {  371}
   (( segid "B   " and resid 47   and name HA2 ))
   (  segid "C   " and resid 1929  and name HG2%)
      4.900     2.900     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      4.173 ppm2      0.783 CV     1
 ASSI {  372}
   (( segid "B   " and resid 47   and name HA3 ))
   (  segid "C   " and resid 1929  and name HG1%)
      2.600     2.600     3.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.30986E-02 ppm1      3.741 ppm2      0.880 CV     1
 ASSI {  373}
   (( segid "B   " and resid 47   and name HA3 ))
   (  segid "C   " and resid 1929  and name HG2%)
      3.300     1.400     1.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.24538E-02 ppm1      3.746 ppm2      0.783 CV     1
 ASSI {  374}
   (( segid "A   " and resid 46   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
      2.300     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.21080E-01 ppm1      0.978 ppm2      1.092 CV     1
 OR {  374}
   (( segid "A   " and resid 46   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  374}
   (( segid "A   " and resid 46   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  375}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "C   " and resid 1927  and name HG2 ))
      4.500     2.500     1.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.23927E-02 ppm1      1.061 ppm2      1.357 CV     1
 OR {  375}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR {  375}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "C   " and resid 1927  and name HG2 ))
 ASSI {  376}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1897  and name HG2 ))
      2.700     2.700     3.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.26773E-02 ppm1      0.979 ppm2      2.225 CV     1
 OR {  376}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1897  and name HG2 ))
 OR {  376}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI {  377}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1900  and name HG  ))
      3.300     1.300     1.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.39725E-02 ppm1      0.976 ppm2      2.154 CV     1
 OR {  377}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {  377}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {  378}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1900  and name HB3 ))
      4.300     2.400     1.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.20645E-02 ppm1      0.978 ppm2      2.072 CV     1
 OR {  378}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {  378}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {  379}
   (( segid "A   " and resid 46   and name HA  ))
   (  segid "C   " and resid 1900  and name HD2%)
      3.400     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.24773E-02 ppm1      4.461 ppm2      1.090 CV     1
 ASSI {  381}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "C   " and resid 1900  and name HD2%)
      4.000     2.000     2.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      3.387 ppm2      1.090 CV     1
 ASSI {  382}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "C   " and resid 1900  and name HD1%)
      4.000     2.000     2.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      3.394 ppm2      0.957 CV     1
 ASSI {  383}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "C   " and resid 1900  and name HD2%)
      5.000     3.100     1.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.11099E-02 ppm1      4.472 ppm2      1.082 CV     1
 ASSI {  384}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "C   " and resid 1900  and name HD1%)
      5.000     3.100     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      4.463 ppm2      0.954 CV     1
 ASSI {  385}
   (( segid "A   " and resid 42   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
      5.200     3.300     0.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      0.874 ppm2      1.096 CV     1
 OR {  385}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  385}
   (( segid "A   " and resid 42   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  386}
   (( segid "A   " and resid 42   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      4.600     2.700     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      0.707 ppm2      1.087 CV     1
 OR {  386}
   (( segid "A   " and resid 42   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  386}
   (( segid "A   " and resid 42   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  387}
   (( segid "A   " and resid 42   and name HD22))
   (  segid "C   " and resid 1900  and name HD1%)
      4.700     2.700     1.300 peak   387 spectrum    1 weight  0.10000E+01 volume  0.17776E-02 ppm1      0.706 ppm2      0.959 CV     1
 OR {  387}
   (( segid "A   " and resid 42   and name HD21))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  387}
   (( segid "A   " and resid 42   and name HD23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  388}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
      5.500     3.700     0.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.10478E-02 ppm1      0.775 ppm2      7.294 CV     1
 OR {  388}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  388}
   (( segid "B   " and resid 42   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  388}
   (( segid "B   " and resid 42   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  388}
   (( segid "B   " and resid 42   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  389}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
      5.000     3.100     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.16956E-02 ppm1      0.685 ppm2      7.290 CV     1
 OR {  389}
   (( segid "B   " and resid 42   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  389}
   (( segid "B   " and resid 42   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  389}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  390}
   (( segid "B   " and resid 50   and name HA  ))
   (  segid "C   " and resid 1928  and name HD% )
      4.600     2.700     1.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.20224E-02 ppm1      4.230 ppm2      7.297 CV     1
 OR {  390}
   (( segid "B   " and resid 50   and name HA  ))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  391}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1910  and name HB2 ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.74050E-02 ppm1      2.224 ppm2      2.274 CV     1
 OR {  391}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1910  and name HB2 ))
 OR {  391}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI {  392}
   (( segid "A   " and resid 46   and name HD23))
   (  segid "C   " and resid 1900  and name HD1%)
      3.800     1.800     1.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.43060E-02 ppm1      0.978 ppm2      0.954 CV     1
 OR {  392}
   (( segid "A   " and resid 46   and name HD21))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  392}
   (( segid "A   " and resid 46   and name HD22))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  396}
   (( segid "A   " and resid 13   and name HG12))
   (  segid "C   " and resid 1934  and name HE% )
      4.600     2.600     1.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      1.286 ppm2      2.148 CV     1
 OR {  396}
   (( segid "A   " and resid 13   and name HG13))
   (  segid "C   " and resid 1934  and name HE% )
 OR {  396}
   (( segid "A   " and resid 13   and name HG11))
   (  segid "C   " and resid 1934  and name HE% )
 ASSI {    1}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.900     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.34900E-02 ppm1      7.045 ppm2      5.321 CV     1
 ASSI {    2}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.600     1.600     1.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.36359E-02 ppm1      7.042 ppm2      3.071 CV     1
 ASSI {    3}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HB3 ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.52611E-02 ppm1      7.042 ppm2      3.021 CV     1
 ASSI {    4}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1928  and name HB2 ))
      2.700     0.900     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.74905E-02 ppm1      7.303 ppm2      3.093 CV     1
 ASSI {    5}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1928  and name HB3 ))
      2.200     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.78551E-02 ppm1      7.303 ppm2      3.030 CV     1
 ASSI {    6}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.33337E-02 ppm1      8.587 ppm2      4.422 CV     1
 ASSI {    7}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1929  and name HB  ))
      3.500     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.39588E-02 ppm1      8.586 ppm2      2.005 CV     1
 ASSI {    8}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      8.586 ppm2      0.883 CV     1
 ASSI {    9}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      2.800     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.78239E-02 ppm1      8.586 ppm2      0.786 CV     1
 ASSI {   10}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.24586E-02 ppm1      8.584 ppm2      3.083 CV     1
 ASSI {   11}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HB3 ))
      4.500     2.600     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.24274E-02 ppm1      8.583 ppm2      3.028 CV     1
 ASSI {   12}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.82302E-02 ppm1      8.584 ppm2      5.320 CV     1
 ASSI {   13}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name H   ))
      4.800     2.900     1.200 peak    13 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      8.593 ppm2      7.039 CV     1
 ASSI {   15}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.100     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.21805E-01 ppm1      8.009 ppm2      4.424 CV     1
 ASSI {   16}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name H   ))
      4.200     2.200     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13543E-02 ppm1      8.008 ppm2      8.575 CV     1
 ASSI {   17}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1930  and name HA  ))
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.71155E-02 ppm1      8.010 ppm2      4.329 CV     1
 ASSI {   18}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      3.800     1.800     1.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.48860E-02 ppm1      8.008 ppm2      0.786 CV     1
 ASSI {   19}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
      3.500     1.600     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.89282E-02 ppm1      8.007 ppm2      0.883 CV     1
 ASSI {   20}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name HB  ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.84802E-02 ppm1      8.008 ppm2      2.004 CV     1
 ASSI {   21}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1930  and name HB  ))
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.96679E-02 ppm1      8.009 ppm2      1.926 CV     1
 ASSI {   22}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1930  and name HG2%)
      2.500     0.800     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13002E-01 ppm1      8.009 ppm2      1.030 CV     1
 ASSI {   23}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1930  and name HG1%)
      3.400     1.400     1.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.52819E-02 ppm1      8.011 ppm2      0.961 CV     1
 ASSI {   24}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HD3 ))
      5.100     3.300     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.94803E-03 ppm1      7.033 ppm2      3.692 CV     1
 ASSI {   25}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HD2 ))
      3.600     1.700     1.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12085E-02 ppm1      7.040 ppm2      3.257 CV     1
 ASSI {   26}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HB2 ))
      3.600     1.600     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.25316E-02 ppm1      7.043 ppm2      1.866 CV     1
 OR {   26}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI {   27}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HG3 ))
      4.800     2.900     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.15002E-02 ppm1      7.043 ppm2      1.608 CV     1
 ASSI {   28}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HG2 ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.21565E-02 ppm1      7.042 ppm2      1.347 CV     1
 ASSI {   29}
   (( segid "C   " and resid 1927  and name HB3 ))
   (( segid "C   " and resid 1927  and name HA  ))
      3.200     1.300     1.300 peak    29 spectrum    1 weight  0.10000E+01 volume  0.31046E-02 ppm1      1.887 ppm2      4.604 CV     1
 OR {   29}
   (( segid "C   " and resid 1927  and name HB2 ))
   (( segid "C   " and resid 1927  and name HA  ))
 ASSI {   30}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HA  ))
      3.500     1.500     1.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.28128E-02 ppm1      8.253 ppm2      4.576 CV     1
 ASSI {   31}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HB2 ))
      3.200     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.63237E-02 ppm1      8.253 ppm2      2.696 CV     1
 OR {   31}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HB3 ))
 ASSI {   32}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HA  ))
      3.100     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.44485E-02 ppm1      7.989 ppm2      4.576 CV     1
 ASSI {   33}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HB3 ))
      3.900     1.900     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.28962E-02 ppm1      7.990 ppm2      2.700 CV     1
 OR {   33}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HB2 ))
 ASSI {   34}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HB2 ))
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.57507E-02 ppm1      7.990 ppm2      1.855 CV     1
 ASSI {   35}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HB3 ))
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.38026E-02 ppm1      7.991 ppm2      1.348 CV     1
 ASSI {   36}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.52611E-02 ppm1      7.990 ppm2      1.688 CV     1
 ASSI {   37}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1926  and name HD1%)
      2.900     1.100     1.100 peak    37 spectrum    1 weight  0.10000E+01 volume  0.99387E-02 ppm1      1.346 ppm2      0.949 CV     1
 ASSI {   38}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1926  and name HD2%)
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.80427E-02 ppm1      1.347 ppm2      0.868 CV     1
 ASSI {   39}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1924  and name HA2 ))
      4.200     2.200     1.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      8.252 ppm2      4.097 CV     1
 ASSI {   40}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1924  and name HA3 ))
      3.900     1.900     1.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.25420E-02 ppm1      8.252 ppm2      4.056 CV     1
 ASSI {   41}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name H   ))
      3.300     1.400     1.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      8.036 ppm2      7.615 CV     1
 ASSI {   42}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1922  and name H   ))
      2.600     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.42297E-02 ppm1      8.308 ppm2      7.681 CV     1
 ASSI {   43}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HA  ))
      2.800     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.89594E-02 ppm1      7.683 ppm2      4.392 CV     1
 ASSI {   44}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HD2 ))
      4.600     2.700     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.21148E-02 ppm1      7.686 ppm2      3.323 CV     1
 OR {   44}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HD3 ))
 ASSI {   45}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HB2 ))
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.62091E-02 ppm1      7.683 ppm2      2.095 CV     1
 ASSI {   46}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HB3 ))
      3.300     1.400     1.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.91470E-02 ppm1      7.685 ppm2      2.008 CV     1
 ASSI {   47}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HG3 ))
      4.000     2.000     2.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.43651E-02 ppm1      7.684 ppm2      1.910 CV     1
 ASSI {   48}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HG2 ))
      3.900     1.900     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.36984E-02 ppm1      7.682 ppm2      1.827 CV     1
 ASSI {   49}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HB3 ))
      2.600     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.13908E-01 ppm1      7.619 ppm2      2.071 CV     1
 ASSI {   50}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HB2 ))
      2.300     0.700     0.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.14919E-01 ppm1      7.619 ppm2      1.955 CV     1
 ASSI {   51}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HG3 ))
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.65425E-02 ppm1      7.620 ppm2      1.829 CV     1
 ASSI {   52}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HG2 ))
      4.100     2.100     1.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.51361E-02 ppm1      7.622 ppm2      1.791 CV     1
 ASSI {   53}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name HB3 ))
      3.100     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.45631E-02 ppm1      8.038 ppm2      2.069 CV     1
 ASSI {   54}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name HB2 ))
      4.100     2.100     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.30212E-02 ppm1      8.038 ppm2      1.954 CV     1
 ASSI {   55}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HD2 ))
      4.400     2.400     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.44693E-02 ppm1      7.622 ppm2      3.304 CV     1
 OR {   55}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HD3 ))
 ASSI {   56}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HA  ))
      2.600     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.13439E-01 ppm1      7.621 ppm2      4.404 CV     1
 ASSI {   57}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
      2.600     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.61258E-02 ppm1      8.308 ppm2      4.248 CV     1
 ASSI {   58}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
      3.000     1.100     1.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.39901E-02 ppm1      7.684 ppm2      4.246 CV     1
 ASSI {   59}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      3.600     1.600     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.69800E-02 ppm1      8.309 ppm2      0.927 CV     1
 ASSI {   60}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.71259E-02 ppm1      8.311 ppm2      0.907 CV     1
 ASSI {   61}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name H   ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.54173E-02 ppm1      8.310 ppm2      7.833 CV     1
 ASSI {   62}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      3.500     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.26045E-02 ppm1      8.307 ppm2      4.134 CV     1
 ASSI {   63}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.77614E-02 ppm1      7.831 ppm2      4.134 CV     1
 ASSI {   64}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
      3.600     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.36150E-02 ppm1      8.309 ppm2      1.832 CV     1
 ASSI {   65}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HB2 ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.55424E-02 ppm1      8.310 ppm2      1.935 CV     1
 OR {   65}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HB3 ))
 ASSI {   66}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HG2 ))
      2.300     0.700     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.33650E-02 ppm1      7.835 ppm2      1.531 CV     1
 ASSI {   67}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HG2 ))
      4.500     2.600     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12189E-02 ppm1      8.310 ppm2      1.529 CV     1
 ASSI {   68}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.80739E-02 ppm1      7.835 ppm2      1.830 CV     1
 ASSI {   69}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1920  and name H   ))
      2.500     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.62404E-02 ppm1      7.484 ppm2      7.834 CV     1
 ASSI {   70}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1919  and name HB3 ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1      7.838 ppm2      3.003 CV     1
 ASSI {   71}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1919  and name HB2 ))
      3.700     1.700     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.39172E-02 ppm1      7.837 ppm2      2.953 CV     1
 ASSI {   72}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HB3 ))
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.82406E-02 ppm1      7.485 ppm2      3.001 CV     1
 ASSI {   73}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HB2 ))
      2.500     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.81677E-02 ppm1      7.483 ppm2      2.952 CV     1
 ASSI {   74}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HA  ))
      2.900     1.100     1.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.55944E-02 ppm1      7.484 ppm2      4.582 CV     1
 ASSI {   75}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name H   ))
      2.600     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.44380E-02 ppm1      7.484 ppm2      8.902 CV     1
 ASSI {   77}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.000     1.100     1.100 peak    77 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1      7.485 ppm2      3.912 CV     1
 ASSI {   78}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.300     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.96783E-02 ppm1      8.905 ppm2      3.913 CV     1
 ASSI {   79}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HE2 ))
      5.400     3.700     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      8.904 ppm2      3.046 CV     1
 OR {   79}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HE3 ))
 ASSI {   80}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
      2.700     0.900     0.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10262E-01 ppm1      8.905 ppm2      2.095 CV     1
 ASSI {   81}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      1.900     0.400     0.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10012E-01 ppm1      8.905 ppm2      2.063 CV     1
 ASSI {   82}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.16565E-02 ppm1      8.903 ppm2      1.811 CV     1
 ASSI {   83}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1920  and name HG2 ))
      3.500     1.600     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.32712E-02 ppm1      7.484 ppm2      1.542 CV     1
 OR {   83}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HG2 ))
 OR {   83}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HG3 ))
 ASSI {   84}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HG3 ))
      3.900     1.900     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.41568E-02 ppm1      8.904 ppm2      1.540 CV     1
 OR {   84}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HG2 ))
 ASSI {   85}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
      3.300     1.400     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      7.485 ppm2      1.833 CV     1
 OR {   85}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
 ASSI {   86}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HD2 ))
      4.000     2.000     2.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.55944E-02 ppm1      8.904 ppm2      1.666 CV     1
 ASSI {   87}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1917  and name H   ))
      2.500     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.64487E-02 ppm1      8.907 ppm2      8.139 CV     1
 ASSI {   89}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.300     1.400     1.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.24274E-02 ppm1      8.906 ppm2      4.265 CV     1
 ASSI {   90}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      2.100     0.600     0.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.19825E-01 ppm1      8.140 ppm2      4.265 CV     1
 ASSI {   91}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1917  and name HB3 ))
      2.700     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.25420E-02 ppm1      8.906 ppm2      1.984 CV     1
 ASSI {   92}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1917  and name HB2 ))
      2.500     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.73551E-02 ppm1      8.142 ppm2      1.634 CV     1
 ASSI {   93}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.400     2.400     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.25524E-02 ppm1      8.905 ppm2      1.184 CV     1
 ASSI {   94}
   (( segid "C   " and resid 1917  and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.400     2.400     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.35213E-02 ppm1      8.143 ppm2      1.184 CV     1
 ASSI {   95}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23753E-02 ppm1      8.906 ppm2      1.004 CV     1
 ASSI {   98}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HA  ))
      2.800     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.96366E-02 ppm1      7.854 ppm2      4.378 CV     1
 ASSI {   99}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      2.400     0.700     0.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.18419E-01 ppm1      7.854 ppm2      4.095 CV     1
 ASSI {  100}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HB3 ))
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      7.854 ppm2      4.043 CV     1
 ASSI {  101}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name HB3 ))
      3.000     1.100     1.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.52715E-02 ppm1      8.143 ppm2      4.052 CV     1
 ASSI {  102}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1915  and name H   ))
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.51569E-02 ppm1      7.854 ppm2      8.440 CV     1
 ASSI {  104}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name H   ))
      2.600     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.52506E-02 ppm1      8.443 ppm2      8.813 CV     1
 ASSI {  106}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      2.600     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.57924E-02 ppm1      8.814 ppm2      3.600 CV     1
 ASSI {  107}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1914  and name HB  ))
      2.200     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.83448E-02 ppm1      8.813 ppm2      2.167 CV     1
 ASSI {  109}
   (( segid "C   " and resid 1914  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.800     1.800     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.51256E-02 ppm1      8.814 ppm2      0.988 CV     1
 ASSI {  110}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name HB  ))
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.67925E-02 ppm1      8.445 ppm2      2.164 CV     1
 ASSI {  111}
   (( segid "C   " and resid 1915  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      2.400     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.45526E-02 ppm1      8.443 ppm2      1.170 CV     1
 ASSI {  112}
   (( segid "C   " and resid 1915  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.900     1.900     1.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.52923E-02 ppm1      8.444 ppm2      0.985 CV     1
 ASSI {  113}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.300     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      8.444 ppm2      3.602 CV     1
 ASSI {  114}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1914  and name H   ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.49694E-02 ppm1      7.815 ppm2      8.809 CV     1
 ASSI {  115}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      2.900     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.81364E-02 ppm1      8.814 ppm2      4.248 CV     1
 ASSI {  116}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.14012E-01 ppm1      7.816 ppm2      4.248 CV     1
 ASSI {  117}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.68342E-02 ppm1      7.815 ppm2      2.316 CV     1
 OR {  117}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  118}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.900     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.73863E-02 ppm1      7.814 ppm2      2.565 CV     1
 ASSI {  119}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HG2 ))
      2.000     0.500     0.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.73759E-02 ppm1      7.814 ppm2      2.503 CV     1
 ASSI {  120}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
      3.900     1.900     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.38234E-02 ppm1      8.813 ppm2      2.317 CV     1
 OR {  120}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  121}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.900     1.100     1.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.23440E-02 ppm1      8.812 ppm2      2.564 CV     1
 ASSI {  122}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HG2 ))
      3.700     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.20002E-02 ppm1      8.815 ppm2      2.502 CV     1
 ASSI {  123}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name H   ))
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.69800E-02 ppm1      7.814 ppm2      7.614 CV     1
 ASSI {  125}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.800     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.62404E-02 ppm1      7.618 ppm2      4.248 CV     1
 ASSI {  126}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.12970E-01 ppm1      7.618 ppm2      4.152 CV     1
 ASSI {  127}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.200     1.300     1.300 peak   127 spectrum    1 weight  0.10000E+01 volume  0.46256E-02 ppm1      7.814 ppm2      4.152 CV     1
 ASSI {  128}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HB2 ))
      2.500     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.45839E-02 ppm1      7.815 ppm2      2.151 CV     1
 ASSI {  129}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HB2 ))
      2.600     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.75113E-02 ppm1      7.618 ppm2      2.147 CV     1
 ASSI {  130}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HB3 ))
      3.600     1.600     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.40213E-02 ppm1      7.815 ppm2      2.058 CV     1
 ASSI {  131}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HG3 ))
      5.100     3.300     0.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      7.816 ppm2      1.952 CV     1
 ASSI {  132}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HG2 ))
      2.900     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.35838E-02 ppm1      7.617 ppm2      1.698 CV     1
 ASSI {  133}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HD3 ))
      3.900     1.900     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11668E-02 ppm1      7.613 ppm2      3.399 CV     1
 ASSI {  134}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HD2 ))
      3.400     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.30733E-02 ppm1      7.618 ppm2      3.276 CV     1
 ASSI {  135}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name H   ))
      2.700     0.900     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.49277E-02 ppm1      7.618 ppm2      9.005 CV     1
 ASSI {  137}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.96679E-02 ppm1      9.007 ppm2      4.250 CV     1
 OR {  137}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  138}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.71780E-02 ppm1      9.007 ppm2      3.158 CV     1
 ASSI {  139}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HB3 ))
      2.800     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.66987E-02 ppm1      9.006 ppm2      2.695 CV     1
 ASSI {  140}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HB3 ))
      2.800     1.000     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.39276E-02 ppm1      7.617 ppm2      2.700 CV     1
 ASSI {  141}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.28649E-02 ppm1      7.618 ppm2      3.156 CV     1
 ASSI {  143}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name H   ))
      2.600     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.64800E-02 ppm1      9.007 ppm2      8.141 CV     1
 ASSI {  144}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
      2.200     0.600     0.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17586E-01 ppm1      8.145 ppm2      4.257 CV     1
 ASSI {  145}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
      2.900     1.100     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.28858E-02 ppm1      9.005 ppm2      2.558 CV     1
 ASSI {  146}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
      2.000     0.500     0.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13106E-01 ppm1      8.142 ppm2      2.558 CV     1
 ASSI {  147}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1910  and name HA  ))
      2.300     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.22513E-01 ppm1      2.561 ppm2      4.251 CV     1
 ASSI {  148}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      3.900     1.900     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30629E-02 ppm1      9.005 ppm2      2.271 CV     1
 ASSI {  149}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HG2 ))
      3.500     1.600     1.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.35109E-02 ppm1      9.007 ppm2      1.992 CV     1
 OR {  149}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  150}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.90740E-02 ppm1      8.145 ppm2      2.275 CV     1
 ASSI {  151}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HG2 ))
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.93762E-02 ppm1      8.143 ppm2      1.989 CV     1
 OR {  151}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  152}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name H   ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.88969E-02 ppm1      8.042 ppm2      8.913 CV     1
 ASSI {  153}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      2.500     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.18565E-01 ppm1      8.041 ppm2      4.123 CV     1
 ASSI {  154}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      3.300     1.400     1.400 peak   154 spectrum    1 weight  0.10000E+01 volume  0.73759E-02 ppm1      8.144 ppm2      4.126 CV     1
 ASSI {  155}
   (( segid "C   " and resid 1909  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      2.200     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.38984E-01 ppm1      8.042 ppm2      1.577 CV     1
 ASSI {  156}
   (( segid "C   " and resid 1910  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      2.200     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.27681E-01 ppm1      8.143 ppm2      1.579 CV     1
 ASSI {  158}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.700     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.11960E-01 ppm1      8.915 ppm2      4.453 CV     1
 ASSI {  159}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HB2 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.17283E-01 ppm1      8.915 ppm2      2.930 CV     1
 ASSI {  160}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HB3 ))
      2.500     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.14252E-01 ppm1      8.915 ppm2      2.826 CV     1
 ASSI {  161}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.500     1.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.43235E-02 ppm1      8.045 ppm2      4.447 CV     1
 ASSI {  162}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HB3 ))
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.99179E-02 ppm1      8.041 ppm2      2.827 CV     1
 ASSI {  163}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HB2 ))
      3.700     1.700     1.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.73759E-02 ppm1      8.042 ppm2      2.928 CV     1
 ASSI {  164}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1908  and name H   ))
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.65946E-02 ppm1      7.693 ppm2      8.911 CV     1
 ASSI {  166}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.10741E-01 ppm1      7.693 ppm2      3.772 CV     1
 ASSI {  167}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.200     1.300     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.38755E-02 ppm1      8.916 ppm2      3.772 CV     1
 ASSI {  168}
   (( segid "C   " and resid 1907  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      2.200     0.600     0.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.23472E-01 ppm1      7.693 ppm2      1.648 CV     1
 ASSI {  169}
   (( segid "C   " and resid 1908  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      2.600     0.800     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11689E-01 ppm1      8.913 ppm2      1.648 CV     1
 ASSI {  171}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.500     1.500     1.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.35213E-02 ppm1      7.743 ppm2      4.098 CV     1
 ASSI {  172}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1907  and name H   ))
      2.500     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.10283E-01 ppm1      7.746 ppm2      7.691 CV     1
 ASSI {  174}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name H   ))
      2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.50006E-02 ppm1      7.743 ppm2      7.566 CV     1
 ASSI {  176}
   (( segid "C   " and resid 1906  and name H   ))
   (  segid "C   " and resid 1906  and name HG2%)
      3.400     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.80739E-02 ppm1      7.744 ppm2      1.305 CV     1
 ASSI {  177}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1906  and name HB  ))
      2.600     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14689E-01 ppm1      1.305 ppm2      4.586 CV     1
 ASSI {  178}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1906  and name HA  ))
      6.000     4.600     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.72926E-04 ppm1      7.744 ppm2      4.655 CV     1
 ASSI {  179}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.300     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.18086E-01 ppm1      7.568 ppm2      2.276 CV     1
 OR {  179}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  180}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      3.000     1.100     1.100 peak   180 spectrum    1 weight  0.10000E+01 volume  0.61987E-02 ppm1      7.743 ppm2      2.275 CV     1
 OR {  180}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  181}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      2.600     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.12033E-01 ppm1      7.568 ppm2      4.097 CV     1
 ASSI {  182}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HG3 ))
      3.900     1.900     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.69384E-02 ppm1      7.567 ppm2      2.642 CV     1
 ASSI {  183}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HG2 ))
      4.100     2.100     1.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.61049E-02 ppm1      7.567 ppm2      2.588 CV     1
 ASSI {  184}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HG2 ))
      4.600     2.700     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.18440E-02 ppm1      7.743 ppm2      2.603 CV     1
 ASSI {  185}
   (( segid "C   " and resid 1904  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      2.600     0.800     0.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.50735E-02 ppm1      7.509 ppm2      1.599 CV     1
 ASSI {  186}
   (( segid "C   " and resid 1904  and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      2.900     1.000     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.36984E-02 ppm1      7.508 ppm2      1.489 CV     1
 ASSI {  187}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1903  and name H   ))
      3.100     1.200     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.36671E-02 ppm1      7.507 ppm2      8.147 CV     1
 ASSI {  188}
   (( segid "C   " and resid 1903  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      2.000     0.500     0.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.30264E-01 ppm1      8.146 ppm2      1.600 CV     1
 ASSI {  190}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      2.600     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.11085E-01 ppm1      8.149 ppm2      4.337 CV     1
 ASSI {  191}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.700     1.700     1.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.31879E-02 ppm1      7.512 ppm2      4.335 CV     1
 ASSI {  192}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name HB3 ))
      3.400     1.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.38338E-02 ppm1      8.149 ppm2      2.878 CV     1
 ASSI {  193}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name HB2 ))
      3.500     1.600     1.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.49069E-02 ppm1      8.148 ppm2      2.827 CV     1
 ASSI {  194}
   (( segid "C   " and resid 1935  and name H   ))
   (  segid "C   " and resid 1935  and name HB% )
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.16471E-01 ppm1      8.137 ppm2      1.384 CV     1
 ASSI {  195}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1935  and name HA  ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.24795E-01 ppm1      1.385 ppm2      4.275 CV     1
 ASSI {  196}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HB2 ))
      3.100     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.81885E-02 ppm1      8.125 ppm2      1.741 CV     1
 ASSI {  197}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HB3 ))
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.57195E-02 ppm1      8.125 ppm2      1.787 CV     1
 ASSI {  198}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HG3 ))
      3.400     1.400     1.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.66154E-02 ppm1      8.125 ppm2      1.538 CV     1
 OR {  198}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HG2 ))
 ASSI {  199}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HA  ))
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.13981E-01 ppm1      8.128 ppm2      4.280 CV     1
 ASSI {  201}
   (( segid "C   " and resid 1930  and name HB  ))
   (( segid "C   " and resid 1930  and name HA  ))
      2.300     0.700     0.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12491E-01 ppm1      1.929 ppm2      4.328 CV     1
 ASSI {  202}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1930  and name HA  ))
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.12335E-01 ppm1      1.030 ppm2      4.325 CV     1
 ASSI {  203}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1930  and name HA  ))
      2.300     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.15241E-01 ppm1      0.968 ppm2      4.329 CV     1
 ASSI {  204}
   (( segid "C   " and resid 1930  and name HB  ))
   (  segid "C   " and resid 1930  and name HG1%)
      2.200     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.21430E-01 ppm1      1.931 ppm2      0.959 CV     1
 ASSI {  206}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1930  and name HB  ))
      2.100     0.500     0.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.26170E-01 ppm1      1.029 ppm2      1.929 CV     1
 ASSI {  214}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1929  and name HA  ))
      2.400     0.700     0.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.15179E-01 ppm1      0.884 ppm2      4.423 CV     1
 ASSI {  215}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1929  and name HA  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.85219E-02 ppm1      0.788 ppm2      4.423 CV     1
 ASSI {  216}
   (( segid "C   " and resid 1929  and name HB  ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12585E-01 ppm1      2.004 ppm2      4.426 CV     1
 ASSI {  217}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1929  and name HB  ))
      2.400     0.700     0.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.19669E-01 ppm1      0.788 ppm2      2.003 CV     1
 ASSI {  219}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1928  and name HA  ))
      3.500     1.500     1.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.61674E-02 ppm1      7.305 ppm2      5.319 CV     1
 ASSI {  220}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1928  and name HD% )
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.28649E-02 ppm1      8.583 ppm2      7.302 CV     1
 ASSI {  222}
   (  segid "C   " and resid 1928  and name HD% )
   (  segid "C   " and resid 1929  and name HG2%)
      4.000     2.000     2.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.42818E-02 ppm1      7.305 ppm2      0.787 CV     1
 ASSI {  223}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1927  and name HG2 ))
      3.500     1.500     1.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.27191E-02 ppm1      7.306 ppm2      1.355 CV     1
 OR {  223}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1926  and name HB3 ))
 ASSI {  224}
   (( segid "C   " and resid 1928  and name HZ  ))
   (  segid "C   " and resid 1929  and name HG1%)
      4.300     2.400     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.36775E-02 ppm1      7.207 ppm2      0.880 CV     1
 ASSI {  225}
   (( segid "C   " and resid 1928  and name HZ  ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.600     0.900     0.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.60007E-02 ppm1      7.207 ppm2      0.948 CV     1
 OR {  225}
   (  segid "A   " and resid 45   and name HD% )
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  225}
   (( segid "C   " and resid 1928  and name HZ  ))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  226}
   (( segid "C   " and resid 1928  and name HZ  ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.800     2.900     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15210E-02 ppm1      7.205 ppm2      1.035 CV     1
 OR {  226}
   (( segid "C   " and resid 1928  and name HZ  ))
   (  segid "C   " and resid 1930  and name HG2%)
 ASSI {  227}
   (  segid "C   " and resid 1928  and name HE% )
   (  segid "C   " and resid 1929  and name HG2%)
      4.700     2.800     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.23753E-02 ppm1      7.288 ppm2      0.789 CV     1
 ASSI {  228}
   (  segid "C   " and resid 1928  and name HD% )
   (  segid "C   " and resid 1929  and name HG1%)
      3.600     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.73238E-02 ppm1      7.303 ppm2      0.881 CV     1
 ASSI {  229}
   (  segid "C   " and resid 1928  and name HE% )
   (  segid "C   " and resid 1929  and name HG1%)
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.55736E-02 ppm1      7.285 ppm2      0.881 CV     1
 ASSI {  230}
   (  segid "C   " and resid 1928  and name HD% )
   (  segid "C   " and resid 1926  and name HD1%)
      2.700     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.86573E-02 ppm1      7.302 ppm2      0.949 CV     1
 ASSI {  231}
   (  segid "C   " and resid 1928  and name HE% )
   (  segid "C   " and resid 1926  and name HD1%)
      3.100     1.200     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.69696E-02 ppm1      7.285 ppm2      0.950 CV     1
 ASSI {  232}
   (  segid "C   " and resid 1928  and name HD% )
   (  segid "C   " and resid 1930  and name HG2%)
      3.700     1.700     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.50527E-02 ppm1      7.303 ppm2      1.028 CV     1
 ASSI {  233}
   (  segid "C   " and resid 1928  and name HE% )
   (  segid "C   " and resid 1930  and name HG2%)
      3.800     1.800     1.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.49485E-02 ppm1      7.286 ppm2      1.028 CV     1
 ASSI {  234}
   (  segid "C   " and resid 1928  and name HD% )
   (( segid "C   " and resid 1926  and name HG  ))
      4.900     3.000     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17711E-02 ppm1      7.305 ppm2      1.694 CV     1
 ASSI {  235}
   (( segid "C   " and resid 1919  and name HD22))
   (( segid "C   " and resid 1919  and name HB2 ))
      4.400     2.400     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.27712E-02 ppm1      7.039 ppm2      2.949 CV     1
 ASSI {  236}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1900  and name HD2%)
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.56049E-02 ppm1      7.048 ppm2      1.093 CV     1
 ASSI {  237}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1926  and name HD1%)
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.84073E-02 ppm1      7.042 ppm2      0.954 CV     1
 OR {  237}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  238}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      4.000     2.000     2.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.27399E-02 ppm1      7.044 ppm2      0.877 CV     1
 OR {  238}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  239}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      4.900     3.000     1.100 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13856E-02 ppm1      7.042 ppm2      1.688 CV     1
 ASSI {  242}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD22))
      4.400     2.400     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.16565E-02 ppm1      0.965 ppm2      7.430 CV     1
 OR {  242}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD22))
 OR {  242}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD22))
 ASSI {  243}
   (  segid "C   " and resid 1929  and name HG2%)
   (  segid "C   " and resid 1928  and name HD% )
      4.100     2.100     1.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.50631E-02 ppm1      0.787 ppm2      7.299 CV     1
 OR {  243}
   (  segid "C   " and resid 1929  and name HG2%)
   (  segid "C   " and resid 1928  and name HE% )
 OR {  243}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  243}
   (( segid "B   " and resid 42   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  243}
   (( segid "B   " and resid 42   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  244}
   (  segid "C   " and resid 1926  and name HD1%)
   (  segid "C   " and resid 1928  and name HD% )
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.17940E-01 ppm1      0.959 ppm2      7.293 CV     1
 OR {  244}
   (( segid "B   " and resid 46   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  244}
   (( segid "B   " and resid 46   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  244}
   (  segid "C   " and resid 1926  and name HD1%)
   (  segid "C   " and resid 1928  and name HE% )
 OR {  244}
   (( segid "B   " and resid 46   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  245}
   (  segid "C   " and resid 1926  and name HD2%)
   (  segid "C   " and resid 1928  and name HE% )
      3.800     1.800     1.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.53236E-02 ppm1      0.870 ppm2      7.293 CV     1
 ASSI {  246}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
      5.100     3.300     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      0.682 ppm2      7.293 CV     1
 OR {  246}
   (( segid "B   " and resid 42   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  246}
   (( segid "B   " and resid 42   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  246}
   (( segid "A   " and resid 9    and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  246}
   (( segid "A   " and resid 9    and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  246}
   (( segid "B   " and resid 42   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  246}
   (( segid "A   " and resid 9    and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  247}
   (( segid "B   " and resid 46   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
      4.600     2.700     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.40422E-02 ppm1      1.067 ppm2      7.293 CV     1
 OR {  247}
   (( segid "B   " and resid 46   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  247}
   (( segid "B   " and resid 46   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  247}
   (( segid "B   " and resid 46   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  248}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
      2.400     0.700     0.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17471E-01 ppm1      1.038 ppm2      7.291 CV     1
 OR {  248}
   (( segid "B   " and resid 38   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  248}
   (( segid "B   " and resid 38   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  249}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "C   " and resid 1928  and name HE% )
      2.500     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.14241E-01 ppm1      0.903 ppm2      7.290 CV     1
 OR {  249}
   (  segid "C   " and resid 1929  and name HG1%)
   (  segid "C   " and resid 1928  and name HD% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD12))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  249}
   (( segid "B   " and resid 58   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  250}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
      2.700     0.900     0.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.72821E-02 ppm1      0.832 ppm2      7.291 CV     1
 OR {  250}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  250}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  250}
   (( segid "B   " and resid 58   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  250}
   (( segid "B   " and resid 58   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  250}
   (( segid "B   " and resid 58   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  251}
   (( segid "B   " and resid 82   and name HG12))
   (  segid "C   " and resid 1928  and name HE% )
      3.200     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.15314E-02 ppm1      0.562 ppm2      7.287 CV     1
 OR {  251}
   (( segid "B   " and resid 82   and name HG12))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  252}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1928  and name HE% )
      3.900     1.900     1.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.25732E-02 ppm1      0.258 ppm2      7.290 CV     1
 OR {  252}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  252}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  252}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  253}
   (( segid "B   " and resid 82   and name HG13))
   (  segid "C   " and resid 1928  and name HE% )
      5.300     3.500     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.88553E-03 ppm1      0.486 ppm2      7.285 CV     1
 OR {  253}
   (( segid "B   " and resid 82   and name HG13))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  255}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1928  and name HE% )
      4.200     2.200     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.84385E-03 ppm1      0.419 ppm2      7.281 CV     1
 OR {  255}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  255}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  255}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  256}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1928  and name HZ  ))
      3.000     1.100     1.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.22399E-02 ppm1      0.931 ppm2      7.207 CV     1
 OR {  256}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  258}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.300     1.300     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.75843E-02 ppm1      1.040 ppm2      7.204 CV     1
 OR {  258}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  258}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  258}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  258}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  258}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  259}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1928  and name HZ  ))
      3.700     1.700     1.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.33025E-02 ppm1      0.956 ppm2      7.205 CV     1
 OR {  259}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  260}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1928  and name HZ  ))
      2.800     1.000     1.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.61778E-02 ppm1      0.903 ppm2      7.204 CV     1
 OR {  260}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  260}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  260}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  261}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1928  and name HZ  ))
      4.200     2.200     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.26878E-02 ppm1      0.867 ppm2      7.204 CV     1
 ASSI {  262}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
      4.100     2.100     1.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.56049E-02 ppm1      0.831 ppm2      7.204 CV     1
 OR {  262}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  262}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  262}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  262}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  263}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.87511E-03 ppm1      0.556 ppm2      7.200 CV     1
 OR {  263}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  264}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "C   " and resid 1928  and name HZ  ))
      5.600     3.900     0.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.91678E-03 ppm1      0.257 ppm2      7.200 CV     1
 OR {  264}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  264}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  265}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1928  and name HE% )
      2.900     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.31983E-02 ppm1     -0.154 ppm2      7.292 CV     1
 OR {  265}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  265}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  265}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  267}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
      3.400     1.500     1.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.10835E-02 ppm1     -0.164 ppm2      7.200 CV     1
 OR {  267}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "C   " and resid 1928  and name HZ  ))
 OR {  267}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI {  268}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HD22))
      3.600     1.600     1.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.34171E-02 ppm1      1.160 ppm2      7.433 CV     1
 ASSI {  269}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HD21))
      3.100     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.55736E-02 ppm1      1.163 ppm2      7.824 CV     1
 ASSI {  270}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name H   ))
      5.500     3.800     0.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      1.159 ppm2      7.691 CV     1
 OR {  270}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name H   ))
 OR {  270}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name H   ))
 ASSI {  271}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1912  and name H   ))
      4.700     2.700     1.300 peak   271 spectrum    1 weight  0.10000E+01 volume  0.82302E-03 ppm1      1.171 ppm2      7.613 CV     1
 ASSI {  273}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1917  and name H   ))
      4.200     2.300     1.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.37088E-02 ppm1      1.164 ppm2      8.141 CV     1
 ASSI {  276}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name H   ))
      3.900     1.900     1.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.56986E-02 ppm1      1.022 ppm2      8.139 CV     1
 ASSI {  277}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1903  and name H   ))
      4.400     2.400     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      0.962 ppm2      8.139 CV     1
 OR {  277}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name H   ))
 OR {  277}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name H   ))
 OR {  277}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  278}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1921  and name H   ))
      4.000     2.000     2.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.25837E-02 ppm1      1.018 ppm2      8.304 CV     1
 ASSI {  279}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name H   ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.37817E-02 ppm1      1.021 ppm2      7.832 CV     1
 OR {  279}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1920  and name H   ))
 ASSI {  280}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1916  and name H   ))
      4.800     2.900     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      0.984 ppm2      7.837 CV     1
 OR {  280}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {  281}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HD21))
      2.600     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.29170E-02 ppm1      0.962 ppm2      7.830 CV     1
 OR {  281}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HD21))
 OR {  281}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {  282}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1920  and name H   ))
      5.000     3.100     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10314E-02 ppm1      0.934 ppm2      7.825 CV     1
 ASSI {  283}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1922  and name H   ))
      4.800     2.900     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      0.932 ppm2      7.689 CV     1
 OR {  283}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1922  and name H   ))
 ASSI {  284}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1922  and name H   ))
      4.900     3.000     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.15419E-02 ppm1      0.906 ppm2      7.684 CV     1
 ASSI {  285}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1912  and name H   ))
      4.300     2.300     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      0.950 ppm2      7.619 CV     1
 OR {  285}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1923  and name H   ))
 ASSI {  286}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1930  and name H   ))
      3.600     1.600     1.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.70113E-02 ppm1      0.883 ppm2      8.006 CV     1
 OR {  286}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name H   ))
 OR {  286}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1926  and name H   ))
 ASSI {  287}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1930  and name H   ))
      3.900     1.900     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.43130E-02 ppm1      0.788 ppm2      8.006 CV     1
 ASSI {  290}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1928  and name H   ))
      3.400     1.500     1.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      0.954 ppm2      7.044 CV     1
 ASSI {  291}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1928  and name H   ))
      4.800     2.900     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      0.871 ppm2      7.037 CV     1
 ASSI {  292}
   (( segid "C   " and resid 1927  and name HG2 ))
   (  segid "C   " and resid 1928  and name HD% )
      3.600     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.36880E-02 ppm1      1.358 ppm2      7.298 CV     1
 OR {  292}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  292}
   (( segid "C   " and resid 1927  and name HG2 ))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  292}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1928  and name HE% )
 ASSI {  293}
   (( segid "C   " and resid 1927  and name HG2 ))
   (  segid "C   " and resid 1928  and name HD% )
      3.400     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.47402E-02 ppm1      1.333 ppm2      7.297 CV     1
 OR {  293}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
 OR {  293}
   (( segid "C   " and resid 1927  and name HG2 ))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  293}
   (( segid "C   " and resid 1926  and name HB3 ))
   (  segid "C   " and resid 1928  and name HE% )
 OR {  293}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI {  294}
   (( segid "C   " and resid 1927  and name HG2 ))
   (( segid "C   " and resid 1928  and name H   ))
      2.800     1.000     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.22919E-02 ppm1      1.346 ppm2      7.040 CV     1
 ASSI {  298}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name H   ))
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.36880E-02 ppm1      1.161 ppm2      9.004 CV     1
 OR {  298}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name H   ))
 ASSI {  299}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name H   ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.26253E-02 ppm1      0.964 ppm2      9.004 CV     1
 OR {  299}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name H   ))
 OR {  299}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name H   ))
 ASSI {  303}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1918  and name H   ))
      4.500     2.600     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      1.162 ppm2      8.908 CV     1
 OR {  303}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1908  and name H   ))
 OR {  303}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1918  and name H   ))
 OR {  303}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  306}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1918  and name H   ))
      4.100     2.100     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      0.988 ppm2      8.896 CV     1
 ASSI {  307}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name H   ))
      2.600     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.12825E-01 ppm1      1.169 ppm2      8.809 CV     1
 ASSI {  308}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name H   ))
      3.400     1.500     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.33025E-02 ppm1      1.022 ppm2      8.809 CV     1
 OR {  308}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name H   ))
 OR {  308}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {  317}
   (( segid "C   " and resid 1928  and name HB2 ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.500     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.48131E-02 ppm1      3.092 ppm2      5.322 CV     1
 ASSI {  318}
   (( segid "C   " and resid 1928  and name HB3 ))
   (( segid "C   " and resid 1928  and name HA  ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.35838E-02 ppm1      3.024 ppm2      5.321 CV     1
 ASSI {  319}
   (( segid "B   " and resid 46   and name HD22))
   (( segid "C   " and resid 1928  and name HA  ))
      4.700     2.800     1.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.12397E-02 ppm1      0.964 ppm2      5.324 CV     1
 OR {  319}
   (( segid "B   " and resid 46   and name HD21))
   (( segid "C   " and resid 1928  and name HA  ))
 OR {  319}
   (( segid "B   " and resid 46   and name HD23))
   (( segid "C   " and resid 1928  and name HA  ))
 ASSI {  320}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1928  and name HA  ))
      4.300     2.300     1.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      0.884 ppm2      5.318 CV     1
 ASSI {  321}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1928  and name HA  ))
      3.700     1.700     1.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      0.787 ppm2      5.320 CV     1
 ASSI {  322}
   (( segid "C   " and resid 1927  and name HB3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.100     2.100     1.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      1.885 ppm2      3.703 CV     1
 OR {  322}
   (( segid "C   " and resid 1927  and name HB2 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI {  323}
   (( segid "C   " and resid 1927  and name HG3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.32191E-02 ppm1      1.611 ppm2      3.702 CV     1
 ASSI {  324}
   (( segid "C   " and resid 1927  and name HG2 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      3.500     1.500     1.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      1.354 ppm2      3.703 CV     1
 ASSI {  325}
   (( segid "C   " and resid 1927  and name HG2 ))
   (( segid "C   " and resid 1927  and name HD3 ))
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28337E-02 ppm1      1.337 ppm2      3.701 CV     1
 OR {  325}
   (( segid "C   " and resid 1926  and name HB3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR {  325}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 OR {  325}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1927  and name HD3 ))
 ASSI {  327}
   (( segid "C   " and resid 1927  and name HD2 ))
   (( segid "C   " and resid 1927  and name HG2 ))
      2.500     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.54069E-02 ppm1      3.253 ppm2      1.354 CV     1
 ASSI {  328}
   (( segid "C   " and resid 1926  and name H   ))
   (  segid "C   " and resid 1926  and name HD1%)
      3.500     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.50319E-02 ppm1      7.992 ppm2      0.950 CV     1
 ASSI {  329}
   (( segid "C   " and resid 1926  and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      3.600     1.600     1.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.50631E-02 ppm1      7.990 ppm2      0.869 CV     1
 ASSI {  335}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HG  ))
      2.100     0.500     0.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15919E-01 ppm1      0.868 ppm2      1.684 CV     1
 ASSI {  336}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HB2 ))
      3.000     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.48027E-02 ppm1      0.867 ppm2      1.853 CV     1
 ASSI {  337}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name HB2 ))
      2.400     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.12335E-01 ppm1      0.950 ppm2      1.848 CV     1
 ASSI {  339}
   (( segid "C   " and resid 1926  and name HB3 ))
   (( segid "C   " and resid 1926  and name HB2 ))
      1.800     0.400     0.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.12679E-01 ppm1      1.348 ppm2      1.860 CV     1
 ASSI {  340}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1900  and name HG  ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.38234E-02 ppm1      0.866 ppm2      2.149 CV     1
 OR {  340}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {  340}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {  341}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1923  and name HB3 ))
      2.400     2.400     3.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.47610E-02 ppm1      0.866 ppm2      2.077 CV     1
 ASSI {  342}
   (( segid "A   " and resid 58   and name HD11))
   (  segid "C   " and resid 1904  and name HG2%)
      2.300     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10533E-01 ppm1      0.868 ppm2      1.489 CV     1
 OR {  342}
   (( segid "A   " and resid 58   and name HD12))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {  342}
   (( segid "A   " and resid 58   and name HD13))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {  343}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1927  and name HG3 ))
      4.100     2.100     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.57611E-02 ppm1      0.869 ppm2      1.622 CV     1
 ASSI {  346}
   (( segid "C   " and resid 1926  and name HG  ))
   (  segid "C   " and resid 1926  and name HD1%)
      2.100     0.500     0.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.28160E-01 ppm1      1.689 ppm2      0.943 CV     1
 ASSI {  349}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1923  and name HB2 ))
      4.700     2.700     1.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.17190E-02 ppm1      8.255 ppm2      1.938 CV     1
 OR {  349}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "C   " and resid 1898  and name HB3 ))
 OR {  349}
   (( segid "A   " and resid 51   and name H   ))
   (( segid "C   " and resid 1898  and name HB3 ))
 ASSI {  350}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
      4.200     2.200     1.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.12397E-02 ppm1      8.253 ppm2      1.833 CV     1
 OR {  350}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1922  and name HG2 ))
 OR {  350}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  350}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1923  and name HG3 ))
 ASSI {  351}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      4.600     2.700     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      8.252 ppm2      1.678 CV     1
 OR {  351}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
 OR {  351}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "C   " and resid 1918  and name HD2 ))
 OR {  351}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "C   " and resid 1918  and name HD2 ))
 ASSI {  352}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1923  and name HA  ))
      4.500     2.500     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.19794E-02 ppm1      8.253 ppm2      4.429 CV     1
 ASSI {  353}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1924  and name HA2 ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.11949E-01 ppm1      8.039 ppm2      4.096 CV     1
 ASSI {  354}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1924  and name HA3 ))
      3.900     1.900     1.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.29587E-02 ppm1      8.038 ppm2      4.058 CV     1
 ASSI {  355}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "C   " and resid 1930  and name HA  ))
      3.600     1.600     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.19773E-01 ppm1      8.038 ppm2      4.308 CV     1
 ASSI {  358}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "C   " and resid 1924  and name H   ))
      3.000     3.000     3.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.33858E-02 ppm1      1.752 ppm2      8.034 CV     1
 OR {  358}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "C   " and resid 1909  and name H   ))
 OR {  358}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "C   " and resid 1909  and name H   ))
 OR {  358}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "C   " and resid 1909  and name H   ))
 OR {  358}
   (( segid "A   " and resid 87   and name HB3 ))
   (( segid "C   " and resid 1909  and name H   ))
 OR {  358}
   (( segid "C   " and resid 1898  and name HG2 ))
   (( segid "C   " and resid 1909  and name H   ))
 OR {  358}
   (( segid "C   " and resid 1898  and name HG3 ))
   (( segid "C   " and resid 1909  and name H   ))
 ASSI {  360}
   (( segid "C   " and resid 1926  and name HG  ))
   (( segid "C   " and resid 1924  and name H   ))
      3.300     1.400     1.400 peak   360 spectrum    1 weight  0.10000E+01 volume  0.41672E-02 ppm1      1.672 ppm2      8.033 CV     1
 OR {  360}
   (( segid "C   " and resid 1921  and name HB3 ))
   (( segid "C   " and resid 1924  and name H   ))
 ASSI {  361}
   (( segid "C   " and resid 1909  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      3.600     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.84802E-02 ppm1      8.038 ppm2      1.667 CV     1
 ASSI {  363}
   (( segid "B   " and resid 45   and name H   ))
   (  segid "C   " and resid 1930  and name HG1%)
      5.300     3.500     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      8.035 ppm2      0.961 CV     1
 ASSI {  364}
   (( segid "B   " and resid 60   and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      4.400     2.500     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.25941E-02 ppm1      8.039 ppm2      0.881 CV     1
 OR {  364}
   (( segid "C   " and resid 1924  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  364}
   (( segid "C   " and resid 1924  and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
 ASSI {  365}
   (( segid "B   " and resid 45   and name H   ))
   (  segid "C   " and resid 1930  and name HG2%)
      6.000     4.600     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.28337E-02 ppm1      8.037 ppm2      1.035 CV     1
 ASSI {  367}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
      4.100     2.100     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.13752E-02 ppm1      8.035 ppm2      4.245 CV     1
 ASSI {  368}
   (( segid "C   " and resid 1912  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.400     2.400     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.22399E-02 ppm1      7.620 ppm2      1.178 CV     1
 OR {  368}
   (( segid "B   " and resid 81   and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  368}
   (( segid "B   " and resid 81   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  370}
   (( segid "C   " and resid 1923  and name HB2 ))
   (( segid "C   " and resid 1923  and name H   ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.10355E-01 ppm1      1.955 ppm2      7.616 CV     1
 OR {  370}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name H   ))
 ASSI {  375}
   (( segid "C   " and resid 1923  and name HB3 ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.000     1.100     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11637E-01 ppm1      2.068 ppm2      4.423 CV     1
 ASSI {  376}
   (( segid "C   " and resid 1923  and name HG3 ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.000     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.79281E-02 ppm1      1.831 ppm2      4.398 CV     1
 ASSI {  377}
   (( segid "C   " and resid 1922  and name HB2 ))
   (( segid "C   " and resid 1922  and name HA  ))
      2.700     0.900     0.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.13866E-01 ppm1      2.099 ppm2      4.392 CV     1
 ASSI {  378}
   (( segid "C   " and resid 1923  and name HG2 ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.500     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.34379E-02 ppm1      1.789 ppm2      4.423 CV     1
 ASSI {  379}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1923  and name H   ))
      2.600     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.52090E-02 ppm1      7.675 ppm2      7.614 CV     1
 ASSI {  380}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.10085E-01 ppm1      7.619 ppm2      4.132 CV     1
 OR {  380}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
 ASSI {  382}
   (( segid "B   " and resid 78   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.200     2.200     1.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.17919E-02 ppm1      7.683 ppm2      1.178 CV     1
 ASSI {  383}
   (( segid "C   " and resid 1922  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.400     2.400     1.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.30837E-02 ppm1      7.683 ppm2      0.927 CV     1
 ASSI {  388}
   (( segid "C   " and resid 1922  and name HB3 ))
   (( segid "C   " and resid 1922  and name HA  ))
      2.600     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.12074E-01 ppm1      2.008 ppm2      4.392 CV     1
 ASSI {  389}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HA  ))
      3.400     1.500     1.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.44485E-02 ppm1      1.902 ppm2      4.394 CV     1
 ASSI {  390}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      4.000     2.000     2.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      7.682 ppm2      4.133 CV     1
 ASSI {  391}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1919  and name HA  ))
      3.500     1.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.17919E-02 ppm1      7.684 ppm2      4.585 CV     1
 ASSI {  392}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      4.100     2.100     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      7.685 ppm2      3.913 CV     1
 ASSI {  393}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1921  and name HB3 ))
      3.600     1.600     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.41984E-02 ppm1      8.310 ppm2      1.691 CV     1
 ASSI {  394}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1921  and name HB2 ))
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.83344E-02 ppm1      8.310 ppm2      1.998 CV     1
 ASSI {  397}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1921  and name H   ))
      4.100     2.100     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27920E-02 ppm1      2.096 ppm2      8.304 CV     1
 ASSI {  398}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1921  and name H   ))
      4.300     2.300     1.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.23128E-02 ppm1      2.072 ppm2      8.305 CV     1
 ASSI {  399}
   (( segid "C   " and resid 1920  and name HB2 ))
   (( segid "C   " and resid 1921  and name H   ))
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.50527E-02 ppm1      1.941 ppm2      8.305 CV     1
 OR {  399}
   (( segid "C   " and resid 1920  and name HB3 ))
   (( segid "C   " and resid 1921  and name H   ))
 ASSI {  402}
   (( segid "C   " and resid 1921  and name HB3 ))
   (( segid "C   " and resid 1921  and name HA  ))
      2.100     0.600     0.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11397E-01 ppm1      1.693 ppm2      4.249 CV     1
 ASSI {  403}
   (( segid "C   " and resid 1921  and name HB2 ))
   (( segid "C   " and resid 1921  and name HA  ))
      2.400     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.16356E-01 ppm1      2.003 ppm2      4.252 CV     1
 ASSI {  404}
   (( segid "C   " and resid 1920  and name HB2 ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.600     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.76259E-02 ppm1      1.951 ppm2      4.248 CV     1
 OR {  404}
   (( segid "C   " and resid 1920  and name HB3 ))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {  404}
   (( segid "C   " and resid 1920  and name HB2 ))
   (( segid "C   " and resid 1921  and name HA  ))
 ASSI {  405}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1921  and name HA  ))
      2.000     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.28681E-01 ppm1      0.904 ppm2      4.244 CV     1
 ASSI {  406}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      8.309 ppm2      3.913 CV     1
 ASSI {  407}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HD21))
      1.700     0.300     0.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13773E-01 ppm1      7.435 ppm2      7.830 CV     1
 ASSI {  410}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.700     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      7.828 ppm2      3.163 CV     1
 ASSI {  411}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "C   " and resid 1911  and name HB3 ))
      3.900     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.17711E-02 ppm1      7.831 ppm2      2.699 CV     1
 ASSI {  412}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.600     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.36150E-02 ppm1      7.436 ppm2      3.155 CV     1
 ASSI {  413}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.100     2.100     1.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.30525E-02 ppm1      7.435 ppm2      2.700 CV     1
 ASSI {  415}
   (( segid "C   " and resid 1911  and name HD21))
   (  segid "C   " and resid 1907  and name HB% )
      4.700     2.800     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.33858E-02 ppm1      7.831 ppm2      1.654 CV     1
 ASSI {  416}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1921  and name HB3 ))
      4.700     2.700     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26670E-02 ppm1      7.837 ppm2      1.691 CV     1
 OR {  416}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
 ASSI {  417}
   (( segid "C   " and resid 1920  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.100     2.100     1.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25211E-02 ppm1      7.836 ppm2      1.012 CV     1
 ASSI {  418}
   (( segid "C   " and resid 1920  and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
      4.800     2.900     1.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.16044E-02 ppm1      7.836 ppm2      0.922 CV     1
 OR {  418}
   (( segid "C   " and resid 1920  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  419}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HB2 ))
      3.400     1.400     1.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.41568E-02 ppm1      7.835 ppm2      1.936 CV     1
 OR {  419}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HB3 ))
 ASSI {  423}
   (( segid "C   " and resid 1921  and name HB3 ))
   (( segid "C   " and resid 1920  and name H   ))
      4.600     2.700     1.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21148E-02 ppm1      1.694 ppm2      7.835 CV     1
 OR {  423}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1911  and name HD21))
 ASSI {  425}
   (( segid "C   " and resid 1912  and name HB3 ))
   (( segid "C   " and resid 1913  and name H   ))
      3.500     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.58653E-02 ppm1      2.074 ppm2      7.828 CV     1
 OR {  425}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1920  and name H   ))
 ASSI {  428}
   (( segid "C   " and resid 1920  and name HG3 ))
   (( segid "C   " and resid 1920  and name HA  ))
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11908E-01 ppm1      1.833 ppm2      4.134 CV     1
 ASSI {  429}
   (( segid "C   " and resid 1920  and name HG2 ))
   (( segid "C   " and resid 1920  and name HA  ))
      2.900     1.100     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.79176E-02 ppm1      1.527 ppm2      4.126 CV     1
 ASSI {  430}
   (( segid "C   " and resid 1920  and name HB3 ))
   (( segid "C   " and resid 1920  and name HA  ))
      2.600     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.10178E-01 ppm1      1.936 ppm2      4.132 CV     1
 OR {  430}
   (( segid "C   " and resid 1920  and name HB2 ))
   (( segid "C   " and resid 1920  and name HA  ))
 ASSI {  431}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.600     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      7.836 ppm2      3.912 CV     1
 ASSI {  432}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.000     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.78864E-02 ppm1      7.834 ppm2      4.265 CV     1
 ASSI {  433}
   (( segid "C   " and resid 1923  and name HB3 ))
   (( segid "C   " and resid 1920  and name HA  ))
      2.600     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.16200E-01 ppm1      1.994 ppm2      4.252 CV     1
 ASSI {  434}
   (( segid "C   " and resid 1912  and name HB2 ))
   (( segid "C   " and resid 1909  and name HA  ))
      2.900     2.900     3.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.80322E-02 ppm1      2.148 ppm2      4.131 CV     1
 ASSI {  435}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1909  and name HA  ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.57882E-01 ppm1      1.578 ppm2      4.129 CV     1
 ASSI {  436}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1919  and name H   ))
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.46568E-02 ppm1      2.081 ppm2      7.484 CV     1
 ASSI {  437}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1919  and name H   ))
      3.800     1.800     1.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.19377E-02 ppm1      1.537 ppm2      7.488 CV     1
 OR {  437}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1919  and name H   ))
 ASSI {  438}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1916  and name HA  ))
      3.900     1.900     1.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      7.486 ppm2      4.376 CV     1
 ASSI {  439}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      2.800     2.800     3.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.18856E-02 ppm1      7.483 ppm2      4.099 CV     1
 ASSI {  440}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.900     1.900     1.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      7.483 ppm2      4.268 CV     1
 ASSI {  442}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      8.904 ppm2      3.601 CV     1
 ASSI {  443}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      2.500     2.500     3.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      8.905 ppm2      4.090 CV     1
 ASSI {  444}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
      4.600     2.700     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.15210E-02 ppm1      8.909 ppm2      2.558 CV     1
 OR {  444}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {  444}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {  445}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.800     2.800     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      8.907 ppm2      0.929 CV     1
 ASSI {  450}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name H   ))
      4.300     2.400     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      1.540 ppm2      8.901 CV     1
 OR {  450}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  452}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1908  and name H   ))
      4.600     2.700     1.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.31879E-02 ppm1      1.578 ppm2      8.911 CV     1
 ASSI {  453}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name H   ))
      5.100     3.300     0.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      1.681 ppm2      8.906 CV     1
 ASSI {  454}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.93657E-02 ppm1      1.545 ppm2      3.910 CV     1
 OR {  454}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HA  ))
 ASSI {  455}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      1.800     0.400     0.400 peak   455 spectrum    1 weight  0.10000E+01 volume  0.13179E-01 ppm1      2.093 ppm2      3.914 CV     1
 ASSI {  456}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.300     0.600     0.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.13939E-01 ppm1      2.073 ppm2      3.914 CV     1
 ASSI {  457}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
      2.300     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.17523E-01 ppm1      1.540 ppm2      3.048 CV     1
 OR {  457}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 OR {  457}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 OR {  457}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 ASSI {  458}
   (( segid "C   " and resid 1921  and name HB2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.13543E-02 ppm1      2.000 ppm2      3.909 CV     1
 ASSI {  459}
   (( segid "C   " and resid 1921  and name HB3 ))
   (( segid "C   " and resid 1918  and name HA  ))
      4.100     2.100     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.25003E-02 ppm1      1.682 ppm2      3.911 CV     1
 ASSI {  460}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1918  and name HA  ))
      2.400     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.83656E-02 ppm1      0.933 ppm2      3.914 CV     1
 ASSI {  461}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1918  and name HA  ))
      4.300     2.300     1.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23545E-02 ppm1      0.906 ppm2      3.916 CV     1
 ASSI {  462}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1918  and name HA  ))
      5.000     3.100     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.15939E-02 ppm1      0.985 ppm2      3.911 CV     1
 ASSI {  463}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1918  and name HA  ))
      3.800     1.800     1.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22815E-02 ppm1      1.020 ppm2      3.913 CV     1
 OR {  463}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1918  and name HA  ))
 OR {  463}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1918  and name HA  ))
 ASSI {  464}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name H   ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.56153E-02 ppm1      8.142 ppm2      7.846 CV     1
 ASSI {  465}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      4.700     2.700     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.15002E-02 ppm1      8.142 ppm2      3.908 CV     1
 ASSI {  466}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.49173E-02 ppm1      8.143 ppm2      3.772 CV     1
 ASSI {  467}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.000     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.30108E-02 ppm1      8.145 ppm2      3.604 CV     1
 ASSI {  468}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
      4.800     2.900     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.13648E-02 ppm1      8.139 ppm2      3.150 CV     1
 ASSI {  472}
   (( segid "C   " and resid 1917  and name HB3 ))
   (( segid "C   " and resid 1917  and name H   ))
      2.500     0.800     0.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.84385E-02 ppm1      1.979 ppm2      8.138 CV     1
 ASSI {  473}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1910  and name H   ))
      3.900     1.900     1.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.63341E-02 ppm1      1.644 ppm2      8.141 CV     1
 ASSI {  476}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HA  ))
      3.300     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.82510E-02 ppm1      1.186 ppm2      4.261 CV     1
 ASSI {  477}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name HA  ))
      2.300     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.26972E-01 ppm1      1.020 ppm2      4.264 CV     1
 ASSI {  478}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name HB3 ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.18086E-01 ppm1      1.022 ppm2      1.982 CV     1
 ASSI {  479}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HB3 ))
      2.900     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.11387E-01 ppm1      1.184 ppm2      1.989 CV     1
 OR {  479}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1910  and name HG2 ))
 OR {  479}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {  479}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1917  and name HB3 ))
 OR {  479}
   (  segid "C   " and resid 1914  and name HG1%)
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {  480}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HB3 ))
      2.600     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.11387E-01 ppm1      1.184 ppm2      1.989 CV     1
 ASSI {  481}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HB2 ))
      2.600     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.79697E-02 ppm1      1.185 ppm2      1.646 CV     1
 ASSI {  482}
   (( segid "A   " and resid 77   and name HG22))
   (  segid "C   " and resid 1907  and name HB% )
      2.300     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.18992E-01 ppm1      1.159 ppm2      1.647 CV     1
 OR {  482}
   (( segid "A   " and resid 77   and name HG21))
   (  segid "C   " and resid 1907  and name HB% )
 OR {  482}
   (( segid "A   " and resid 77   and name HG23))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {  485}
   (( segid "C   " and resid 1917  and name HB2 ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.200     1.300     1.300 peak   485 spectrum    1 weight  0.10000E+01 volume  0.68446E-02 ppm1      1.645 ppm2      1.019 CV     1
 ASSI {  487}
   (( segid "C   " and resid 1920  and name HG3 ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.000     1.100     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13147E-01 ppm1      1.837 ppm2      1.189 CV     1
 ASSI {  488}
   (( segid "C   " and resid 1920  and name HG3 ))
   (  segid "C   " and resid 1917  and name HD2%)
      2.300     0.700     0.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.16815E-01 ppm1      1.835 ppm2      1.019 CV     1
 ASSI {  489}
   (( segid "C   " and resid 1920  and name HG3 ))
   (( segid "C   " and resid 1917  and name HA  ))
      2.000     0.500     0.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.88761E-02 ppm1      1.832 ppm2      4.263 CV     1
 ASSI {  490}
   (( segid "C   " and resid 1920  and name HG2 ))
   (( segid "C   " and resid 1917  and name HA  ))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.46256E-02 ppm1      1.530 ppm2      4.260 CV     1
 ASSI {  491}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
      4.900     3.000     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.11876E-02 ppm1      7.851 ppm2      2.316 CV     1
 ASSI {  492}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1912  and name HB2 ))
      3.100     3.100     2.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.12189E-02 ppm1      7.854 ppm2      2.156 CV     1
 ASSI {  493}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      4.000     2.000     2.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.31671E-02 ppm1      7.849 ppm2      2.075 CV     1
 OR {  493}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
 OR {  493}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1923  and name HB3 ))
 OR {  493}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  493}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI {  494}
   (( segid "C   " and resid 1916  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      5.100     3.300     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13022E-02 ppm1      7.857 ppm2      0.987 CV     1
 ASSI {  495}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.82614E-02 ppm1      7.853 ppm2      4.247 CV     1
 ASSI {  496}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HA  ))
      3.200     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.26566E-02 ppm1      8.445 ppm2      4.172 CV     1
 ASSI {  497}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HB2 ))
      2.600     0.900     0.900 peak   497 spectrum    1 weight  0.10000E+01 volume  0.16752E-01 ppm1      8.443 ppm2      4.095 CV     1
 ASSI {  498}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HB3 ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.53444E-02 ppm1      8.444 ppm2      4.030 CV     1
 ASSI {  499}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      3.900     1.900     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.28233E-02 ppm1      8.445 ppm2      4.249 CV     1
 OR {  499}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
 ASSI {  500}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1915  and name HA  ))
      3.600     1.600     1.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      7.857 ppm2      4.170 CV     1
 ASSI {  501}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      4.000     2.000     2.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12918E-02 ppm1      7.854 ppm2      3.602 CV     1
 ASSI {  502}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.400     1.500     1.500 peak   502 spectrum    1 weight  0.10000E+01 volume  0.27087E-02 ppm1      7.855 ppm2      4.155 CV     1
 ASSI {  503}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1916  and name HA  ))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50215E-02 ppm1      2.955 ppm2      4.372 CV     1
 ASSI {  506}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1915  and name H   ))
      5.300     3.500     0.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18127E-02 ppm1      0.961 ppm2      8.441 CV     1
 OR {  506}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1915  and name H   ))
 OR {  506}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1915  and name H   ))
 ASSI {  508}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name HA  ))
      2.200     0.600     0.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.26420E-01 ppm1      2.278 ppm2      4.097 CV     1
 OR {  508}
   (( segid "C   " and resid 1905  and name HB3 ))
   (( segid "C   " and resid 1905  and name HA  ))
 ASSI {  509}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.85740E-02 ppm1      1.760 ppm2      4.097 CV     1
 ASSI {  510}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1915  and name HB2 ))
      3.200     1.300     1.300 peak   510 spectrum    1 weight  0.10000E+01 volume  0.10116E-01 ppm1      1.675 ppm2      4.097 CV     1
 ASSI {  511}
   (( segid "C   " and resid 1912  and name HB2 ))
   (( segid "C   " and resid 1912  and name HA  ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.12408E-01 ppm1      2.150 ppm2      4.164 CV     1
 ASSI {  512}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.100     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.12293E-01 ppm1      1.699 ppm2      4.155 CV     1
 ASSI {  513}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.200     1.300     1.300 peak   513 spectrum    1 weight  0.10000E+01 volume  0.10283E-01 ppm1      1.956 ppm2      4.150 CV     1
 ASSI {  514}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1915  and name HB2 ))
      4.600     2.600     1.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.20940E-02 ppm1      8.816 ppm2      4.097 CV     1
 OR {  514}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
 ASSI {  516}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      4.600     2.600     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.13439E-02 ppm1      8.815 ppm2      2.058 CV     1
 OR {  516}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
 ASSI {  517}
   (( segid "C   " and resid 1914  and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      5.700     4.100     0.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      8.813 ppm2      2.025 CV     1
 ASSI {  518}
   (( segid "C   " and resid 1913  and name HB3 ))
   (( segid "C   " and resid 1914  and name H   ))
      3.900     1.900     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.44901E-02 ppm1      2.321 ppm2      8.810 CV     1
 ASSI {  520}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name H   ))
      4.600     2.700     1.400 peak   520 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      0.963 ppm2      8.810 CV     1
 OR {  520}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name H   ))
 OR {  520}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name H   ))
 ASSI {  521}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name HA  ))
      2.500     0.800     0.800 peak   521 spectrum    1 weight  0.10000E+01 volume  0.22440E-01 ppm1      1.170 ppm2      3.600 CV     1
 ASSI {  522}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1914  and name HA  ))
      2.900     1.100     1.100 peak   522 spectrum    1 weight  0.10000E+01 volume  0.22982E-01 ppm1      1.022 ppm2      3.600 CV     1
 ASSI {  523}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1914  and name HA  ))
      2.100     0.500     0.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.15366E-01 ppm1      0.988 ppm2      3.600 CV     1
 ASSI {  524}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1914  and name HA  ))
      3.900     1.900     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.39067E-02 ppm1      1.191 ppm2      3.604 CV     1
 ASSI {  525}
   (( segid "C   " and resid 1917  and name HB2 ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.700     1.700     1.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.19898E-02 ppm1      1.641 ppm2      3.602 CV     1
 ASSI {  526}
   (( segid "C   " and resid 1913  and name HB2 ))
   (( segid "C   " and resid 1914  and name HA  ))
      4.200     2.300     1.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.28545E-02 ppm1      2.318 ppm2      3.604 CV     1
 OR {  526}
   (( segid "C   " and resid 1913  and name HB3 ))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {  527}
   (( segid "B   " and resid 81   and name HG  ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.000     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1      2.561 ppm2      3.595 CV     1
 OR {  527}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "C   " and resid 1914  and name HA  ))
 ASSI {  528}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name HB  ))
      2.100     0.500     0.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.14231E-01 ppm1      1.170 ppm2      2.168 CV     1
 ASSI {  529}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1914  and name HB  ))
      1.900     0.500     0.500 peak   529 spectrum    1 weight  0.10000E+01 volume  0.17773E-01 ppm1      0.986 ppm2      2.168 CV     1
 ASSI {  530}
   (  segid "C   " and resid 1914  and name HG2%)
   (  segid "C   " and resid 1914  and name HG1%)
      1.900     0.500     0.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.35296E-01 ppm1      0.987 ppm2      1.169 CV     1
 ASSI {  534}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      4.200     2.200     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.90636E-03 ppm1      8.812 ppm2      4.153 CV     1
 ASSI {  535}
   (( segid "C   " and resid 1917  and name HB3 ))
   (( segid "C   " and resid 1914  and name HA  ))
      2.700     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.25628E-02 ppm1      1.981 ppm2      3.596 CV     1
 ASSI {  538}
   (( segid "C   " and resid 1913  and name HB3 ))
   (( segid "C   " and resid 1913  and name H   ))
      3.000     1.100     1.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.71363E-02 ppm1      2.319 ppm2      7.812 CV     1
 OR {  538}
   (( segid "C   " and resid 1913  and name HB2 ))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI {  540}
   (( segid "C   " and resid 1913  and name HB3 ))
   (( segid "C   " and resid 1913  and name HA  ))
      2.400     0.700     0.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.21794E-01 ppm1      2.320 ppm2      4.247 CV     1
 OR {  540}
   (( segid "C   " and resid 1913  and name HB2 ))
   (( segid "C   " and resid 1913  and name HA  ))
 ASSI {  541}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.68342E-02 ppm1      2.501 ppm2      4.247 CV     1
 ASSI {  542}
   (( segid "C   " and resid 1914  and name HB  ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.300     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.60632E-02 ppm1      2.166 ppm2      4.247 CV     1
 ASSI {  543}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HA  ))
      1.700     0.400     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.20503E-01 ppm1      1.166 ppm2      4.249 CV     1
 ASSI {  544}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1910  and name HA  ))
      2.200     0.600     0.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.77093E-02 ppm1      2.278 ppm2      4.250 CV     1
 ASSI {  545}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.600     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.96054E-02 ppm1      2.699 ppm2      4.247 CV     1
 ASSI {  546}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.200     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.13262E-01 ppm1      2.563 ppm2      1.177 CV     1
 OR {  546}
   (( segid "C   " and resid 1913  and name HG3 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  546}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  546}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  546}
   (( segid "C   " and resid 1913  and name HG3 ))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  546}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  547}
   (( segid "B   " and resid 77   and name HB  ))
   (  segid "C   " and resid 1917  and name HD1%)
      3.800     1.800     1.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.53757E-02 ppm1      2.316 ppm2      1.174 CV     1
 OR {  547}
   (( segid "B   " and resid 77   and name HB  ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  547}
   (( segid "C   " and resid 1913  and name HB2 ))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  547}
   (( segid "C   " and resid 1913  and name HB2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  547}
   (( segid "C   " and resid 1913  and name HB3 ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  548}
   (( segid "B   " and resid 85   and name HB3 ))
   (  segid "C   " and resid 1930  and name HG2%)
      3.200     1.300     1.300 peak   548 spectrum    1 weight  0.10000E+01 volume  0.49589E-02 ppm1      2.325 ppm2      1.020 CV     1
 OR {  548}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  548}
   (( segid "C   " and resid 1913  and name HB2 ))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  549}
   (( segid "B   " and resid 81   and name HG  ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.000     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.47818E-02 ppm1      2.563 ppm2      0.989 CV     1
 OR {  549}
   (( segid "C   " and resid 1913  and name HG3 ))
   (  segid "C   " and resid 1914  and name HG2%)
 OR {  549}
   (( segid "A   " and resid 76   and name HB3 ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI {  550}
   (( segid "B   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.400     0.700     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.57299E-02 ppm1      2.569 ppm2      0.930 CV     1
 ASSI {  551}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.36984E-02 ppm1      7.814 ppm2      4.127 CV     1
 ASSI {  552}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
      4.500     2.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      7.617 ppm2      2.565 CV     1
 OR {  552}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {  553}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      4.700     2.800     1.300 peak   553 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      7.613 ppm2      2.286 CV     1
 ASSI {  554}
   (( segid "C   " and resid 1912  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.800     2.800     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      7.615 ppm2      1.581 CV     1
 ASSI {  555}
   (( segid "B   " and resid 81   and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      5.200     3.400     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.12085E-02 ppm1      7.620 ppm2      0.930 CV     1
 OR {  555}
   (( segid "C   " and resid 1923  and name H   ))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  556}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1912  and name H   ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.44901E-02 ppm1      2.696 ppm2      7.613 CV     1
 ASSI {  557}
   (( segid "C   " and resid 1922  and name HB3 ))
   (( segid "C   " and resid 1923  and name H   ))
      4.400     2.400     1.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.13856E-02 ppm1      2.006 ppm2      7.619 CV     1
 OR {  557}
   (( segid "C   " and resid 1921  and name HB2 ))
   (( segid "C   " and resid 1923  and name H   ))
 ASSI {  558}
   (( segid "C   " and resid 1923  and name HB2 ))
   (( segid "C   " and resid 1922  and name H   ))
      4.600     2.700     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.17815E-02 ppm1      1.943 ppm2      7.676 CV     1
 OR {  558}
   (( segid "C   " and resid 1920  and name HB2 ))
   (( segid "C   " and resid 1922  and name H   ))
 ASSI {  560}
   (( segid "C   " and resid 1912  and name HB3 ))
   (( segid "C   " and resid 1912  and name HA  ))
      2.300     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.17794E-01 ppm1      2.071 ppm2      4.152 CV     1
 ASSI {  561}
   (( segid "C   " and resid 1912  and name HB3 ))
   (( segid "C   " and resid 1909  and name HA  ))
      3.600     1.600     1.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.14168E-01 ppm1      2.071 ppm2      4.127 CV     1
 ASSI {  562}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1908  and name HA  ))
      4.300     2.300     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.39901E-02 ppm1      7.435 ppm2      4.454 CV     1
 ASSI {  563}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "C   " and resid 1908  and name HA  ))
      4.600     2.700     1.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      7.831 ppm2      4.462 CV     1
 ASSI {  564}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HA  ))
      4.100     2.100     1.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.16356E-02 ppm1      7.436 ppm2      4.244 CV     1
 ASSI {  565}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.500     1.500     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.31150E-02 ppm1      9.005 ppm2      4.453 CV     1
 ASSI {  566}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      3.800     1.800     1.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.19690E-02 ppm1      9.006 ppm2      4.135 CV     1
 ASSI {  567}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.900     1.900     1.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18648E-02 ppm1      9.005 ppm2      3.772 CV     1
 ASSI {  568}
   (( segid "C   " and resid 1911  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      4.800     2.900     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      9.001 ppm2      1.650 CV     1
 ASSI {  569}
   (( segid "C   " and resid 1911  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.500     2.600     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      9.007 ppm2      1.575 CV     1
 ASSI {  570}
   (( segid "C   " and resid 1911  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      5.400     3.700     0.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.88553E-03 ppm1      8.998 ppm2      1.164 CV     1
 ASSI {  572}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HD21))
      4.500     2.600     1.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.22190E-02 ppm1      9.005 ppm2      7.821 CV     1
 ASSI {  573}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1909  and name H   ))
      3.900     1.900     1.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.14585E-02 ppm1      9.004 ppm2      8.041 CV     1
 ASSI {  575}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name H   ))
      5.100     3.300     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.31046E-02 ppm1      7.435 ppm2      9.004 CV     1
 ASSI {  578}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "C   " and resid 1911  and name H   ))
      3.800     1.800     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.20107E-02 ppm1      1.986 ppm2      9.008 CV     1
 OR {  578}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "C   " and resid 1911  and name H   ))
 ASSI {  579}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1911  and name H   ))
      4.600     2.700     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.18856E-02 ppm1      1.579 ppm2      9.001 CV     1
 ASSI {  580}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1911  and name HD22))
      5.800     4.300     0.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      1.648 ppm2      7.432 CV     1
 ASSI {  582}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HA  ))
      1.800     0.400     0.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.26785E-01 ppm1      0.960 ppm2      4.198 CV     1
 ASSI {  583}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1921  and name HA  ))
      1.900     0.500     0.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.22440E-01 ppm1      0.956 ppm2      4.243 CV     1
 OR {  583}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  583}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  583}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  584}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HA  ))
      2.900     1.000     1.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.85740E-02 ppm1      1.093 ppm2      4.195 CV     1
 ASSI {  587}
   (( segid "C   " and resid 1907  and name HA  ))
   (  segid "C   " and resid 1907  and name HB% )
      2.100     0.500     0.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.26034E-01 ppm1      3.774 ppm2      1.648 CV     1
 ASSI {  588}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
      3.400     1.400     1.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.71571E-02 ppm1      3.774 ppm2      2.002 CV     1
 OR {  588}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  589}
   (( segid "B   " and resid 76   and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
      3.700     1.700     1.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.57195E-02 ppm1      3.570 ppm2      1.995 CV     1
 OR {  589}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR {  589}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {  589}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  590}
   (( segid "C   " and resid 1914  and name HA  ))
   (( segid "C   " and resid 1917  and name HB3 ))
      2.800     1.000     1.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.34171E-02 ppm1      3.594 ppm2      1.997 CV     1
 OR {  590}
   (( segid "C   " and resid 1914  and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {  590}
   (( segid "C   " and resid 1914  and name HA  ))
   (  segid "C   " and resid 1910  and name HE% )
 ASSI {  591}
   (( segid "C   " and resid 1903  and name H   ))
   (  segid "C   " and resid 1900  and name HD1%)
      4.800     2.900     1.200 peak   591 spectrum    1 weight  0.10000E+01 volume  0.19898E-02 ppm1      8.141 ppm2      0.951 CV     1
 OR {  591}
   (( segid "C   " and resid 1933  and name H   ))
   (  segid "C   " and resid 1930  and name HG1%)
 ASSI {  592}
   (( segid "C   " and resid 1917  and name HB2 ))
   (( segid "C   " and resid 1917  and name HA  ))
      2.500     0.800     0.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.46360E-02 ppm1      1.647 ppm2      4.257 CV     1
 ASSI {  593}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      4.100     2.100     1.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      8.042 ppm2      3.773 CV     1
 ASSI {  594}
   (( segid "C   " and resid 1908  and name HB2 ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.500     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.15189E-01 ppm1      2.931 ppm2      4.453 CV     1
 ASSI {  595}
   (( segid "C   " and resid 1908  and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.000     1.100     1.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.12491E-01 ppm1      2.829 ppm2      4.452 CV     1
 ASSI {  596}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.50110E-02 ppm1      2.704 ppm2      4.449 CV     1
 ASSI {  597}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1908  and name HA  ))
      3.800     1.800     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.26983E-02 ppm1      1.648 ppm2      4.453 CV     1
 ASSI {  598}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1908  and name HA  ))
      4.300     2.300     1.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.25628E-02 ppm1      0.976 ppm2      4.449 CV     1
 OR {  598}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1908  and name HA  ))
 OR {  598}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1908  and name HA  ))
 ASSI {  599}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.300     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.32504E-02 ppm1      8.914 ppm2      4.105 CV     1
 ASSI {  600}
   (( segid "C   " and resid 1908  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.200     2.200     1.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.57611E-02 ppm1      8.913 ppm2      1.568 CV     1
 ASSI {  602}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1907  and name H   ))
      4.600     2.600     1.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.19377E-02 ppm1      1.304 ppm2      7.694 CV     1
 ASSI {  603}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1910  and name HB3 ))
      3.700     1.700     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.31775E-02 ppm1      7.691 ppm2      2.561 CV     1
 ASSI {  604}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      4.600     2.700     1.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.22815E-02 ppm1      7.692 ppm2      2.275 CV     1
 OR {  604}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  605}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1907  and name HA  ))
      2.400     0.700     0.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.50944E-02 ppm1      2.559 ppm2      3.771 CV     1
 ASSI {  606}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.500     1.500     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.76676E-02 ppm1      2.271 ppm2      3.771 CV     1
 ASSI {  607}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1907  and name HA  ))
      4.400     2.400     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.48652E-02 ppm1      2.006 ppm2      3.776 CV     1
 ASSI {  610}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1907  and name HA  ))
      2.900     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.15325E-01 ppm1      1.159 ppm2      3.772 CV     1
 OR {  610}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1907  and name HA  ))
 OR {  610}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI {  612}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1908  and name HB2 ))
      4.000     2.000     2.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.38234E-02 ppm1      1.646 ppm2      2.915 CV     1
 ASSI {  613}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.500     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.30212E-02 ppm1      7.692 ppm2      4.099 CV     1
 ASSI {  615}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      4.800     2.900     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.15939E-02 ppm1      7.743 ppm2      3.773 CV     1
 ASSI {  616}
   (( segid "C   " and resid 1906  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      4.400     2.400     1.600 peak   616 spectrum    1 weight  0.10000E+01 volume  0.34900E-02 ppm1      7.744 ppm2      1.648 CV     1
 ASSI {  618}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name H   ))
      5.300     3.500     0.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      1.306 ppm2      7.571 CV     1
 ASSI {  619}
   (( segid "C   " and resid 1905  and name HB3 ))
   (( segid "C   " and resid 1906  and name H   ))
      3.200     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.37400E-02 ppm1      2.278 ppm2      7.739 CV     1
 OR {  619}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1906  and name H   ))
 ASSI {  620}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HA  ))
      4.700     2.800     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.19898E-02 ppm1      1.307 ppm2      4.101 CV     1
 ASSI {  621}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1910  and name HB2 ))
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.64175E-02 ppm1      1.306 ppm2      2.276 CV     1
 OR {  621}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HB3 ))
 OR {  621}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  622}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HG2 ))
      3.700     1.700     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.52090E-02 ppm1      1.305 ppm2      2.562 CV     1
 ASSI {  623}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HG3 ))
      3.800     1.800     1.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.40838E-02 ppm1      1.305 ppm2      2.622 CV     1
 ASSI {  624}
   (( segid "C   " and resid 1905  and name HB3 ))
   (  segid "C   " and resid 1906  and name HG2%)
      3.800     1.800     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.55007E-02 ppm1      2.278 ppm2      1.305 CV     1
 OR {  624}
   (( segid "C   " and resid 1905  and name HB2 ))
   (  segid "C   " and resid 1906  and name HG2%)
 ASSI {  625}
   (( segid "A   " and resid 84   and name HE3 ))
   (  segid "C   " and resid 1906  and name HG2%)
      3.200     1.300     1.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.64591E-02 ppm1      2.224 ppm2      1.304 CV     1
 OR {  625}
   (( segid "A   " and resid 84   and name HE2 ))
   (  segid "C   " and resid 1906  and name HG2%)
 OR {  625}
   (( segid "A   " and resid 84   and name HE1 ))
   (  segid "C   " and resid 1906  and name HG2%)
 ASSI {  627}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.20836E-02 ppm1      7.569 ppm2      4.336 CV     1
 ASSI {  628}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      4.700     2.800     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.14377E-02 ppm1      7.569 ppm2      1.602 CV     1
 ASSI {  629}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      4.800     2.800     1.200 peak   629 spectrum    1 weight  0.10000E+01 volume  0.13022E-02 ppm1      7.568 ppm2      1.486 CV     1
 ASSI {  632}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1900  and name HD1%)
      5.500     3.800     0.500 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      7.566 ppm2      0.979 CV     1
 ASSI {  635}
   (( segid "C   " and resid 1905  and name HB3 ))
   (( segid "C   " and resid 1905  and name H   ))
      2.400     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13648E-01 ppm1      2.278 ppm2      7.567 CV     1
 OR {  635}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name H   ))
 ASSI {  637}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.46672E-02 ppm1      1.654 ppm2      4.097 CV     1
 OR {  637}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1905  and name HA  ))
 OR {  637}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1915  and name HB2 ))
 ASSI {  638}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1915  and name HB2 ))
      4.300     2.400     1.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      1.169 ppm2      4.100 CV     1
 ASSI {  640}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1915  and name HB2 ))
      4.300     2.400     1.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.59695E-02 ppm1      0.987 ppm2      4.095 CV     1
 OR {  640}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1916  and name HB2 ))
 ASSI {  642}
   (( segid "B   " and resid 74   and name HG3 ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.400     2.400     1.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.35421E-02 ppm1      2.592 ppm2      0.929 CV     1
 OR {  642}
   (( segid "B   " and resid 76   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  642}
   (( segid "B   " and resid 74   and name HG3 ))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  646}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "C   " and resid 1900  and name HD1%)
      2.900     1.100     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      1.488 ppm2      0.955 CV     1
 ASSI {  647}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "C   " and resid 1900  and name HD2%)
      4.700     2.700     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      1.488 ppm2      1.092 CV     1
 ASSI {  648}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      4.800     2.900     1.200 peak   648 spectrum    1 weight  0.10000E+01 volume  0.18023E-02 ppm1      7.507 ppm2      2.277 CV     1
 OR {  648}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  649}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
      3.700     1.800     1.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.51881E-02 ppm1      8.147 ppm2      2.300 CV     1
 OR {  649}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
 OR {  649}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  650}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1903  and name HA  ))
      1.900     0.500     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.39547E-01 ppm1      1.600 ppm2      4.335 CV     1
 ASSI {  651}
   (( segid "C   " and resid 1898  and name HG2 ))
   (( segid "C   " and resid 1898  and name HA  ))
      2.700     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.11053E-01 ppm1      1.759 ppm2      4.334 CV     1
 OR {  651}
   (( segid "C   " and resid 1898  and name HG3 ))
   (( segid "C   " and resid 1898  and name HA  ))
 ASSI {  652}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name HA  ))
      2.700     0.900     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.78656E-02 ppm1      1.956 ppm2      4.337 CV     1
 OR {  652}
   (( segid "C   " and resid 1899  and name HB3 ))
   (( segid "C   " and resid 1898  and name HA  ))
 ASSI {  653}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.64175E-02 ppm1      2.187 ppm2      4.337 CV     1
 OR {  653}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1903  and name HA  ))
 ASSI {  654}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1900  and name HA  ))
      1.800     0.400     0.400 peak   654 spectrum    1 weight  0.10000E+01 volume  0.20680E-01 ppm1      1.602 ppm2      4.194 CV     1
 ASSI {  655}
   (  segid "C   " and resid 1903  and name HB% )
   (  segid "C   " and resid 1900  and name HD1%)
      2.800     1.000     1.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14700E-01 ppm1      1.604 ppm2      0.957 CV     1
 OR {  655}
   (( segid "C   " and resid 1900  and name HB2 ))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  656}
   (( segid "C   " and resid 1900  and name HB2 ))
   (  segid "C   " and resid 1900  and name HD2%)
      2.400     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.12335E-01 ppm1      1.611 ppm2      1.092 CV     1
 OR {  656}
   (  segid "C   " and resid 1903  and name HB% )
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  657}
   (( segid "C   " and resid 1910  and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
      4.000     2.000     2.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.75009E-02 ppm1      8.143 ppm2      2.008 CV     1
 ASSI {  658}
   (( segid "C   " and resid 1919  and name HD21))
   (( segid "C   " and resid 1919  and name HD22))
      2.100     0.500     0.500 peak   658 spectrum    1 weight  0.10000E+01 volume  0.17127E-01 ppm1      7.655 ppm2      7.037 CV     1
 ASSI {  660}
   (( segid "C   " and resid 1919  and name HD21))
   (( segid "C   " and resid 1919  and name HB2 ))
      3.300     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.29483E-02 ppm1      7.655 ppm2      2.958 CV     1
 ASSI {  661}
   (( segid "C   " and resid 1919  and name HD21))
   (( segid "C   " and resid 1919  and name HB3 ))
      3.300     1.400     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.30420E-02 ppm1      7.656 ppm2      2.999 CV     1
 ASSI {  662}
   (( segid "C   " and resid 1919  and name HD22))
   (( segid "C   " and resid 1916  and name HA  ))
      4.900     3.000     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.20315E-02 ppm1      7.043 ppm2      4.377 CV     1
 ASSI {  665}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HA  ))
      2.800     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.93657E-02 ppm1      8.125 ppm2      4.297 CV     1
 ASSI {  667}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1899  and name H   ))
      3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.32400E-02 ppm1      8.223 ppm2      8.720 CV     1
 ASSI {  669}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HA  ))
      2.100     0.500     0.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13460E-01 ppm1      8.721 ppm2      4.338 CV     1
 ASSI {  670}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HG2 ))
      1.900     0.500     0.500 peak   670 spectrum    1 weight  0.10000E+01 volume  0.10845E-01 ppm1      8.721 ppm2      2.502 CV     1
 ASSI {  671}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HG3 ))
      3.100     1.200     1.200 peak   671 spectrum    1 weight  0.10000E+01 volume  0.46881E-02 ppm1      8.720 ppm2      2.335 CV     1
 ASSI {  672}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HB2 ))
      3.500     1.600     1.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.67300E-02 ppm1      8.721 ppm2      2.148 CV     1
 ASSI {  673}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HB3 ))
      3.200     1.200     1.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.62299E-02 ppm1      8.721 ppm2      1.944 CV     1
 ASSI {  674}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HG2 ))
      3.500     1.600     1.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.31879E-02 ppm1      8.719 ppm2      1.760 CV     1
 OR {  674}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HG3 ))
 ASSI {  675}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HG3 ))
      3.700     1.700     1.700 peak   675 spectrum    1 weight  0.10000E+01 volume  0.87719E-02 ppm1      8.223 ppm2      1.757 CV     1
 OR {  675}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HG2 ))
 ASSI {  676}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HB2 ))
      2.600     0.800     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14502E-01 ppm1      8.223 ppm2      1.973 CV     1
 ASSI {  677}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HB3 ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13095E-01 ppm1      8.223 ppm2      1.934 CV     1
 ASSI {  678}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HD2 ))
      4.100     2.100     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.62299E-02 ppm1      8.224 ppm2      3.298 CV     1
 OR {  678}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HD3 ))
 ASSI {  679}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "C   " and resid 1900  and name HB2 ))
      2.700     2.700     3.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.23128E-02 ppm1      0.049 ppm2      1.598 CV     1
 OR {  679}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR {  679}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "C   " and resid 1900  and name HB2 ))
 ASSI {  680}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1900  and name HD1%)
      3.300     1.400     1.400 peak   680 spectrum    1 weight  0.10000E+01 volume  0.58132E-02 ppm1      0.051 ppm2      0.961 CV     1
 OR {  680}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  680}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  681}
   (( segid "A   " and resid 82   and name HG21))
   (  segid "C   " and resid 1900  and name HD2%)
      4.100     2.100     1.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.20107E-02 ppm1      0.050 ppm2      1.095 CV     1
 OR {  681}
   (( segid "A   " and resid 82   and name HG22))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  681}
   (( segid "A   " and resid 82   and name HG23))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  682}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "C   " and resid 1900  and name HB2 ))
      2.700     2.700     3.300 peak   682 spectrum    1 weight  0.10000E+01 volume  0.26878E-02 ppm1     -0.104 ppm2      1.597 CV     1
 OR {  682}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "C   " and resid 1900  and name HB2 ))
 OR {  682}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "C   " and resid 1900  and name HB2 ))
 ASSI {  683}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1900  and name HD2%)
      3.200     1.200     1.200 peak   683 spectrum    1 weight  0.10000E+01 volume  0.60737E-02 ppm1     -0.105 ppm2      1.092 CV     1
 OR {  683}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  683}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  684}
   (( segid "A   " and resid 82   and name HD12))
   (  segid "C   " and resid 1900  and name HD1%)
      2.400     0.700     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.12554E-01 ppm1     -0.105 ppm2      0.960 CV     1
 OR {  684}
   (( segid "A   " and resid 82   and name HD13))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  684}
   (( segid "A   " and resid 82   and name HD11))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  685}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1898  and name HA  ))
      4.600     2.600     1.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.95845E-03 ppm1      9.146 ppm2      4.327 CV     1
 ASSI {  686}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HA  ))
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.93762E-03 ppm1      9.142 ppm2      4.192 CV     1
 ASSI {  687}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HG  ))
      4.100     2.100     1.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.16565E-02 ppm1      9.149 ppm2      2.167 CV     1
 ASSI {  688}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.600     1.700     1.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.27087E-02 ppm1      9.148 ppm2      2.081 CV     1
 ASSI {  689}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HB2 ))
      2.400     0.700     0.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.11126E-01 ppm1      1.093 ppm2      1.610 CV     1
 ASSI {  694}
   (( segid "A   " and resid 58   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
      2.900     1.000     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.11793E-01 ppm1      0.808 ppm2      1.093 CV     1
 OR {  694}
   (( segid "A   " and resid 58   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 OR {  694}
   (( segid "A   " and resid 58   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI {  695}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD2%)
      2.700     0.900     0.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.98762E-02 ppm1      0.558 ppm2      1.020 CV     1
 OR {  695}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  695}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  696}
   (( segid "B   " and resid 82   and name HG12))
   (  segid "C   " and resid 1921  and name HD1%)
      2.900     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.47818E-02 ppm1      0.558 ppm2      0.919 CV     1
 OR {  696}
   (( segid "B   " and resid 82   and name HG12))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  696}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  696}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  696}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  696}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  697}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1917  and name HD1%)
      2.500     0.800     0.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.13679E-01 ppm1      0.558 ppm2      1.189 CV     1
 OR {  697}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  697}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  698}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD2%)
      3.600     1.600     1.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.31566E-02 ppm1      0.415 ppm2      1.021 CV     1
 OR {  698}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD2%)
 OR {  698}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD2%)
 ASSI {  699}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1921  and name HD2%)
      3.400     1.500     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.21878E-02 ppm1      0.416 ppm2      0.912 CV     1
 OR {  699}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  699}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  699}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  700}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD1%)
      4.000     2.000     2.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.36880E-02 ppm1      0.416 ppm2      1.187 CV     1
 OR {  700}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  700}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  701}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "C   " and resid 1904  and name HG2%)
      3.200     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.36880E-02 ppm1      0.290 ppm2      1.489 CV     1
 OR {  701}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "C   " and resid 1904  and name HG2%)
 OR {  701}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "C   " and resid 1904  and name HG2%)
 ASSI {  702}
   (( segid "A   " and resid 82   and name HG12))
   (  segid "C   " and resid 1900  and name HD1%)
      3.000     1.100     1.100 peak   702 spectrum    1 weight  0.10000E+01 volume  0.35109E-02 ppm1      0.323 ppm2      0.962 CV     1
 ASSI {  707}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "C   " and resid 1918  and name HD3 ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      0.560 ppm2      1.827 CV     1
 OR {  707}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "C   " and resid 1922  and name HG2 ))
 OR {  707}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  707}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  707}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1918  and name HD3 ))
 OR {  707}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1920  and name HG3 ))
 ASSI {  708}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1917  and name HB3 ))
      4.900     3.000     1.100 peak   708 spectrum    1 weight  0.10000E+01 volume  0.15523E-02 ppm1      0.560 ppm2      1.988 CV     1
 OR {  708}
   (( segid "B   " and resid 82   and name HG12))
   (( segid "C   " and resid 1921  and name HB2 ))
 OR {  708}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR {  708}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR {  708}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  708}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  708}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  708}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1921  and name HB2 ))
 ASSI {  709}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HB2 ))
      3.100     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.64279E-02 ppm1      1.023 ppm2      2.316 CV     1
 OR {  709}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HB3 ))
 OR {  709}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HB2 ))
 OR {  709}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  711}
   (( segid "C   " and resid 1897  and name HE22))
   (( segid "C   " and resid 1897  and name HG2 ))
      4.000     2.000     2.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.49798E-02 ppm1      6.485 ppm2      2.226 CV     1
 ASSI {  712}
   (( segid "C   " and resid 1897  and name HE22))
   (( segid "C   " and resid 1897  and name HG3 ))
      4.500     2.500     1.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.25211E-02 ppm1      6.486 ppm2      2.149 CV     1
 ASSI {  713}
   (( segid "C   " and resid 1897  and name HE21))
   (( segid "C   " and resid 1897  and name HG3 ))
      3.300     1.400     1.400 peak   713 spectrum    1 weight  0.10000E+01 volume  0.29587E-02 ppm1      7.103 ppm2      2.146 CV     1
 ASSI {  714}
   (( segid "C   " and resid 1897  and name HE21))
   (( segid "C   " and resid 1897  and name HG2 ))
      3.300     1.300     1.300 peak   714 spectrum    1 weight  0.10000E+01 volume  0.41984E-02 ppm1      7.104 ppm2      2.225 CV     1
 ASSI {  715}
   (  segid "A   " and resid 55   and name HE% )
   (( segid "C   " and resid 1900  and name HG  ))
      4.500     2.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.24274E-02 ppm1      7.219 ppm2      2.152 CV     1
 OR {  715}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "C   " and resid 1900  and name HG  ))
 ASSI {  717}
   (  segid "A   " and resid 78   and name HD% )
   (  segid "C   " and resid 1904  and name HG2%)
      2.600     0.800     0.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.48964E-02 ppm1      7.119 ppm2      1.489 CV     1
 ASSI {  718}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1904  and name HG2%)
      3.500     1.500     1.500 peak   718 spectrum    1 weight  0.10000E+01 volume  0.27608E-02 ppm1      7.041 ppm2      1.485 CV     1
 ASSI {  719}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      4.000     2.000     2.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.26462E-02 ppm1      8.307 ppm2      1.019 CV     1
 ASSI {  720}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.800     2.900     1.200 peak   720 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      8.323 ppm2      1.176 CV     1
 OR {  720}
   (( segid "B   " and resid 76   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
 OR {  720}
   (( segid "B   " and resid 64   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI {  721}
   (( segid "A   " and resid 58   and name H   ))
   (( segid "C   " and resid 1898  and name HD3 ))
      3.000     1.100     1.100 peak   721 spectrum    1 weight  0.10000E+01 volume  0.36463E-02 ppm1      8.341 ppm2      3.299 CV     1
 OR {  721}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "C   " and resid 1898  and name HD3 ))
 OR {  721}
   (( segid "A   " and resid 53   and name H   ))
   (( segid "C   " and resid 1898  and name HD2 ))
 ASSI {  725}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1899  and name HG3 ))
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      9.148 ppm2      2.336 CV     1
 ASSI {  731}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.100     1.200     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.64070E-02 ppm1      8.039 ppm2      4.429 CV     1
 ASSI {    1}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name H   ))
      2.600     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.58293E-02 ppm1      8.444 ppm2      8.825 CV     1
 ASSI {    2}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1916  and name H   ))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.66730E-02 ppm1      8.444 ppm2      7.839 CV     1
 ASSI {    3}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1912  and name H   ))
      3.900     1.900     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.24501E-02 ppm1      8.442 ppm2      7.610 CV     1
 OR {    3}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {    5}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HB3 ))
      2.700     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.78235E-02 ppm1      8.442 ppm2      4.037 CV     1
 OR {    5}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HB2 ))
 ASSI {    6}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1915  and name HA  ))
      2.500     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11480E-01 ppm1      8.442 ppm2      4.107 CV     1
 ASSI {    7}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.000     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.40345E-02 ppm1      8.442 ppm2      4.167 CV     1
 ASSI {    8}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      3.800     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.31805E-02 ppm1      8.446 ppm2      4.254 CV     1
 ASSI {    9}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name HB  ))
      3.300     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.51518E-02 ppm1      8.441 ppm2      2.166 CV     1
 ASSI {   10}
   (( segid "C   " and resid 1915  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.44717E-02 ppm1      8.445 ppm2      1.170 CV     1
 ASSI {   11}
   (( segid "C   " and resid 1915  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.62946E-02 ppm1      8.441 ppm2      0.984 CV     1
 ASSI {   12}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.400     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.23693E-02 ppm1      8.440 ppm2      3.605 CV     1
 ASSI {   14}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
      5.000     3.100     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.17506E-02 ppm1      8.445 ppm2      2.317 CV     1
 OR {   14}
   (( segid "C   " and resid 1915  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {   15}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1919  and name HA  ))
      3.800     1.800     1.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.19042E-02 ppm1      8.314 ppm2      4.618 CV     1
 ASSI {   16}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.43080E-02 ppm1      8.311 ppm2      4.255 CV     1
 ASSI {   17}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      3.600     1.600     1.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.20804E-02 ppm1      8.314 ppm2      4.143 CV     1
 ASSI {   18}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.300     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.20249E-02 ppm1      8.310 ppm2      3.922 CV     1
 ASSI {   19}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.900     1.900     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27254E-02 ppm1      8.312 ppm2      1.013 CV     1
 ASSI {   20}
   (( segid "C   " and resid 1921  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.65273E-02 ppm1      8.310 ppm2      0.920 CV     1
 ASSI {   21}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1922  and name HB2 ))
      4.000     2.000     2.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.41265E-02 ppm1      8.313 ppm2      2.089 CV     1
 OR {   21}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "B   " and resid 85   and name HE2 ))
 OR {   21}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "B   " and resid 85   and name HE1 ))
 OR {   21}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "B   " and resid 85   and name HE3 ))
 ASSI {   22}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1922  and name HB3 ))
      4.300     2.300     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.68494E-02 ppm1      8.311 ppm2      1.994 CV     1
 OR {   22}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1917  and name HB3 ))
 ASSI {   23}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1921  and name HB3 ))
      3.100     1.200     1.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.60210E-02 ppm1      8.312 ppm2      1.939 CV     1
 OR {   23}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HB2 ))
 OR {   23}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HB3 ))
 ASSI {   24}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
      3.500     1.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.40856E-02 ppm1      8.309 ppm2      1.832 CV     1
 ASSI {   25}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.43132E-02 ppm1      8.308 ppm2      1.696 CV     1
 ASSI {   26}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1920  and name HG2 ))
      4.300     2.300     1.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17442E-02 ppm1      8.312 ppm2      1.528 CV     1
 ASSI {   28}
   (( segid "C   " and resid 1921  and name H   ))
   (( segid "C   " and resid 1922  and name H   ))
      2.600     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.46660E-02 ppm1      8.311 ppm2      7.676 CV     1
 ASSI {   35}
   (( segid "C   " and resid 1935  and name H   ))
   (( segid "C   " and resid 1935  and name HA  ))
      2.700     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.89740E-02 ppm1      8.046 ppm2      4.310 CV     1
 ASSI {   36}
   (( segid "C   " and resid 1935  and name H   ))
   (( segid "C   " and resid 1934  and name HA  ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13686E-01 ppm1      8.045 ppm2      4.468 CV     1
 ASSI {   37}
   (( segid "C   " and resid 1935  and name H   ))
   (  segid "C   " and resid 1935  and name HB% )
      2.800     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23634E-01 ppm1      8.045 ppm2      1.359 CV     1
 ASSI {   38}
   (( segid "C   " and resid 1935  and name H   ))
   (( segid "C   " and resid 1934  and name HB2 ))
      3.400     1.400     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19855E-02 ppm1      8.046 ppm2      1.954 CV     1
 ASSI {   39}
   (( segid "C   " and resid 1935  and name H   ))
   (( segid "C   " and resid 1934  and name HB3 ))
      3.900     1.900     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.28865E-02 ppm1      8.049 ppm2      2.117 CV     1
 ASSI {   40}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1934  and name HA  ))
      2.900     1.100     1.100 peak    40 spectrum    1 weight  0.10000E+01 volume  0.61719E-02 ppm1      8.093 ppm2      4.470 CV     1
 ASSI {   41}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1933  and name HA  ))
      2.500     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.91760E-02 ppm1      8.091 ppm2      4.279 CV     1
 ASSI {   42}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1934  and name HG2 ))
      3.200     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.40856E-02 ppm1      8.094 ppm2      2.545 CV     1
 ASSI {   43}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1934  and name HB3 ))
      3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.49268E-02 ppm1      8.094 ppm2      2.118 CV     1
 ASSI {   44}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1934  and name HB2 ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.59418E-02 ppm1      8.097 ppm2      1.949 CV     1
 ASSI {   45}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1933  and name HG2 ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.34004E-02 ppm1      8.095 ppm2      1.538 CV     1
 ASSI {   46}
   (( segid "C   " and resid 1934  and name H   ))
   (( segid "C   " and resid 1933  and name HB2 ))
      3.600     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.38529E-02 ppm1      8.097 ppm2      1.772 CV     1
 ASSI {   47}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HD2 ))
      4.700     2.700     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.26743E-02 ppm1      8.168 ppm2      3.137 CV     1
 OR {   47}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HD3 ))
 ASSI {   48}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1932  and name HA  ))
      2.700     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.92910E-02 ppm1      8.168 ppm2      4.090 CV     1
 ASSI {   49}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HA  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.69849E-02 ppm1      8.168 ppm2      4.277 CV     1
 ASSI {   50}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HG2 ))
      3.200     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.82735E-02 ppm1      8.168 ppm2      1.540 CV     1
 ASSI {   51}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HB2 ))
      3.000     1.100     1.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11239E-01 ppm1      8.168 ppm2      1.777 CV     1
 OR {   51}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HB3 ))
 ASSI {   52}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1932  and name HB2 ))
      3.500     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.40294E-02 ppm1      8.167 ppm2      1.713 CV     1
 ASSI {   53}
   (( segid "C   " and resid 1933  and name H   ))
   (( segid "C   " and resid 1933  and name HG3 ))
      4.200     2.200     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.19597E-02 ppm1      8.169 ppm2      1.616 CV     1
 ASSI {   54}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1932  and name HA  ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.50341E-02 ppm1      8.110 ppm2      4.088 CV     1
 ASSI {   55}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1931  and name HA  ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12970E-01 ppm1      8.108 ppm2      4.298 CV     1
 ASSI {   56}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1932  and name HG2 ))
      3.400     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.39603E-02 ppm1      8.109 ppm2      1.550 CV     1
 ASSI {   57}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1932  and name HG3 ))
      3.300     1.400     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.31473E-02 ppm1      8.112 ppm2      1.616 CV     1
 ASSI {   58}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1932  and name HB2 ))
      2.800     1.000     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.85803E-02 ppm1      8.109 ppm2      1.707 CV     1
 ASSI {   59}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1931  and name HB3 ))
      4.300     2.400     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.28354E-02 ppm1      8.109 ppm2      2.084 CV     1
 ASSI {   60}
   (( segid "C   " and resid 1932  and name H   ))
   (( segid "C   " and resid 1932  and name HB3 ))
      3.400     1.400     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.40473E-02 ppm1      8.110 ppm2      1.763 CV     1
 ASSI {   61}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.54560E-02 ppm1      7.977 ppm2      0.768 CV     1
 ASSI {   62}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1930  and name HG2%)
      2.400     0.700     0.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.15775E-01 ppm1      7.980 ppm2      1.024 CV     1
 ASSI {   63}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1930  and name HG1%)
      3.300     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.66346E-02 ppm1      7.979 ppm2      0.943 CV     1
 ASSI {   64}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
      3.500     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.98433E-02 ppm1      7.980 ppm2      0.877 CV     1
 ASSI {   65}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1930  and name HB  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.10690E-01 ppm1      7.979 ppm2      1.891 CV     1
 ASSI {   66}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name HB  ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12316E-01 ppm1      7.979 ppm2      2.000 CV     1
 ASSI {   67}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "B   " and resid 85   and name HE1 ))
      3.400     1.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.24255E-02 ppm1      7.976 ppm2      2.103 CV     1
 OR {   67}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "B   " and resid 85   and name HE3 ))
 OR {   67}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {   68}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1930  and name HA  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.63764E-02 ppm1      7.979 ppm2      4.311 CV     1
 ASSI {   69}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.100     0.500     0.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.23008E-01 ppm1      7.979 ppm2      4.430 CV     1
 ASSI {   70}
   (( segid "C   " and resid 1930  and name H   ))
   (( segid "C   " and resid 1929  and name H   ))
      3.800     1.800     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.27715E-02 ppm1      7.981 ppm2      8.610 CV     1
 ASSI {   71}
   (( segid "C   " and resid 1930  and name H   ))
   (  segid "C   " and resid 1928  and name HD% )
      4.300     2.300     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.18048E-02 ppm1      7.977 ppm2      7.324 CV     1
 ASSI {   73}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1928  and name HD% )
      2.900     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.36944E-02 ppm1      8.605 ppm2      7.325 CV     1
 ASSI {   74}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name H   ))
      4.600     2.600     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.19592E-02 ppm1      8.600 ppm2      7.025 CV     1
 ASSI {   75}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.400     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.75116E-02 ppm1      8.605 ppm2      5.359 CV     1
 ASSI {   76}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1929  and name HA  ))
      2.900     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.28686E-02 ppm1      8.606 ppm2      4.426 CV     1
 ASSI {   79}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "B   " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.16721E-02 ppm1      8.607 ppm2      4.852 CV     1
 ASSI {   80}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HB3 ))
      4.400     2.400     1.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.30016E-02 ppm1      8.604 ppm2      3.021 CV     1
 ASSI {   81}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.000     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.35717E-02 ppm1      8.606 ppm2      3.110 CV     1
 ASSI {   82}
   (( segid "C   " and resid 1929  and name H   ))
   (( segid "C   " and resid 1929  and name HB  ))
      3.700     1.700     1.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.28788E-02 ppm1      8.604 ppm2      2.000 CV     1
 ASSI {   83}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1929  and name HG2%)
      2.800     1.000     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.72534E-02 ppm1      8.604 ppm2      0.769 CV     1
 ASSI {   84}
   (( segid "C   " and resid 1929  and name H   ))
   (  segid "C   " and resid 1929  and name HG1%)
      3.700     1.700     1.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.36842E-02 ppm1      8.608 ppm2      0.878 CV     1
 ASSI {   85}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.300     1.400     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.58421E-02 ppm1      7.022 ppm2      3.094 CV     1
 ASSI {   86}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HB3 ))
      2.300     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.69261E-02 ppm1      7.023 ppm2      3.009 CV     1
 ASSI {   87}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HD2 ))
      3.200     1.300     1.300 peak    87 spectrum    1 weight  0.10000E+01 volume  0.27561E-02 ppm1      7.024 ppm2      3.239 CV     1
 ASSI {   88}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1926  and name HB2 ))
      3.300     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.41240E-02 ppm1      7.024 ppm2      1.863 CV     1
 ASSI {   89}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HB2 ))
      3.200     1.300     1.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.29709E-02 ppm1      7.023 ppm2      1.918 CV     1
 ASSI {   90}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HG2 ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.43873E-02 ppm1      7.023 ppm2      1.352 CV     1
 OR {   90}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HB3 ))
 ASSI {   91}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1926  and name HD1%)
      2.900     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.33186E-02 ppm1      7.022 ppm2      0.951 CV     1
 ASSI {   92}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      4.000     2.000     2.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.32496E-02 ppm1      7.025 ppm2      0.864 CV     1
 ASSI {   93}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1927  and name HA  ))
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.63355E-02 ppm1      7.020 ppm2      4.614 CV     1
 ASSI {   94}
   (( segid "C   " and resid 1928  and name H   ))
   (( segid "C   " and resid 1928  and name HA  ))
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.53103E-02 ppm1      7.021 ppm2      5.354 CV     1
 ASSI {   95}
   (( segid "C   " and resid 1928  and name H   ))
   (  segid "C   " and resid 1928  and name HD% )
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.51083E-02 ppm1      7.022 ppm2      7.315 CV     1
 ASSI {   97}
   (( segid "C   " and resid 1926  and name H   ))
   (  segid "C   " and resid 1926  and name HD2%)
      3.400     1.400     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.67318E-02 ppm1      7.985 ppm2      0.863 CV     1
 ASSI {   98}
   (( segid "C   " and resid 1926  and name H   ))
   (  segid "C   " and resid 1926  and name HD1%)
      3.300     1.400     1.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.73710E-02 ppm1      7.984 ppm2      0.951 CV     1
 ASSI {   99}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HB3 ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.84294E-02 ppm1      7.985 ppm2      1.353 CV     1
 ASSI {  100}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      2.500     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.95416E-02 ppm1      7.985 ppm2      1.689 CV     1
 ASSI {  101}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HB2 ))
      2.800     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12318E-01 ppm1      7.985 ppm2      1.864 CV     1
 ASSI {  102}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HB3 ))
      3.400     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.68008E-02 ppm1      7.986 ppm2      2.697 CV     1
 OR {  102}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HB2 ))
 ASSI {  103}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1927  and name HD2 ))
      4.700     2.700     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.19541E-02 ppm1      7.985 ppm2      3.240 CV     1
 ASSI {  104}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1927  and name HD3 ))
      4.800     2.900     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.25720E-02 ppm1      7.977 ppm2      3.692 CV     1
 ASSI {  105}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      4.200     2.200     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      7.990 ppm2      4.122 CV     1
 OR {  105}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "B   " and resid 54   and name HA  ))
 ASSI {  106}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1925  and name HA  ))
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.10776E-01 ppm1      7.985 ppm2      4.591 CV     1
 ASSI {  107}
   (( segid "C   " and resid 1926  and name H   ))
   (( segid "C   " and resid 1926  and name HA  ))
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.70105E-02 ppm1      7.984 ppm2      4.692 CV     1
 ASSI {  109}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HB2 ))
      2.900     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.10557E-01 ppm1      8.254 ppm2      2.695 CV     1
 OR {  109}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HB3 ))
 ASSI {  110}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1925  and name HA  ))
      2.900     1.100     1.100 peak   110 spectrum    1 weight  0.10000E+01 volume  0.75729E-02 ppm1      8.254 ppm2      4.591 CV     1
 ASSI {  112}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1924  and name HA2 ))
      3.500     1.500     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.52438E-02 ppm1      8.253 ppm2      4.115 CV     1
 ASSI {  113}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1924  and name HA3 ))
      3.600     1.700     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.35461E-02 ppm1      8.253 ppm2      4.058 CV     1
 ASSI {  114}
   (( segid "C   " and resid 1925  and name H   ))
   (( segid "C   " and resid 1926  and name H   ))
      3.400     1.400     1.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.80076E-02 ppm1      8.254 ppm2      7.987 CV     1
 ASSI {  115}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.400     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.33493E-02 ppm1      8.036 ppm2      4.426 CV     1
 ASSI {  118}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1924  and name HA2 ))
      3.300     1.300     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.36228E-02 ppm1      8.028 ppm2      4.110 CV     1
 ASSI {  119}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1924  and name HA3 ))
      3.900     1.900     1.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.28149E-02 ppm1      8.034 ppm2      4.049 CV     1
 ASSI {  120}
   (( segid "C   " and resid 1924  and name H   ))
   (( segid "C   " and resid 1923  and name H   ))
      3.400     1.400     1.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.23882E-02 ppm1      8.027 ppm2      7.617 CV     1
 ASSI {  121}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HA  ))
      2.600     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15783E-01 ppm1      7.615 ppm2      4.416 CV     1
 ASSI {  122}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      3.600     1.600     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.22317E-02 ppm1      7.616 ppm2      4.140 CV     1
 ASSI {  123}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1922  and name HD3 ))
      2.500     2.500     3.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.42492E-02 ppm1      7.616 ppm2      3.320 CV     1
 OR {  123}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1922  and name HD2 ))
 ASSI {  124}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HB3 ))
      2.700     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11541E-01 ppm1      7.615 ppm2      2.081 CV     1
 ASSI {  125}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HB2 ))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11845E-01 ppm1      7.613 ppm2      1.953 CV     1
 ASSI {  126}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HG3 ))
      3.700     1.700     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.10434E-01 ppm1      7.614 ppm2      1.822 CV     1
 OR {  126}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1923  and name HG2 ))
 OR {  126}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1922  and name HG2 ))
 ASSI {  127}
   (( segid "C   " and resid 1923  and name H   ))
   (( segid "C   " and resid 1922  and name H   ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.92859E-02 ppm1      7.615 ppm2      7.677 CV     1
 ASSI {  130}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HA  ))
      2.800     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.82812E-02 ppm1      7.673 ppm2      4.393 CV     1
 ASSI {  131}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
      3.200     1.300     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.28865E-02 ppm1      7.680 ppm2      4.248 CV     1
 ASSI {  132}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HD2 ))
      4.400     2.400     1.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.28916E-02 ppm1      7.678 ppm2      3.325 CV     1
 OR {  132}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HD3 ))
 ASSI {  133}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      4.300     2.300     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13737E-02 ppm1      7.680 ppm2      4.146 CV     1
 ASSI {  134}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1919  and name HA  ))
      3.300     1.400     1.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.23706E-02 ppm1      7.672 ppm2      4.593 CV     1
 ASSI {  135}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HB2 ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.88615E-02 ppm1      7.675 ppm2      2.098 CV     1
 ASSI {  136}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HB3 ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.11388E-01 ppm1      7.675 ppm2      2.008 CV     1
 ASSI {  137}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HG3 ))
      3.600     1.700     1.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.74016E-02 ppm1      7.674 ppm2      1.909 CV     1
 ASSI {  138}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1922  and name HG2 ))
      3.600     1.600     1.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.65400E-02 ppm1      7.674 ppm2      1.826 CV     1
 ASSI {  139}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      4.100     2.100     1.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.27254E-02 ppm1      7.676 ppm2      1.687 CV     1
 OR {  139}
   (( segid "C   " and resid 1922  and name H   ))
   (( segid "C   " and resid 1918  and name HD2 ))
 ASSI {  140}
   (( segid "C   " and resid 1922  and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
      4.400     2.400     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.30143E-02 ppm1      7.676 ppm2      0.909 CV     1
 OR {  140}
   (( segid "C   " and resid 1922  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  141}
   (( segid "C   " and resid 1920  and name H   ))
   (  segid "C   " and resid 1921  and name HD1%)
      4.500     2.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.25122E-02 ppm1      7.827 ppm2      0.918 CV     1
 ASSI {  142}
   (( segid "C   " and resid 1920  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.900     1.900     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.35231E-02 ppm1      7.831 ppm2      1.018 CV     1
 ASSI {  143}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HG2 ))
      2.200     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.41955E-02 ppm1      7.831 ppm2      1.529 CV     1
 ASSI {  144}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1926  and name HG  ))
      4.400     2.400     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.30885E-02 ppm1      7.827 ppm2      1.699 CV     1
 ASSI {  145}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HB2 ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.59546E-02 ppm1      7.829 ppm2      1.934 CV     1
 ASSI {  146}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
      2.800     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.82556E-02 ppm1      7.829 ppm2      1.828 CV     1
 ASSI {  147}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      3.700     1.700     1.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.58625E-02 ppm1      7.830 ppm2      2.074 CV     1
 OR {  147}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1923  and name HB3 ))
 OR {  147}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  147}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {  148}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1919  and name HB3 ))
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.43208E-02 ppm1      7.828 ppm2      3.007 CV     1
 ASSI {  149}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1919  and name HB2 ))
      3.700     1.700     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.35385E-02 ppm1      7.829 ppm2      2.953 CV     1
 ASSI {  150}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1920  and name HA  ))
      2.900     1.000     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.54918E-02 ppm1      7.828 ppm2      4.138 CV     1
 ASSI {  151}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.500     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.33033E-02 ppm1      7.830 ppm2      4.262 CV     1
 ASSI {  153}
   (( segid "C   " and resid 1920  and name H   ))
   (( segid "C   " and resid 1921  and name H   ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.62358E-02 ppm1      7.827 ppm2      8.318 CV     1
 ASSI {  154}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HA  ))
      2.900     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.59290E-02 ppm1      7.476 ppm2      4.595 CV     1
 ASSI {  155}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1916  and name HA  ))
      3.600     1.600     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.27766E-02 ppm1      7.474 ppm2      4.381 CV     1
 ASSI {  156}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.100     1.200     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.27382E-02 ppm1      7.479 ppm2      3.917 CV     1
 ASSI {  157}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      2.800     2.800     3.200 peak   157 spectrum    1 weight  0.10000E+01 volume  0.22121E-02 ppm1      7.479 ppm2      4.107 CV     1
 ASSI {  158}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HB3 ))
      2.700     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.11068E-01 ppm1      7.478 ppm2      2.999 CV     1
 ASSI {  159}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1919  and name HB2 ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      7.476 ppm2      2.959 CV     1
 ASSI {  160}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1920  and name H   ))
      2.400     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.79462E-02 ppm1      7.478 ppm2      7.835 CV     1
 ASSI {  161}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name H   ))
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.62690E-02 ppm1      7.480 ppm2      8.907 CV     1
 ASSI {  162}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HG3 ))
      4.000     2.000     2.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.39654E-02 ppm1      7.478 ppm2      1.538 CV     1
 ASSI {  163}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HD2 ))
      4.700     2.700     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.18107E-02 ppm1      7.472 ppm2      1.688 CV     1
 ASSI {  164}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
      2.900     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.20842E-02 ppm1      7.477 ppm2      1.828 CV     1
 ASSI {  165}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      2.800     1.000     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.86723E-02 ppm1      7.478 ppm2      2.078 CV     1
 OR {  165}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI {  166}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "C   " and resid 1922  and name HB3 ))
      5.000     3.100     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      7.477 ppm2      2.006 CV     1
 ASSI {  167}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "B   " and resid 84   and name HE2 ))
      4.200     2.200     1.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.35947E-02 ppm1      7.474 ppm2      2.121 CV     1
 OR {  167}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "B   " and resid 84   and name HE3 ))
 OR {  167}
   (( segid "C   " and resid 1919  and name H   ))
   (( segid "B   " and resid 84   and name HE1 ))
 ASSI {  168}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1917  and name H   ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.55429E-02 ppm1      8.906 ppm2      8.150 CV     1
 ASSI {  170}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1916  and name H   ))
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.22995E-02 ppm1      8.913 ppm2      7.837 CV     1
 OR {  170}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1920  and name H   ))
 ASSI {  172}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.300     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.24445E-02 ppm1      8.906 ppm2      4.269 CV     1
 ASSI {  173}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.55506E-02 ppm1      8.906 ppm2      3.920 CV     1
 ASSI {  174}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1915  and name HA  ))
      3.700     1.700     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.29632E-02 ppm1      8.903 ppm2      4.094 CV     1
 ASSI {  175}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      1.900     0.400     0.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      8.908 ppm2      2.077 CV     1
 ASSI {  176}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
      4.900     3.000     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.31780E-02 ppm1      8.903 ppm2      1.998 CV     1
 OR {  176}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1922  and name HB3 ))
 OR {  176}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1910  and name HE% )
 OR {  176}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI {  177}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "B   " and resid 84   and name HE2 ))
      3.500     1.600     1.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.31524E-02 ppm1      8.903 ppm2      2.134 CV     1
 OR {  177}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "B   " and resid 84   and name HE1 ))
 OR {  177}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "B   " and resid 84   and name HE3 ))
 ASSI {  178}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HD3 ))
      3.400     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.21001E-02 ppm1      8.902 ppm2      1.816 CV     1
 ASSI {  179}
   (( segid "C   " and resid 1918  and name H   ))
   (( segid "C   " and resid 1918  and name HG3 ))
      4.400     2.400     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.28891E-02 ppm1      8.903 ppm2      1.538 CV     1
 ASSI {  180}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      8.906 ppm2      1.018 CV     1
 ASSI {  181}
   (( segid "C   " and resid 1918  and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.400     2.400     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24411E-02 ppm1      8.909 ppm2      1.183 CV     1
 ASSI {  183}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name H   ))
      2.600     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.59341E-02 ppm1      8.151 ppm2      7.839 CV     1
 ASSI {  184}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name HA  ))
      3.700     1.700     1.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.25521E-02 ppm1      8.151 ppm2      4.382 CV     1
 ASSI {  185}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1917  and name HA  ))
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.48884E-02 ppm1      8.149 ppm2      4.274 CV     1
 ASSI {  186}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.40191E-02 ppm1      8.146 ppm2      4.097 CV     1
 ASSI {  187}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1916  and name HB3 ))
      3.000     1.200     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.47299E-02 ppm1      8.149 ppm2      4.049 CV     1
 ASSI {  188}
   (( segid "C   " and resid 1917  and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.800     1.800     1.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.61156E-02 ppm1      8.151 ppm2      1.018 CV     1
 ASSI {  189}
   (( segid "C   " and resid 1917  and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.400     2.400     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.34132E-02 ppm1      8.152 ppm2      1.184 CV     1
 ASSI {  190}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1917  and name HB2 ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.38887E-02 ppm1      8.152 ppm2      1.647 CV     1
 ASSI {  191}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1917  and name HB3 ))
      2.800     1.000     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.44793E-02 ppm1      8.151 ppm2      1.979 CV     1
 ASSI {  192}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1918  and name HB3 ))
      4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.26641E-02 ppm1      8.153 ppm2      2.077 CV     1
 OR {  192}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI {  193}
   (( segid "C   " and resid 1917  and name H   ))
   (( segid "C   " and resid 1920  and name HG3 ))
      4.600     2.600     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.22773E-02 ppm1      8.153 ppm2      1.817 CV     1
 ASSI {  195}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1917  and name H   ))
      2.600     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.72687E-02 ppm1      7.836 ppm2      8.151 CV     1
 ASSI {  196}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HA  ))
      2.800     1.000     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.92399E-02 ppm1      7.836 ppm2      4.387 CV     1
 ASSI {  197}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.200     1.300     1.300 peak   197 spectrum    1 weight  0.10000E+01 volume  0.48501E-02 ppm1      7.838 ppm2      4.254 CV     1
 ASSI {  198}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
      2.400     0.700     0.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.19487E-01 ppm1      7.837 ppm2      4.095 CV     1
 ASSI {  199}
   (( segid "C   " and resid 1916  and name H   ))
   (( segid "C   " and resid 1916  and name HB3 ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.16015E-01 ppm1      7.838 ppm2      4.054 CV     1
 ASSI {  200}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name H   ))
      2.600     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.52080E-02 ppm1      8.825 ppm2      7.804 CV     1
 ASSI {  202}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "B   " and resid 77   and name HA  ))
      5.600     3.900     0.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13019E-02 ppm1      8.821 ppm2      3.427 CV     1
 OR {  202}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR {  202}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI {  203}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1914  and name HA  ))
      3.000     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.25240E-02 ppm1      8.823 ppm2      3.596 CV     1
 ASSI {  204}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1915  and name HA  ))
      4.600     2.600     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.21208E-02 ppm1      8.823 ppm2      4.099 CV     1
 OR {  204}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1916  and name HB2 ))
 ASSI {  205}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.000     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.53409E-02 ppm1      8.822 ppm2      4.261 CV     1
 OR {  205}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  206}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1914  and name HB  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.58369E-02 ppm1      8.824 ppm2      2.165 CV     1
 ASSI {  207}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
      3.700     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.45509E-02 ppm1      8.825 ppm2      2.322 CV     1
 OR {  207}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  208}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.900     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.23550E-02 ppm1      8.822 ppm2      2.561 CV     1
 ASSI {  209}
   (( segid "C   " and resid 1914  and name H   ))
   (( segid "C   " and resid 1913  and name HG2 ))
      3.600     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.22537E-02 ppm1      8.820 ppm2      2.504 CV     1
 ASSI {  210}
   (( segid "C   " and resid 1914  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.800     1.800     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.55762E-02 ppm1      8.824 ppm2      0.985 CV     1
 ASSI {  211}
   (( segid "C   " and resid 1914  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      2.600     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11170E-01 ppm1      8.825 ppm2      1.170 CV     1
 ASSI {  213}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name H   ))
      2.500     0.800     0.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.65400E-02 ppm1      7.795 ppm2      7.615 CV     1
 ASSI {  214}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HA  ))
      2.900     1.000     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.94470E-02 ppm1      7.797 ppm2      4.255 CV     1
 OR {  214}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  215}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.300     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.41035E-02 ppm1      7.796 ppm2      4.170 CV     1
 ASSI {  216}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.900     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.76241E-02 ppm1      7.797 ppm2      2.559 CV     1
 ASSI {  217}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HG2 ))
      2.000     0.500     0.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.68571E-02 ppm1      7.798 ppm2      2.504 CV     1
 ASSI {  218}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HB3 ))
      3.000     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.80920E-02 ppm1      7.798 ppm2      2.315 CV     1
 OR {  218}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  219}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HB2 ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.48373E-02 ppm1      7.798 ppm2      2.153 CV     1
 ASSI {  220}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HB3 ))
      3.600     1.700     1.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.38734E-02 ppm1      7.800 ppm2      2.067 CV     1
 ASSI {  221}
   (( segid "C   " and resid 1913  and name H   ))
   (( segid "C   " and resid 1912  and name HG3 ))
      4.800     2.800     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.25163E-02 ppm1      7.796 ppm2      1.962 CV     1
 ASSI {  222}
   (( segid "C   " and resid 1913  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.100     2.100     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.40882E-02 ppm1      7.800 ppm2      1.168 CV     1
 ASSI {  224}
   (( segid "C   " and resid 1913  and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
      5.800     4.200     0.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.21213E-02 ppm1      7.800 ppm2      0.991 CV     1
 ASSI {  225}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name H   ))
      2.600     0.800     0.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.67446E-02 ppm1      7.613 ppm2      9.033 CV     1
 ASSI {  227}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.900     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.46660E-02 ppm1      7.614 ppm2      4.252 CV     1
 ASSI {  228}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HA  ))
      2.700     0.900     0.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.95186E-02 ppm1      7.613 ppm2      4.158 CV     1
 ASSI {  229}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HD3 ))
      3.400     1.400     1.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.26896E-02 ppm1      7.615 ppm2      3.395 CV     1
 ASSI {  230}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HD2 ))
      3.600     1.600     1.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.22438E-02 ppm1      7.616 ppm2      3.263 CV     1
 ASSI {  231}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.36101E-02 ppm1      7.613 ppm2      3.153 CV     1
 ASSI {  232}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1911  and name HB3 ))
      2.900     1.000     1.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.33416E-02 ppm1      7.616 ppm2      2.699 CV     1
 ASSI {  233}
   (( segid "C   " and resid 1912  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.400     2.400     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.27127E-02 ppm1      7.609 ppm2      1.577 CV     1
 ASSI {  234}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HG2 ))
      2.800     1.000     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.44282E-02 ppm1      7.613 ppm2      1.699 CV     1
 ASSI {  235}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HG3 ))
      3.600     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.79795E-02 ppm1      7.613 ppm2      1.955 CV     1
 ASSI {  236}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HB3 ))
      3.600     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.74451E-02 ppm1      7.612 ppm2      2.071 CV     1
 ASSI {  237}
   (( segid "C   " and resid 1912  and name H   ))
   (( segid "C   " and resid 1912  and name HB2 ))
      2.500     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.94854E-02 ppm1      7.612 ppm2      2.147 CV     1
 ASSI {  238}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name H   ))
      2.600     0.800     0.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.65170E-02 ppm1      9.028 ppm2      8.138 CV     1
 ASSI {  239}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HD21))
      4.300     2.300     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.29044E-02 ppm1      9.026 ppm2      7.812 CV     1
 ASSI {  241}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HD22))
      5.200     3.400     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.28533E-02 ppm1      9.025 ppm2      7.441 CV     1
 ASSI {  242}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.700     0.900     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.54713E-02 ppm1      9.029 ppm2      4.261 CV     1
 OR {  242}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  243}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.600     1.600     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.24529E-02 ppm1      9.030 ppm2      4.463 CV     1
 ASSI {  244}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.600     0.800     0.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.58446E-02 ppm1      9.028 ppm2      3.152 CV     1
 ASSI {  245}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1911  and name HB3 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.53563E-02 ppm1      9.030 ppm2      2.696 CV     1
 ASSI {  247}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      9.029 ppm2      2.559 CV     1
 ASSI {  248}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      3.900     1.900     1.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.29121E-02 ppm1      9.030 ppm2      1.990 CV     1
 OR {  248}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  249}
   (( segid "C   " and resid 1911  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      3.900     1.900     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.50111E-02 ppm1      9.028 ppm2      1.161 CV     1
 OR {  249}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  249}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  249}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG21))
 ASSI {  250}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG12))
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.30578E-02 ppm1      9.028 ppm2      0.976 CV     1
 OR {  250}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG11))
 OR {  250}
   (( segid "C   " and resid 1911  and name H   ))
   (( segid "A   " and resid 77   and name HG13))
 ASSI {  251}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG23))
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.43234E-02 ppm1      7.816 ppm2      1.164 CV     1
 OR {  251}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG22))
 OR {  251}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG21))
 OR {  251}
   (( segid "C   " and resid 1911  and name HD21))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  252}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG11))
      2.600     0.900     0.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.26513E-02 ppm1      7.819 ppm2      0.966 CV     1
 OR {  252}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG13))
 OR {  252}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 77   and name HG12))
 ASSI {  253}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "C   " and resid 1911  and name HB3 ))
      3.800     1.800     1.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.21517E-02 ppm1      7.820 ppm2      2.685 CV     1
 ASSI {  254}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "C   " and resid 1911  and name HB2 ))
      2.700     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.21758E-02 ppm1      7.812 ppm2      3.153 CV     1
 ASSI {  255}
   (( segid "C   " and resid 1911  and name HD21))
   (  segid "C   " and resid 1907  and name HB% )
      5.300     3.500     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.16580E-02 ppm1      7.805 ppm2      1.638 CV     1
 ASSI {  256}
   (( segid "C   " and resid 1911  and name HD21))
   (( segid "A   " and resid 64   and name HB3 ))
      3.900     1.900     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.18600E-02 ppm1      7.812 ppm2      3.997 CV     1
 ASSI {  257}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HB3 ))
      4.300     2.300     1.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.22755E-02 ppm1      7.434 ppm2      2.689 CV     1
 ASSI {  258}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1911  and name HB2 ))
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.26999E-02 ppm1      7.435 ppm2      3.150 CV     1
 ASSI {  259}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1915  and name HA  ))
      4.800     2.800     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.19743E-02 ppm1      7.427 ppm2      4.077 CV     1
 OR {  259}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "B   " and resid 84   and name HA  ))
 ASSI {  260}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "C   " and resid 1908  and name HA  ))
      4.700     2.800     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.21584E-02 ppm1      7.433 ppm2      4.461 CV     1
 ASSI {  261}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG11))
      4.100     2.100     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.24999E-02 ppm1      7.436 ppm2      0.965 CV     1
 OR {  261}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG13))
 OR {  261}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG12))
 ASSI {  262}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG23))
      3.900     1.900     1.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.39041E-02 ppm1      7.436 ppm2      1.164 CV     1
 OR {  262}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG22))
 OR {  262}
   (( segid "C   " and resid 1911  and name HD22))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  262}
   (( segid "C   " and resid 1911  and name HD22))
   (( segid "A   " and resid 77   and name HG21))
 ASSI {  263}
   (( segid "C   " and resid 1911  and name HD22))
   (  segid "C   " and resid 1907  and name HB% )
      5.800     4.200     0.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.21954E-02 ppm1      7.435 ppm2      1.641 CV     1
 ASSI {  264}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1908  and name H   ))
      4.100     2.100     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.20085E-02 ppm1      8.136 ppm2      8.908 CV     1
 ASSI {  266}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1909  and name H   ))
      2.600     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.11035E-01 ppm1      8.135 ppm2      8.077 CV     1
 ASSI {  267}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1912  and name H   ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.24033E-02 ppm1      8.137 ppm2      7.614 CV     1
 ASSI {  268}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
      2.500     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.79513E-02 ppm1      8.134 ppm2      4.260 CV     1
 ASSI {  269}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      3.700     1.700     1.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.35461E-02 ppm1      8.137 ppm2      4.130 CV     1
 ASSI {  270}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.500     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.31626E-02 ppm1      8.133 ppm2      3.765 CV     1
 ASSI {  271}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HB2 ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.90661E-02 ppm1      8.136 ppm2      2.557 CV     1
 ASSI {  272}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "B   " and resid 73   and name HB3 ))
      4.000     2.000     2.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.77673E-02 ppm1      8.135 ppm2      2.269 CV     1
 ASSI {  273}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "C   " and resid 1910  and name HG3 ))
      3.600     1.600     1.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.66193E-02 ppm1      8.133 ppm2      1.988 CV     1
 ASSI {  274}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG12))
      4.600     2.600     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.21098E-02 ppm1      8.134 ppm2      0.966 CV     1
 OR {  274}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG13))
 OR {  274}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG11))
 ASSI {  275}
   (( segid "C   " and resid 1910  and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.300     2.300     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.53358E-02 ppm1      8.137 ppm2      1.162 CV     1
 OR {  275}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  275}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  275}
   (( segid "C   " and resid 1910  and name H   ))
   (( segid "A   " and resid 77   and name HG21))
 ASSI {  276}
   (( segid "C   " and resid 1910  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      2.400     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.13729E-01 ppm1      8.134 ppm2      1.574 CV     1
 ASSI {  277}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name H   ))
      2.600     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.12390E-01 ppm1      8.066 ppm2      8.905 CV     1
 ASSI {  279}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.400     1.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.47197E-02 ppm1      8.070 ppm2      4.460 CV     1
 ASSI {  280}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1909  and name HA  ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.11866E-01 ppm1      8.068 ppm2      4.134 CV     1
 ASSI {  281}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1906  and name HB  ))
      4.300     2.400     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.22218E-02 ppm1      8.068 ppm2      4.589 CV     1
 ASSI {  282}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1906  and name HA  ))
      3.400     1.400     1.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.25431E-02 ppm1      8.068 ppm2      4.666 CV     1
 ASSI {  283}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HB2 ))
      3.500     1.600     1.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.91658E-02 ppm1      8.067 ppm2      2.935 CV     1
 ASSI {  284}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1908  and name HB3 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10605E-01 ppm1      8.069 ppm2      2.820 CV     1
 ASSI {  285}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1910  and name HA  ))
      4.500     2.600     1.500 peak   285 spectrum    1 weight  0.10000E+01 volume  0.24174E-02 ppm1      8.070 ppm2      4.266 CV     1
 OR {  285}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  286}
   (( segid "C   " and resid 1909  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.37865E-01 ppm1      8.068 ppm2      1.572 CV     1
 ASSI {  287}
   (( segid "C   " and resid 1909  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      4.300     2.300     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.32854E-02 ppm1      8.065 ppm2      1.642 CV     1
 ASSI {  288}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.600     2.600     3.400 peak   288 spectrum    1 weight  0.10000E+01 volume  0.28916E-02 ppm1      8.074 ppm2      2.268 CV     1
 OR {  288}
   (( segid "C   " and resid 1909  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  291}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1907  and name H   ))
      2.600     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.11083E-01 ppm1      8.901 ppm2      7.670 CV     1
 ASSI {  292}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.700     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.12433E-01 ppm1      8.902 ppm2      4.462 CV     1
 ASSI {  293}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1906  and name HA  ))
      3.600     1.600     1.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.30118E-02 ppm1      8.900 ppm2      4.667 CV     1
 ASSI {  294}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      3.300     1.400     1.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.32445E-02 ppm1      8.904 ppm2      3.762 CV     1
 ASSI {  295}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HB3 ))
      2.400     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.18546E-01 ppm1      8.902 ppm2      2.821 CV     1
 ASSI {  296}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "C   " and resid 1908  and name HB2 ))
      2.600     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.21694E-01 ppm1      8.902 ppm2      2.936 CV     1
 ASSI {  298}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "A   " and resid 77   and name HG22))
      4.200     2.200     1.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.29607E-02 ppm1      8.901 ppm2      1.161 CV     1
 OR {  298}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  298}
   (( segid "C   " and resid 1908  and name H   ))
   (( segid "A   " and resid 77   and name HG23))
 ASSI {  299}
   (( segid "C   " and resid 1908  and name H   ))
   (  segid "C   " and resid 1906  and name HG2%)
      4.900     3.000     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.17669E-02 ppm1      8.906 ppm2      1.317 CV     1
 ASSI {  300}
   (( segid "C   " and resid 1908  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.13249E-01 ppm1      8.901 ppm2      1.639 CV     1
 ASSI {  301}
   (( segid "C   " and resid 1908  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.60543E-02 ppm1      8.903 ppm2      1.570 CV     1
 ASSI {  303}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1906  and name HA  ))
      3.200     1.200     1.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.54662E-02 ppm1      7.672 ppm2      4.670 CV     1
 ASSI {  304}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 61   and name HA  ))
      4.500     2.600     1.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.20620E-02 ppm1      7.673 ppm2      4.479 CV     1
 ASSI {  305}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.500     1.500     1.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.34669E-02 ppm1      7.671 ppm2      4.086 CV     1
 ASSI {  306}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1907  and name HA  ))
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.78184E-02 ppm1      7.671 ppm2      3.761 CV     1
 ASSI {  307}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1908  and name HB2 ))
      4.700     2.700     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.31626E-02 ppm1      7.670 ppm2      2.918 CV     1
 ASSI {  308}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      4.500     2.600     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.27306E-02 ppm1      7.668 ppm2      2.281 CV     1
 OR {  308}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  309}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 85   and name HG3 ))
      4.700     2.800     1.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      7.669 ppm2      2.575 CV     1
 OR {  309}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 85   and name HB2 ))
 OR {  309}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "B   " and resid 76   and name HB3 ))
 ASSI {  310}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 77   and name HG22))
      4.700     2.700     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.40600E-02 ppm1      7.671 ppm2      1.158 CV     1
 OR {  310}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  310}
   (( segid "C   " and resid 1907  and name H   ))
   (( segid "A   " and resid 77   and name HG23))
 ASSI {  311}
   (( segid "C   " and resid 1907  and name H   ))
   (  segid "C   " and resid 1906  and name HG2%)
      4.300     2.300     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.28967E-02 ppm1      7.669 ppm2      1.314 CV     1
 ASSI {  312}
   (( segid "C   " and resid 1907  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      2.200     0.600     0.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.24810E-01 ppm1      7.671 ppm2      1.639 CV     1
 ASSI {  313}
   (( segid "C   " and resid 1907  and name H   ))
   (  segid "C   " and resid 1909  and name HB% )
      4.400     2.500     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.26896E-02 ppm1      7.666 ppm2      1.568 CV     1
 OR {  313}
   (( segid "C   " and resid 1907  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {  314}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1906  and name HA  ))
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.77570E-02 ppm1      7.649 ppm2      4.668 CV     1
 ASSI {  315}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1906  and name HB  ))
      3.300     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.39169E-02 ppm1      7.644 ppm2      4.582 CV     1
 ASSI {  316}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.300     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.50725E-02 ppm1      7.648 ppm2      4.089 CV     1
 ASSI {  317}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HG3 ))
      4.000     2.000     2.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.24092E-02 ppm1      7.649 ppm2      2.647 CV     1
 ASSI {  318}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HG2 ))
      4.500     2.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.22438E-02 ppm1      7.644 ppm2      2.559 CV     1
 ASSI {  319}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.800     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.82863E-02 ppm1      7.647 ppm2      2.281 CV     1
 OR {  319}
   (( segid "C   " and resid 1906  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  320}
   (( segid "C   " and resid 1906  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      4.300     2.300     1.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.42365E-02 ppm1      7.647 ppm2      1.640 CV     1
 ASSI {  321}
   (( segid "C   " and resid 1906  and name H   ))
   (  segid "C   " and resid 1906  and name HG2%)
      3.200     1.300     1.300 peak   321 spectrum    1 weight  0.10000E+01 volume  0.10899E-01 ppm1      7.648 ppm2      1.315 CV     1
 ASSI {  322}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1904  and name H   ))
      2.500     0.800     0.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.68980E-02 ppm1      7.644 ppm2      7.460 CV     1
 ASSI {  323}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1904  and name HA  ))
      3.100     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      7.642 ppm2      4.690 CV     1
 ASSI {  324}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1902  and name HA  ))
      3.600     1.600     1.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33391E-02 ppm1      7.643 ppm2      4.654 CV     1
 ASSI {  325}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.21049E-02 ppm1      7.644 ppm2      4.333 CV     1
 ASSI {  326}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HA  ))
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.10102E-01 ppm1      7.643 ppm2      4.092 CV     1
 ASSI {  327}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HG2 ))
      4.100     2.100     1.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.62665E-02 ppm1      7.644 ppm2      2.562 CV     1
 ASSI {  328}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HG3 ))
      3.900     1.900     1.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.68929E-02 ppm1      7.643 ppm2      2.656 CV     1
 ASSI {  329}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.300     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.20640E-01 ppm1      7.644 ppm2      2.284 CV     1
 OR {  329}
   (( segid "C   " and resid 1905  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  330}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1906  and name HG2%)
      4.900     3.000     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.24529E-02 ppm1      7.642 ppm2      1.310 CV     1
 ASSI {  331}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      4.200     2.200     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.28431E-02 ppm1      7.644 ppm2      1.471 CV     1
 ASSI {  332}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      4.300     2.300     1.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.27357E-02 ppm1      7.640 ppm2      1.565 CV     1
 ASSI {  333}
   (( segid "C   " and resid 1905  and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
      4.600     2.700     1.400 peak   333 spectrum    1 weight  0.10000E+01 volume  0.16703E-02 ppm1      7.641 ppm2      1.635 CV     1
 ASSI {  338}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.900     1.900     1.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.22021E-02 ppm1      7.457 ppm2      4.330 CV     1
 ASSI {  340}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1900  and name HA  ))
      3.300     1.400     1.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.14563E-02 ppm1      7.462 ppm2      4.101 CV     1
 ASSI {  341}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1902  and name HB3 ))
      4.200     2.200     1.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.16872E-02 ppm1      7.463 ppm2      2.855 CV     1
 ASSI {  343}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "A   " and resid 85   and name HB3 ))
      5.000     3.100     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      7.461 ppm2      2.283 CV     1
 OR {  343}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1905  and name HB3 ))
 OR {  343}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  344}
   (( segid "C   " and resid 1904  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      2.600     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.52745E-02 ppm1      7.460 ppm2      1.565 CV     1
 ASSI {  345}
   (( segid "C   " and resid 1904  and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.45867E-02 ppm1      7.462 ppm2      1.474 CV     1
 ASSI {  346}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "A   " and resid 58   and name HD12))
      4.500     2.500     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      7.460 ppm2      0.827 CV     1
 OR {  346}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "A   " and resid 58   and name HD11))
 OR {  346}
   (( segid "C   " and resid 1904  and name H   ))
   (( segid "A   " and resid 58   and name HD13))
 ASSI {  347}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name H   ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.87465E-02 ppm1      8.258 ppm2      7.412 CV     1
 ASSI {  348}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1904  and name H   ))
      2.700     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.72431E-02 ppm1      8.258 ppm2      7.452 CV     1
 ASSI {  349}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name HA  ))
      3.400     1.400     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.39348E-02 ppm1      8.257 ppm2      4.657 CV     1
 ASSI {  350}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1903  and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.90226E-02 ppm1      8.257 ppm2      4.337 CV     1
 ASSI {  351}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1900  and name HA  ))
      3.400     1.400     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.39399E-02 ppm1      8.257 ppm2      4.105 CV     1
 ASSI {  352}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name HB2 ))
      3.100     1.200     1.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.87644E-02 ppm1      8.257 ppm2      2.858 CV     1
 OR {  352}
   (( segid "C   " and resid 1903  and name H   ))
   (( segid "C   " and resid 1902  and name HB3 ))
 ASSI {  353}
   (( segid "C   " and resid 1903  and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
      2.000     0.500     0.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.20865E-01 ppm1      8.258 ppm2      1.567 CV     1
 ASSI {  354}
   (( segid "C   " and resid 1903  and name H   ))
   (  segid "C   " and resid 1904  and name HG2%)
      4.500     2.500     1.500 peak   354 spectrum    1 weight  0.10000E+01 volume  0.27842E-02 ppm1      8.254 ppm2      1.484 CV     1
 ASSI {  356}
   (( segid "C   " and resid 1902  and name H   ))
   (( segid "C   " and resid 1902  and name HA  ))
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      7.407 ppm2      4.655 CV     1
 ASSI {  358}
   (( segid "C   " and resid 1902  and name H   ))
   (( segid "C   " and resid 1902  and name HB2 ))
      3.400     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.29095E-02 ppm1      7.401 ppm2      2.853 CV     1
 OR {  358}
   (( segid "C   " and resid 1902  and name H   ))
   (( segid "C   " and resid 1902  and name HB3 ))
 ASSI {  359}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1899  and name HA  ))
      3.600     1.600     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.28916E-02 ppm1      9.107 ppm2      4.580 CV     1
 ASSI {  360}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HA  ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1      9.105 ppm2      4.107 CV     1
 ASSI {  361}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1899  and name HG2 ))
      3.900     1.900     1.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.21315E-02 ppm1      9.104 ppm2      2.462 CV     1
 ASSI {  362}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.400     1.500     1.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.38760E-02 ppm1      9.102 ppm2      2.090 CV     1
 ASSI {  363}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1900  and name HB2 ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17301E-02 ppm1      9.104 ppm2      1.598 CV     1
 ASSI {  364}
   (( segid "C   " and resid 1900  and name H   ))
   (  segid "C   " and resid 1900  and name HD2%)
      3.500     1.500     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.13479E-02 ppm1      9.113 ppm2      1.088 CV     1
 ASSI {  365}
   (( segid "C   " and resid 1900  and name H   ))
   (  segid "C   " and resid 1900  and name HD1%)
      4.000     2.000     2.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      9.100 ppm2      0.985 CV     1
 ASSI {  366}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1897  and name HG3 ))
      4.700     2.800     1.300 peak   366 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      9.106 ppm2      2.378 CV     1
 OR {  366}
   (( segid "C   " and resid 1900  and name H   ))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI {  367}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1900  and name H   ))
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20382E-02 ppm1      8.738 ppm2      9.100 CV     1
 ASSI {  368}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name H   ))
      3.600     1.600     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.44384E-02 ppm1      8.741 ppm2      8.035 CV     1
 ASSI {  369}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1902  and name H   ))
      4.700     2.800     1.300 peak   369 spectrum    1 weight  0.10000E+01 volume  0.15632E-02 ppm1      8.744 ppm2      7.402 CV     1
 ASSI {  370}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HA  ))
      2.000     0.500     0.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.16731E-01 ppm1      8.740 ppm2      4.566 CV     1
 ASSI {  371}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1897  and name HA  ))
      2.800     2.800     3.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.20062E-02 ppm1      8.736 ppm2      4.360 CV     1
 ASSI {  373}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HD3 ))
      4.200     2.200     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.22849E-02 ppm1      8.744 ppm2      3.253 CV     1
 OR {  373}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HD2 ))
 ASSI {  375}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "A   " and resid 45   and name HB3 ))
      4.100     2.100     1.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.23399E-02 ppm1      8.741 ppm2      2.870 CV     1
 OR {  375}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1902  and name HB2 ))
 ASSI {  376}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HG3 ))
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.70437E-02 ppm1      8.741 ppm2      2.545 CV     1
 ASSI {  377}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HG2 ))
      1.900     0.500     0.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.12121E-01 ppm1      8.741 ppm2      2.467 CV     1
 ASSI {  378}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HB2 ))
      3.300     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.11142E-01 ppm1      8.741 ppm2      2.029 CV     1
 OR {  378}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HB2 ))
 ASSI {  379}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HG3 ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      8.744 ppm2      1.783 CV     1
 ASSI {  380}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1898  and name HB3 ))
      3.800     1.800     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.43285E-02 ppm1      8.740 ppm2      1.877 CV     1
 ASSI {  381}
   (( segid "C   " and resid 1899  and name H   ))
   (( segid "C   " and resid 1899  and name HB3 ))
      3.300     1.300     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.49626E-02 ppm1      8.742 ppm2      2.070 CV     1
 ASSI {  382}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HG3 ))
      3.800     1.900     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.80868E-02 ppm1      8.034 ppm2      1.783 CV     1
 ASSI {  383}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HB3 ))
      2.600     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.98049E-02 ppm1      8.035 ppm2      1.883 CV     1
 ASSI {  384}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HB2 ))
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.87823E-02 ppm1      8.032 ppm2      2.042 CV     1
 ASSI {  385}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1897  and name HB2 ))
      4.000     2.000     2.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.55659E-02 ppm1      8.035 ppm2      2.151 CV     1
 ASSI {  387}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1897  and name HG3 ))
      3.600     1.600     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.54355E-02 ppm1      8.034 ppm2      2.378 CV     1
 OR {  387}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI {  388}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HD2 ))
      4.800     2.900     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.23603E-02 ppm1      8.028 ppm2      3.253 CV     1
 OR {  388}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HD3 ))
 ASSI {  389}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1897  and name HA  ))
      2.300     0.700     0.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.21591E-01 ppm1      8.034 ppm2      4.363 CV     1
 ASSI {  390}
   (( segid "C   " and resid 1898  and name H   ))
   (( segid "C   " and resid 1898  and name HA  ))
      2.800     1.000     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.88257E-02 ppm1      8.034 ppm2      4.565 CV     1
 ASSI {    2}
   (( segid "C   " and resid 1935  and name HA  ))
   (( segid "C   " and resid 1935  and name H   ))
      3.000     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.47129E-02 ppm1      4.305 ppm2      8.050 CV     1
 ASSI {    4}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1932  and name HA  ))
      2.400     2.400     3.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.46714E-02 ppm1      1.357 ppm2      4.089 CV     1
 ASSI {    5}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1935  and name HA  ))
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.42678E-01 ppm1      1.356 ppm2      4.308 CV     1
 ASSI {    6}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1933  and name HD3 ))
      3.400     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.24245E-02 ppm1      1.360 ppm2      3.149 CV     1
 ASSI {    8}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1933  and name HB3 ))
      3.300     1.400     1.400 peak     8 spectrum    1 weight  0.10000E+01 volume  0.36161E-02 ppm1      1.358 ppm2      1.773 CV     1
 ASSI {   10}
   (  segid "C   " and resid 1935  and name HB% )
   (( segid "C   " and resid 1935  and name H   ))
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.13545E-01 ppm1      1.357 ppm2      8.044 CV     1
 ASSI {   11}
   (  segid "C   " and resid 1935  and name HB% )
   (  segid "B   " and resid 45   and name HD% )
      4.300     2.400     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.29616E-02 ppm1      1.353 ppm2      7.312 CV     1
 ASSI {   12}
   (( segid "C   " and resid 1934  and name HA  ))
   (( segid "C   " and resid 1934  and name HG2 ))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.87170E-02 ppm1      4.461 ppm2      2.540 CV     1
 ASSI {   13}
   (( segid "C   " and resid 1934  and name HA  ))
   (( segid "C   " and resid 1934  and name HB3 ))
      2.600     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.11626E-01 ppm1      4.462 ppm2      2.115 CV     1
 ASSI {   14}
   (( segid "C   " and resid 1934  and name HA  ))
   (( segid "C   " and resid 1934  and name HB2 ))
      3.100     1.200     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.78011E-02 ppm1      4.461 ppm2      1.948 CV     1
 ASSI {   15}
   (( segid "C   " and resid 1934  and name HB2 ))
   (( segid "C   " and resid 1934  and name HB3 ))
      1.900     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15713E-01 ppm1      1.951 ppm2      2.115 CV     1
 ASSI {   17}
   (( segid "C   " and resid 1934  and name HA  ))
   (( segid "C   " and resid 1934  and name H   ))
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.45835E-02 ppm1      4.463 ppm2      8.088 CV     1
 ASSI {   18}
   (( segid "C   " and resid 1934  and name HA  ))
   (( segid "C   " and resid 1935  and name H   ))
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.58082E-02 ppm1      4.461 ppm2      8.053 CV     1
 ASSI {   19}
   (( segid "C   " and resid 1934  and name HG3 ))
   (( segid "C   " and resid 1934  and name H   ))
      4.100     2.100     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.21852E-02 ppm1      2.557 ppm2      8.092 CV     1
 ASSI {   20}
   (( segid "C   " and resid 1934  and name HG2 ))
   (( segid "C   " and resid 1934  and name H   ))
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.20826E-02 ppm1      2.518 ppm2      8.092 CV     1
 ASSI {   21}
   (( segid "C   " and resid 1934  and name HG3 ))
   (( segid "C   " and resid 1934  and name HA  ))
      3.400     1.500     1.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.43755E-02 ppm1      2.563 ppm2      4.454 CV     1
 ASSI {   23}
   (( segid "C   " and resid 1934  and name HG3 ))
   (( segid "C   " and resid 1934  and name HB2 ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.47681E-02 ppm1      2.565 ppm2      1.943 CV     1
 ASSI {   24}
   (( segid "C   " and resid 1934  and name HG2 ))
   (( segid "C   " and resid 1934  and name HB2 ))
      3.100     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.38228E-02 ppm1      2.526 ppm2      1.943 CV     1
 ASSI {   25}
   (( segid "C   " and resid 1934  and name HG3 ))
   (( segid "C   " and resid 1934  and name HB3 ))
      2.900     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.59969E-02 ppm1      2.564 ppm2      2.119 CV     1
 ASSI {   26}
   (( segid "C   " and resid 1934  and name HG2 ))
   (( segid "C   " and resid 1934  and name HB3 ))
      3.500     1.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.32415E-02 ppm1      2.528 ppm2      2.128 CV     1
 ASSI {   27}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1933  and name HA  ))
      3.200     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.99090E-02 ppm1      2.161 ppm2      4.270 CV     1
 ASSI {   28}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1934  and name HA  ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.76998E-02 ppm1      2.159 ppm2      4.463 CV     1
 ASSI {   29}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.14378E-01 ppm1      2.160 ppm2      4.559 CV     1
 ASSI {   30}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1934  and name HG3 ))
      2.600     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.20407E-01 ppm1      2.161 ppm2      2.550 CV     1
 OR {   30}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1934  and name HB3 ))
 ASSI {   31}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1934  and name H   ))
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.25125E-02 ppm1      2.158 ppm2      8.100 CV     1
 OR {   31}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "B   " and resid 91   and name H   ))
 ASSI {   33}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD12))
      3.400     1.500     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.64342E-02 ppm1      2.160 ppm2      0.834 CV     1
 OR {   33}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD13))
 OR {   33}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD11))
 ASSI {   34}
   (  segid "C   " and resid 1934  and name HE% )
   (  segid "C   " and resid 1930  and name HG1%)
      3.000     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.75940E-02 ppm1      2.158 ppm2      0.937 CV     1
 ASSI {   35}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 13   and name HG12))
      3.800     1.800     1.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.66137E-02 ppm1      2.158 ppm2      1.277 CV     1
 OR {   35}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 13   and name HG13))
 OR {   35}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 13   and name HG11))
 ASSI {   36}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD23))
      4.400     2.400     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.36713E-02 ppm1      2.159 ppm2      0.668 CV     1
 OR {   36}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD22))
 OR {   36}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 9    and name HD21))
 ASSI {   37}
   (  segid "C   " and resid 1934  and name HE% )
   (  segid "B   " and resid 45   and name HE% )
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.74743E-02 ppm1      2.161 ppm2      7.148 CV     1
 ASSI {   40}
   (  segid "C   " and resid 1934  and name HE% )
   (  segid "B   " and resid 45   and name HD% )
      3.800     1.800     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.45532E-02 ppm1      2.157 ppm2      7.313 CV     1
 ASSI {   41}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "B   " and resid 90   and name H   ))
      4.400     2.400     1.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.49246E-02 ppm1      2.161 ppm2      7.747 CV     1
 ASSI {   42}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "B   " and resid 83   and name HA  ))
      4.200     2.200     1.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.33101E-02 ppm1      2.163 ppm2      3.946 CV     1
 OR {   42}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "B   " and resid 88   and name HA  ))
 ASSI {   44}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 13   and name HA  ))
      4.600     2.600     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      2.161 ppm2      4.077 CV     1
 OR {   44}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {   45}
   (  segid "C   " and resid 1934  and name HE% )
   (( segid "C   " and resid 1931  and name HG2 ))
      3.300     1.400     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.47313E-02 ppm1      2.157 ppm2      1.435 CV     1
 ASSI {   51}
   (( segid "C   " and resid 1930  and name HA  ))
   (( segid "C   " and resid 1930  and name HB  ))
      3.200     1.200     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.19749E-02 ppm1      4.304 ppm2      1.879 CV     1
 ASSI {   52}
   (( segid "C   " and resid 1930  and name HA  ))
   (( segid "C   " and resid 1931  and name HD2 ))
      2.900     1.100     1.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.32272E-02 ppm1      4.304 ppm2      3.291 CV     1
 ASSI {   53}
   (( segid "C   " and resid 1930  and name HA  ))
   (( segid "C   " and resid 1931  and name HD3 ))
      2.500     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.35356E-02 ppm1      4.301 ppm2      3.387 CV     1
 ASSI {   54}
   (( segid "C   " and resid 1930  and name HA  ))
   (( segid "C   " and resid 1930  and name H   ))
      3.200     1.300     1.300 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18281E-02 ppm1      4.303 ppm2      7.975 CV     1
 ASSI {   55}
   (( segid "C   " and resid 1930  and name HB  ))
   (( segid "C   " and resid 1930  and name H   ))
      2.900     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.43097E-02 ppm1      1.886 ppm2      7.976 CV     1
 ASSI {   59}
   (  segid "C   " and resid 1930  and name HG1%)
   (  segid "C   " and resid 1930  and name HG2%)
      2.100     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.45306E-01 ppm1      0.934 ppm2      1.019 CV     1
 ASSI {   60}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1930  and name HB  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.22161E-01 ppm1      0.935 ppm2      1.885 CV     1
 ASSI {   61}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1934  and name HG2 ))
      3.900     1.900     1.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.43576E-02 ppm1      0.931 ppm2      2.539 CV     1
 ASSI {   62}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 90   and name HB2 ))
      3.500     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.49200E-02 ppm1      0.935 ppm2      3.051 CV     1
 ASSI {   63}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1931  and name HD2 ))
      2.500     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.10687E-01 ppm1      0.934 ppm2      3.277 CV     1
 ASSI {   64}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1931  and name HD3 ))
      3.500     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.55873E-02 ppm1      0.936 ppm2      3.388 CV     1
 ASSI {   65}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1930  and name HA  ))
      2.300     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.16997E-01 ppm1      0.936 ppm2      4.301 CV     1
 ASSI {   66}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 86   and name HA  ))
      2.200     0.600     0.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.15188E-01 ppm1      0.935 ppm2      4.257 CV     1
 ASSI {   67}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 89   and name HA  ))
      4.500     2.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.27242E-02 ppm1      0.932 ppm2      4.442 CV     1
 OR {   67}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1929  and name HA  ))
 ASSI {   68}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1930  and name HA  ))
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11934E-01 ppm1      1.021 ppm2      4.307 CV     1
 ASSI {   69}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11897E-01 ppm1      1.020 ppm2      4.263 CV     1
 ASSI {   70}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1929  and name HA  ))
      3.600     1.600     1.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.55781E-02 ppm1      1.018 ppm2      4.421 CV     1
 ASSI {   71}
   (  segid "C   " and resid 1930  and name HG1%)
   (  segid "B   " and resid 45   and name HE% )
      3.200     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.36345E-02 ppm1      0.932 ppm2      7.137 CV     1
 ASSI {   72}
   (  segid "C   " and resid 1930  and name HG1%)
   (  segid "B   " and resid 45   and name HD% )
      3.000     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.53894E-02 ppm1      0.935 ppm2      7.323 CV     1
 ASSI {   73}
   (  segid "C   " and resid 1930  and name HG1%)
   (  segid "B   " and resid 89   and name HD% )
      3.900     1.900     1.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.50396E-02 ppm1      0.933 ppm2      7.269 CV     1
 ASSI {   74}
   (  segid "C   " and resid 1930  and name HG2%)
   (  segid "B   " and resid 45   and name HE% )
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.44832E-02 ppm1      1.018 ppm2      7.146 CV     1
 ASSI {   75}
   (  segid "C   " and resid 1930  and name HG2%)
   (  segid "B   " and resid 89   and name HD% )
      3.900     1.900     1.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.59969E-02 ppm1      1.019 ppm2      7.270 CV     1
 ASSI {   76}
   (  segid "C   " and resid 1930  and name HG2%)
   (  segid "B   " and resid 45   and name HD% )
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.94948E-02 ppm1      1.019 ppm2      7.316 CV     1
 ASSI {   77}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "C   " and resid 1930  and name H   ))
      3.200     1.300     1.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.78839E-02 ppm1      0.935 ppm2      7.972 CV     1
 ASSI {   78}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1930  and name H   ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.17710E-01 ppm1      1.020 ppm2      7.976 CV     1
 ASSI {   79}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1931  and name HD2 ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.48647E-02 ppm1      1.021 ppm2      3.282 CV     1
 ASSI {   80}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1931  and name HD3 ))
      3.900     1.900     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.41776E-02 ppm1      1.018 ppm2      3.394 CV     1
 ASSI {   81}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HE3 ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.91128E-02 ppm1      1.022 ppm2      2.097 CV     1
 OR {   81}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {   81}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {   82}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "C   " and resid 1930  and name HB  ))
      2.100     0.600     0.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.24071E-01 ppm1      1.020 ppm2      1.885 CV     1
 ASSI {   83}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HB3 ))
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.53342E-02 ppm1      1.018 ppm2      2.314 CV     1
 ASSI {   84}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HB2 ))
      3.800     1.800     1.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.52145E-02 ppm1      1.020 ppm2      2.469 CV     1
 ASSI {   85}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 85   and name HG3 ))
      4.100     2.100     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.26584E-02 ppm1      1.021 ppm2      2.656 CV     1
 ASSI {   86}
   (  segid "C   " and resid 1930  and name HG2%)
   (( segid "B   " and resid 90   and name HB3 ))
      4.700     2.800     1.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.23320E-02 ppm1      1.019 ppm2      2.928 CV     1
 ASSI {   87}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 85   and name HE3 ))
      3.600     1.600     1.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.52790E-02 ppm1      0.937 ppm2      2.095 CV     1
 OR {   87}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {   87}
   (  segid "C   " and resid 1930  and name HG1%)
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {   90}
   (( segid "C   " and resid 1929  and name HA  ))
   (( segid "C   " and resid 1929  and name H   ))
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.19703E-02 ppm1      4.422 ppm2      8.595 CV     1
 ASSI {   91}
   (( segid "C   " and resid 1929  and name HA  ))
   (( segid "C   " and resid 1930  and name H   ))
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10415E-01 ppm1      4.424 ppm2      7.979 CV     1
 ASSI {   92}
   (( segid "C   " and resid 1929  and name HB  ))
   (( segid "C   " and resid 1929  and name H   ))
      3.700     1.700     1.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.30003E-02 ppm1      2.001 ppm2      8.603 CV     1
 ASSI {   93}
   (( segid "C   " and resid 1929  and name HB  ))
   (( segid "C   " and resid 1930  and name H   ))
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.63191E-02 ppm1      1.997 ppm2      7.975 CV     1
 ASSI {   94}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1929  and name H   ))
      3.300     1.300     1.300 peak    94 spectrum    1 weight  0.10000E+01 volume  0.80266E-02 ppm1      0.873 ppm2      8.598 CV     1
 ASSI {   95}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 48   and name H   ))
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.43074E-02 ppm1      0.875 ppm2      8.265 CV     1
 ASSI {   96}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1930  and name H   ))
      3.300     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.13858E-01 ppm1      0.874 ppm2      7.979 CV     1
 ASSI {   97}
   (  segid "C   " and resid 1929  and name HG1%)
   (  segid "C   " and resid 1928  and name HD% )
      3.700     1.800     1.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.61994E-02 ppm1      0.874 ppm2      7.314 CV     1
 ASSI {   98}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1929  and name H   ))
      2.600     0.800     0.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.13209E-01 ppm1      0.765 ppm2      8.600 CV     1
 ASSI {   99}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 48   and name H   ))
      3.800     1.800     1.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.36879E-02 ppm1      0.766 ppm2      8.270 CV     1
 ASSI {  100}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1930  and name H   ))
      3.500     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.77320E-02 ppm1      0.766 ppm2      7.978 CV     1
 ASSI {  101}
   (  segid "C   " and resid 1929  and name HG2%)
   (  segid "C   " and resid 1928  and name HD% )
      3.700     1.700     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.73961E-02 ppm1      0.765 ppm2      7.314 CV     1
 OR {  101}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 46   and name H   ))
 ASSI {  103}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1928  and name HA  ))
      3.800     1.800     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.31338E-02 ppm1      0.875 ppm2      5.350 CV     1
 ASSI {  104}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1928  and name HA  ))
      3.300     1.400     1.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.40041E-02 ppm1      0.765 ppm2      5.348 CV     1
 ASSI {  105}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 45   and name HA  ))
      4.200     2.200     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.34693E-02 ppm1      0.874 ppm2      4.847 CV     1
 ASSI {  106}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 46   and name HA  ))
      4.500     2.600     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      0.875 ppm2      4.754 CV     1
 ASSI {  107}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.65078E-02 ppm1      0.764 ppm2      4.844 CV     1
 ASSI {  108}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 46   and name HA  ))
      4.000     2.000     2.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.33639E-02 ppm1      0.769 ppm2      4.750 CV     1
 ASSI {  109}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1929  and name HA  ))
      3.200     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.92923E-02 ppm1      0.763 ppm2      4.425 CV     1
 ASSI {  110}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1931  and name HA  ))
      3.400     1.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      0.767 ppm2      4.295 CV     1
 ASSI {  111}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 47   and name HA2 ))
      4.200     2.200     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.52145E-02 ppm1      0.764 ppm2      4.164 CV     1
 ASSI {  112}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1929  and name HA  ))
      2.300     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.18382E-01 ppm1      0.874 ppm2      4.422 CV     1
 ASSI {  113}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1930  and name HA  ))
      4.300     2.300     1.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.36916E-02 ppm1      0.875 ppm2      4.303 CV     1
 ASSI {  114}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 47   and name HA2 ))
      4.700     2.800     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.64802E-02 ppm1      0.873 ppm2      4.167 CV     1
 ASSI {  116}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 47   and name HA3 ))
      3.900     1.900     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.72994E-02 ppm1      0.875 ppm2      3.744 CV     1
 ASSI {  117}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 47   and name HA3 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.43907E-02 ppm1      0.764 ppm2      3.742 CV     1
 ASSI {  118}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1928  and name HB2 ))
      4.300     2.300     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.31319E-02 ppm1      0.870 ppm2      3.074 CV     1
 OR {  118}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 45   and name HB3 ))
 ASSI {  120}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1931  and name HD3 ))
      4.700     2.700     1.300 peak   120 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      0.872 ppm2      3.398 CV     1
 ASSI {  121}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1931  and name HD3 ))
      4.100     2.100     1.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.24715E-02 ppm1      0.762 ppm2      3.406 CV     1
 OR {  121}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "B   " and resid 45   and name HB2 ))
 ASSI {  122}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1928  and name HB2 ))
      4.300     2.300     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.35176E-02 ppm1      0.768 ppm2      3.107 CV     1
 ASSI {  126}
   (( segid "C   " and resid 1929  and name HA  ))
   (( segid "C   " and resid 1929  and name HB  ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.59831E-02 ppm1      4.424 ppm2      1.996 CV     1
 ASSI {  129}
   (  segid "C   " and resid 1929  and name HG1%)
   (  segid "C   " and resid 1929  and name HG2%)
      2.200     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.52606E-01 ppm1      0.874 ppm2      0.770 CV     1
 ASSI {  131}
   (  segid "C   " and resid 1929  and name HG2%)
   (( segid "C   " and resid 1929  and name HB  ))
      2.300     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.26735E-01 ppm1      0.765 ppm2      1.996 CV     1
 ASSI {  132}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "C   " and resid 1929  and name HB  ))
      2.200     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.34251E-01 ppm1      0.874 ppm2      1.996 CV     1
 ASSI {  133}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 85   and name HE1 ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.55137E-02 ppm1      0.875 ppm2      2.094 CV     1
 OR {  133}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 85   and name HE3 ))
 OR {  133}
   (  segid "C   " and resid 1929  and name HG1%)
   (( segid "B   " and resid 85   and name HE2 ))
 ASSI {  134}
   (( segid "C   " and resid 1928  and name HA  ))
   (( segid "C   " and resid 1928  and name H   ))
      3.100     1.200     1.200 peak   134 spectrum    1 weight  0.10000E+01 volume  0.24333E-02 ppm1      5.345 ppm2      7.025 CV     1
 ASSI {  135}
   (( segid "C   " and resid 1928  and name HA  ))
   (  segid "C   " and resid 1928  and name HD% )
      4.000     2.000     2.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.25704E-02 ppm1      5.348 ppm2      7.309 CV     1
 ASSI {  137}
   (( segid "C   " and resid 1928  and name HA  ))
   (( segid "C   " and resid 1929  and name H   ))
      2.700     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.39516E-02 ppm1      5.346 ppm2      8.599 CV     1
 ASSI {  138}
   (( segid "C   " and resid 1928  and name HB2 ))
   (  segid "C   " and resid 1928  and name HD% )
      3.100     1.200     1.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.32663E-02 ppm1      3.090 ppm2      7.319 CV     1
 ASSI {  139}
   (( segid "C   " and resid 1928  and name HB3 ))
   (  segid "C   " and resid 1928  and name HD% )
      2.600     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.36037E-02 ppm1      3.008 ppm2      7.307 CV     1
 ASSI {  140}
   (( segid "C   " and resid 1928  and name HB2 ))
   (( segid "C   " and resid 1928  and name H   ))
      3.800     1.800     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.26487E-02 ppm1      3.091 ppm2      7.026 CV     1
 ASSI {  141}
   (( segid "C   " and resid 1928  and name HB3 ))
   (( segid "C   " and resid 1928  and name H   ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.24908E-02 ppm1      3.004 ppm2      7.029 CV     1
 ASSI {  151}
   (( segid "C   " and resid 1926  and name HB3 ))
   (( segid "C   " and resid 1926  and name HB2 ))
      2.100     0.500     0.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.60890E-02 ppm1      1.353 ppm2      1.856 CV     1
 ASSI {  153}
   (( segid "C   " and resid 1926  and name HB3 ))
   (( segid "C   " and resid 1926  and name H   ))
      3.500     1.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.23845E-02 ppm1      1.355 ppm2      7.979 CV     1
 ASSI {  154}
   (( segid "C   " and resid 1926  and name HB2 ))
   (( segid "C   " and resid 1926  and name H   ))
      3.400     1.400     1.400 peak   154 spectrum    1 weight  0.10000E+01 volume  0.35393E-02 ppm1      1.862 ppm2      7.979 CV     1
 ASSI {  155}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name HB3 ))
      2.900     1.000     1.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11805E-01 ppm1      0.949 ppm2      1.344 CV     1
 ASSI {  156}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name HG  ))
      2.200     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.22501E-01 ppm1      0.947 ppm2      1.687 CV     1
 ASSI {  157}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name HB2 ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.16196E-01 ppm1      0.947 ppm2      1.859 CV     1
 ASSI {  158}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1921  and name HA  ))
      2.300     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.92002E-02 ppm1      0.946 ppm2      4.243 CV     1
 ASSI {  159}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "B   " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.51087E-02 ppm1      0.951 ppm2      4.025 CV     1
 ASSI {  160}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name HA  ))
      3.700     1.700     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.53434E-02 ppm1      0.944 ppm2      4.690 CV     1
 ASSI {  161}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HA  ))
      2.900     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14746E-01 ppm1      0.861 ppm2      4.686 CV     1
 ASSI {  162}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1921  and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.35300E-02 ppm1      0.858 ppm2      4.243 CV     1
 ASSI {  163}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 57   and name HA  ))
      4.100     2.100     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.45628E-02 ppm1      0.857 ppm2      4.108 CV     1
 OR {  163}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 54   and name HA  ))
 ASSI {  164}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.97985E-02 ppm1      0.861 ppm2      4.029 CV     1
 ASSI {  165}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1927  and name HD3 ))
      3.700     1.700     1.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.59095E-02 ppm1      0.862 ppm2      3.699 CV     1
 ASSI {  166}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1927  and name HD2 ))
      2.900     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.60844E-02 ppm1      0.861 ppm2      3.233 CV     1
 ASSI {  167}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1928  and name HB3 ))
      4.000     2.000     2.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.43019E-02 ppm1      0.862 ppm2      3.015 CV     1
 OR {  167}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 57   and name HE2 ))
 ASSI {  168}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      0.863 ppm2      2.861 CV     1
 ASSI {  169}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HB3 ))
      2.300     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.15064E-01 ppm1      0.861 ppm2      1.342 CV     1
 ASSI {  170}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 58   and name HB2 ))
      3.300     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.71890E-02 ppm1      0.861 ppm2      1.496 CV     1
 OR {  170}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 57   and name HG3 ))
 ASSI {  171}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HG  ))
      2.000     0.500     0.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.22796E-01 ppm1      0.860 ppm2      1.686 CV     1
 ASSI {  173}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name HB2 ))
      2.600     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.13329E-01 ppm1      0.861 ppm2      1.873 CV     1
 ASSI {  174}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1921  and name HB3 ))
      3.000     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.13301E-01 ppm1      0.861 ppm2      1.920 CV     1
 OR {  174}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1920  and name HB2 ))
 OR {  174}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 58   and name HB3 ))
 OR {  174}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1920  and name HB3 ))
 OR {  174}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 57   and name HB3 ))
 ASSI {  175}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "B   " and resid 85   and name HE2 ))
      3.600     1.600     1.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.60153E-02 ppm1      0.951 ppm2      2.097 CV     1
 OR {  175}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  175}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "B   " and resid 85   and name HE3 ))
 ASSI {  176}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 85   and name HE2 ))
      4.800     2.900     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.25930E-02 ppm1      0.863 ppm2      2.094 CV     1
 OR {  176}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  176}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "B   " and resid 85   and name HE3 ))
 ASSI {  177}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "B   " and resid 61   and name HB2 ))
      4.600     2.700     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.33450E-02 ppm1      0.946 ppm2      2.872 CV     1
 ASSI {  179}
   (  segid "C   " and resid 1926  and name HD2%)
   (  segid "C   " and resid 1926  and name HD1%)
      1.900     0.400     0.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.55229E-01 ppm1      0.860 ppm2      0.945 CV     1
 ASSI {  180}
   (  segid "C   " and resid 1926  and name HD2%)
   (  segid "C   " and resid 1928  and name HD% )
      4.000     2.000     2.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.39084E-02 ppm1      0.859 ppm2      7.292 CV     1
 ASSI {  181}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1928  and name HZ  ))
      4.100     2.100     1.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.31154E-02 ppm1      0.860 ppm2      7.190 CV     1
 ASSI {  183}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1928  and name H   ))
      4.000     2.000     2.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.31499E-02 ppm1      0.858 ppm2      7.025 CV     1
 ASSI {  184}
   (  segid "C   " and resid 1926  and name HD2%)
   (  segid "B   " and resid 78   and name HE% )
      4.500     2.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.40989E-02 ppm1      0.862 ppm2      6.892 CV     1
 ASSI {  185}
   (  segid "C   " and resid 1926  and name HD2%)
   (( segid "C   " and resid 1926  and name H   ))
      3.200     1.300     1.300 peak   185 spectrum    1 weight  0.10000E+01 volume  0.10277E-01 ppm1      0.862 ppm2      7.989 CV     1
 ASSI {  186}
   (  segid "C   " and resid 1926  and name HD1%)
   (( segid "C   " and resid 1926  and name H   ))
      3.300     1.400     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.70187E-02 ppm1      0.949 ppm2      7.990 CV     1
 ASSI {  187}
   (  segid "C   " and resid 1926  and name HD1%)
   (  segid "C   " and resid 1928  and name HD% )
      2.900     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.63881E-02 ppm1      0.944 ppm2      7.293 CV     1
 ASSI {  188}
   (( segid "C   " and resid 1925  and name HB2 ))
   (( segid "C   " and resid 1925  and name H   ))
      3.200     1.300     1.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.43843E-02 ppm1      2.691 ppm2      8.252 CV     1
 ASSI {  189}
   (( segid "C   " and resid 1925  and name HA  ))
   (( segid "C   " and resid 1925  and name H   ))
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.36939E-02 ppm1      4.583 ppm2      8.250 CV     1
 ASSI {  190}
   (( segid "C   " and resid 1925  and name HA  ))
   (( segid "C   " and resid 1926  and name H   ))
      2.900     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.72166E-02 ppm1      4.581 ppm2      7.981 CV     1
 ASSI {  191}
   (( segid "C   " and resid 1925  and name HB3 ))
   (( segid "C   " and resid 1926  and name H   ))
      4.000     2.000     2.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      2.687 ppm2      7.990 CV     1
 ASSI {  193}
   (( segid "C   " and resid 1925  and name HA  ))
   (( segid "C   " and resid 1925  and name HB2 ))
      2.900     1.000     1.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.15980E-01 ppm1      4.583 ppm2      2.690 CV     1
 ASSI {  194}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name H   ))
      3.100     1.200     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.55137E-02 ppm1      4.424 ppm2      7.615 CV     1
 ASSI {  195}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1924  and name H   ))
      3.700     1.700     1.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.21544E-02 ppm1      4.415 ppm2      8.024 CV     1
 ASSI {  196}
   (( segid "C   " and resid 1923  and name HB3 ))
   (( segid "C   " and resid 1923  and name H   ))
      3.500     1.500     1.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.25889E-02 ppm1      2.069 ppm2      7.623 CV     1
 ASSI {  197}
   (( segid "C   " and resid 1923  and name HB2 ))
   (( segid "C   " and resid 1923  and name H   ))
      2.900     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.40202E-02 ppm1      1.943 ppm2      7.613 CV     1
 ASSI {  200}
   (( segid "C   " and resid 1923  and name HG3 ))
   (( segid "C   " and resid 1923  and name H   ))
      4.200     2.200     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.48095E-02 ppm1      1.834 ppm2      7.614 CV     1
 ASSI {  201}
   (( segid "C   " and resid 1923  and name HG2 ))
   (( segid "C   " and resid 1923  and name H   ))
      4.200     2.200     1.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.41712E-02 ppm1      1.788 ppm2      7.613 CV     1
 ASSI {  202}
   (( segid "C   " and resid 1923  and name HG3 ))
   (( segid "C   " and resid 1923  and name HA  ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.69358E-02 ppm1      1.826 ppm2      4.409 CV     1
 ASSI {  204}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name HD2 ))
      4.200     2.200     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.26109E-02 ppm1      4.419 ppm2      3.325 CV     1
 OR {  204}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name HD3 ))
 ASSI {  205}
   (( segid "C   " and resid 1923  and name HB3 ))
   (( segid "C   " and resid 1923  and name HD2 ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.24807E-02 ppm1      2.060 ppm2      3.311 CV     1
 OR {  205}
   (( segid "C   " and resid 1923  and name HB3 ))
   (( segid "C   " and resid 1923  and name HD3 ))
 ASSI {  206}
   (( segid "C   " and resid 1923  and name HB2 ))
   (( segid "C   " and resid 1923  and name HD2 ))
      3.700     1.700     1.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.28429E-02 ppm1      1.956 ppm2      3.305 CV     1
 OR {  206}
   (( segid "C   " and resid 1923  and name HB2 ))
   (( segid "C   " and resid 1923  and name HD3 ))
 ASSI {  207}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name HG2 ))
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.58819E-02 ppm1      4.425 ppm2      1.802 CV     1
 ASSI {  208}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name HB2 ))
      2.900     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.66229E-02 ppm1      4.421 ppm2      1.948 CV     1
 ASSI {  209}
   (( segid "C   " and resid 1923  and name HA  ))
   (( segid "C   " and resid 1923  and name HB3 ))
      3.200     1.200     1.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.81186E-02 ppm1      4.424 ppm2      2.066 CV     1
 ASSI {  210}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name H   ))
      3.000     1.200     1.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.49200E-02 ppm1      4.390 ppm2      7.663 CV     1
 ASSI {  211}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1923  and name H   ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.50350E-02 ppm1      4.388 ppm2      7.616 CV     1
 ASSI {  212}
   (( segid "C   " and resid 1922  and name HB2 ))
   (( segid "C   " and resid 1922  and name H   ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.46300E-02 ppm1      2.098 ppm2      7.667 CV     1
 ASSI {  213}
   (( segid "C   " and resid 1922  and name HB3 ))
   (( segid "C   " and resid 1922  and name H   ))
      3.800     1.800     1.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.41385E-02 ppm1      2.007 ppm2      7.669 CV     1
 ASSI {  214}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name HD2 ))
      3.500     1.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.35204E-02 ppm1      4.391 ppm2      3.321 CV     1
 OR {  214}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name HD3 ))
 ASSI {  215}
   (( segid "C   " and resid 1922  and name HB2 ))
   (( segid "C   " and resid 1922  and name HD3 ))
      3.400     1.400     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.41712E-02 ppm1      2.100 ppm2      3.316 CV     1
 ASSI {  216}
   (( segid "C   " and resid 1922  and name HB3 ))
   (( segid "C   " and resid 1922  and name HD2 ))
      3.500     1.500     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.37169E-02 ppm1      2.003 ppm2      3.320 CV     1
 ASSI {  217}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name HG2 ))
      2.900     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      4.389 ppm2      1.823 CV     1
 ASSI {  219}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name HB3 ))
      2.900     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.64434E-02 ppm1      4.391 ppm2      2.004 CV     1
 ASSI {  220}
   (( segid "C   " and resid 1922  and name HA  ))
   (( segid "C   " and resid 1922  and name HB2 ))
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.77228E-02 ppm1      4.388 ppm2      2.096 CV     1
 ASSI {  223}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HA  ))
      3.400     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.49752E-02 ppm1      1.899 ppm2      4.390 CV     1
 ASSI {  224}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HD2 ))
      2.500     0.800     0.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.11566E-01 ppm1      1.897 ppm2      3.321 CV     1
 ASSI {  225}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HB2 ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.11027E-01 ppm1      1.899 ppm2      2.094 CV     1
 ASSI {  226}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HB3 ))
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.96651E-02 ppm1      1.899 ppm2      2.005 CV     1
 ASSI {  227}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name HG2 ))
      1.600     0.300     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.38278E-01 ppm1      1.899 ppm2      1.823 CV     1
 ASSI {  229}
   (( segid "C   " and resid 1922  and name HG3 ))
   (( segid "C   " and resid 1922  and name H   ))
      4.100     2.100     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.34693E-02 ppm1      1.903 ppm2      7.671 CV     1
 ASSI {  230}
   (( segid "C   " and resid 1922  and name HG2 ))
   (( segid "C   " and resid 1922  and name H   ))
      4.000     2.000     2.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.34306E-02 ppm1      1.825 ppm2      7.670 CV     1
 ASSI {  231}
   (( segid "C   " and resid 1921  and name HA  ))
   (( segid "C   " and resid 1921  and name H   ))
      3.000     1.100     1.100 peak   231 spectrum    1 weight  0.10000E+01 volume  0.23882E-02 ppm1      4.238 ppm2      8.307 CV     1
 ASSI {  232}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1921  and name H   ))
      3.800     1.800     1.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.45435E-02 ppm1      0.935 ppm2      8.307 CV     1
 ASSI {  233}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1921  and name H   ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.58313E-02 ppm1      0.899 ppm2      8.304 CV     1
 ASSI {  234}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1922  and name H   ))
      4.300     2.300     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.39268E-02 ppm1      0.900 ppm2      7.684 CV     1
 OR {  234}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 78   and name H   ))
 ASSI {  235}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "C   " and resid 1928  and name HD% )
      3.900     1.900     1.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.30988E-02 ppm1      0.896 ppm2      7.306 CV     1
 ASSI {  236}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "B   " and resid 78   and name HD% )
      3.400     1.400     1.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.43166E-02 ppm1      0.896 ppm2      7.018 CV     1
 ASSI {  237}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "B   " and resid 78   and name HE% )
      3.900     1.900     1.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.52928E-02 ppm1      0.900 ppm2      6.892 CV     1
 ASSI {  238}
   (  segid "C   " and resid 1921  and name HD1%)
   (  segid "B   " and resid 78   and name HD% )
      3.000     1.100     1.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.49384E-02 ppm1      0.923 ppm2      7.011 CV     1
 ASSI {  239}
   (( segid "C   " and resid 1921  and name HA  ))
   (  segid "C   " and resid 1921  and name HD2%)
      2.600     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.79576E-02 ppm1      4.238 ppm2      0.918 CV     1
 OR {  239}
   (( segid "C   " and resid 1921  and name HA  ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  240}
   (( segid "C   " and resid 1921  and name HA  ))
   (( segid "C   " and resid 1921  and name HB3 ))
      2.700     0.900     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.33667E-02 ppm1      4.244 ppm2      1.934 CV     1
 OR {  240}
   (( segid "C   " and resid 1921  and name HA  ))
   (( segid "C   " and resid 1920  and name HB2 ))
 ASSI {  241}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "B   " and resid 81   and name HB3 ))
      2.500     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.62685E-02 ppm1      0.929 ppm2      2.571 CV     1
 OR {  241}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "B   " and resid 81   and name HG  ))
 ASSI {  242}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "B   " and resid 85   and name HE2 ))
      3.000     1.100     1.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.74191E-02 ppm1      0.924 ppm2      2.088 CV     1
 OR {  242}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  242}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  242}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "B   " and resid 85   and name HE3 ))
 ASSI {  244}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "C   " and resid 1917  and name HD1%)
      3.600     1.700     1.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.47681E-02 ppm1      0.901 ppm2      1.185 CV     1
 ASSI {  245}
   (  segid "C   " and resid 1921  and name HD2%)
   (  segid "C   " and resid 1917  and name HD2%)
      2.600     0.800     0.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.12081E-01 ppm1      0.899 ppm2      1.008 CV     1
 ASSI {  246}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1926  and name HG  ))
      3.300     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11050E-01 ppm1      0.898 ppm2      1.692 CV     1
 ASSI {  247}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1926  and name HB2 ))
      3.600     1.600     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.61212E-02 ppm1      0.898 ppm2      1.846 CV     1
 OR {  247}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1920  and name HG3 ))
 ASSI {  248}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1921  and name HB2 ))
      2.900     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17650E-01 ppm1      0.898 ppm2      1.976 CV     1
 ASSI {  249}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1921  and name HB3 ))
      2.500     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11340E-01 ppm1      0.898 ppm2      1.926 CV     1
 OR {  249}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1920  and name HB2 ))
 OR {  249}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1920  and name HB3 ))
 ASSI {  250}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 85   and name HE2 ))
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.58128E-02 ppm1      0.901 ppm2      2.095 CV     1
 OR {  250}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 85   and name HE1 ))
 OR {  250}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 85   and name HE3 ))
 ASSI {  251}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 61   and name HB3 ))
      3.000     1.200     1.200 peak   251 spectrum    1 weight  0.10000E+01 volume  0.40087E-02 ppm1      0.900 ppm2      2.337 CV     1
 ASSI {  252}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 82   and name HG12))
      3.500     1.500     1.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.53020E-02 ppm1      0.895 ppm2      0.562 CV     1
 OR {  252}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD13))
 OR {  252}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD12))
 OR {  252}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD11))
 ASSI {  253}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD23))
      3.000     1.200     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.38205E-02 ppm1      0.898 ppm2      0.421 CV     1
 OR {  253}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD21))
 OR {  253}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "B   " and resid 62   and name HD22))
 ASSI {  254}
   (  segid "C   " and resid 1921  and name HD2%)
   (( segid "C   " and resid 1921  and name HA  ))
      2.100     0.600     0.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20292E-01 ppm1      0.898 ppm2      4.244 CV     1
 ASSI {  255}
   (  segid "C   " and resid 1921  and name HD1%)
   (( segid "C   " and resid 1921  and name HB2 ))
      2.300     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.13071E-01 ppm1      0.928 ppm2      1.957 CV     1
 ASSI {  256}
   (  segid "C   " and resid 1921  and name HD1%)
   (  segid "C   " and resid 1917  and name HD2%)
      2.400     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.16960E-01 ppm1      0.924 ppm2      1.000 CV     1
 ASSI {  257}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1920  and name H   ))
      3.200     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.30233E-02 ppm1      4.128 ppm2      7.829 CV     1
 ASSI {  259}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1920  and name HB2 ))
      3.300     1.400     1.400 peak   259 spectrum    1 weight  0.10000E+01 volume  0.44491E-02 ppm1      4.135 ppm2      1.929 CV     1
 ASSI {  260}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1920  and name HG3 ))
      3.900     1.900     1.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.50304E-02 ppm1      4.130 ppm2      1.826 CV     1
 ASSI {  261}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1920  and name HG2 ))
      3.400     1.500     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.30919E-02 ppm1      4.140 ppm2      1.533 CV     1
 ASSI {  262}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1923  and name HB3 ))
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.32221E-02 ppm1      4.136 ppm2      2.081 CV     1
 OR {  262}
   (( segid "C   " and resid 1920  and name HA  ))
   (( segid "C   " and resid 1922  and name HB2 ))
 ASSI {  263}
   (( segid "C   " and resid 1919  and name HA  ))
   (( segid "C   " and resid 1919  and name H   ))
      3.300     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.28829E-02 ppm1      4.588 ppm2      7.470 CV     1
 ASSI {  264}
   (( segid "C   " and resid 1919  and name HB3 ))
   (( segid "C   " and resid 1919  and name H   ))
      3.100     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.55275E-02 ppm1      2.996 ppm2      7.475 CV     1
 ASSI {  265}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1919  and name H   ))
      2.600     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.62501E-02 ppm1      2.944 ppm2      7.474 CV     1
 ASSI {  266}
   (( segid "C   " and resid 1919  and name HB3 ))
   (( segid "C   " and resid 1919  and name HD21))
      3.400     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.27173E-02 ppm1      2.994 ppm2      7.656 CV     1
 ASSI {  267}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1919  and name HD21))
      3.400     1.400     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.24982E-02 ppm1      2.946 ppm2      7.659 CV     1
 ASSI {  268}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1920  and name H   ))
      3.700     1.700     1.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.36695E-02 ppm1      2.938 ppm2      7.833 CV     1
 ASSI {  269}
   (( segid "C   " and resid 1919  and name HB3 ))
   (( segid "C   " and resid 1920  and name H   ))
      3.100     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.27067E-02 ppm1      3.004 ppm2      7.828 CV     1
 ASSI {  270}
   (( segid "C   " and resid 1919  and name HB3 ))
   (( segid "C   " and resid 1919  and name HA  ))
      3.400     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.38126E-02 ppm1      2.995 ppm2      4.592 CV     1
 ASSI {  271}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1919  and name HA  ))
      2.900     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.47129E-02 ppm1      2.948 ppm2      4.594 CV     1
 ASSI {  272}
   (( segid "C   " and resid 1919  and name HB3 ))
   (( segid "C   " and resid 1919  and name HD22))
      4.800     2.900     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      3.004 ppm2      7.043 CV     1
 ASSI {  273}
   (( segid "C   " and resid 1919  and name HB2 ))
   (( segid "C   " and resid 1919  and name HD22))
      4.600     2.700     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19882E-02 ppm1      2.952 ppm2      7.040 CV     1
 ASSI {  275}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1918  and name H   ))
      2.800     1.000     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30970E-02 ppm1      3.904 ppm2      8.896 CV     1
 ASSI {  276}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name H   ))
      2.300     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.47681E-02 ppm1      2.075 ppm2      8.910 CV     1
 OR {  276}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  277}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name H   ))
      4.200     2.200     1.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.27311E-02 ppm1      1.534 ppm2      8.899 CV     1
 OR {  277}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  279}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1919  and name H   ))
      4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.23850E-02 ppm1      2.070 ppm2      7.466 CV     1
 ASSI {  280}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1918  and name HG3 ))
      3.000     1.100     1.100 peak   280 spectrum    1 weight  0.10000E+01 volume  0.47957E-02 ppm1      3.919 ppm2      1.534 CV     1
 OR {  280}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1918  and name HG2 ))
 ASSI {  281}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1918  and name HB2 ))
      2.200     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.75433E-02 ppm1      3.909 ppm2      2.071 CV     1
 OR {  281}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1918  and name HB3 ))
 ASSI {  282}
   (( segid "C   " and resid 1918  and name HA  ))
   (( segid "C   " and resid 1921  and name HB2 ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.32364E-02 ppm1      3.916 ppm2      1.954 CV     1
 ASSI {  284}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "B   " and resid 84   and name HA  ))
      4.700     2.800     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.25184E-02 ppm1      2.067 ppm2      4.070 CV     1
 ASSI {  286}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1917  and name HA  ))
      3.700     1.700     1.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.77228E-02 ppm1      2.069 ppm2      4.285 CV     1
 OR {  286}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1917  and name HA  ))
 OR {  286}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "B   " and resid 80   and name HB2 ))
 OR {  286}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "B   " and resid 80   and name HB2 ))
 ASSI {  287}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1915  and name HA  ))
      4.400     2.400     1.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.30772E-02 ppm1      1.535 ppm2      4.111 CV     1
 OR {  287}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1915  and name HA  ))
 ASSI {  289}
   (( segid "C   " and resid 1918  and name HD3 ))
   (( segid "C   " and resid 1918  and name HA  ))
      3.900     1.900     1.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.24641E-02 ppm1      1.774 ppm2      3.920 CV     1
 ASSI {  291}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name HG3 ))
      2.300     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.73823E-02 ppm1      2.076 ppm2      1.539 CV     1
 OR {  291}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name HG2 ))
 OR {  291}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name HG3 ))
 OR {  291}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name HG2 ))
 ASSI {  293}
   (( segid "C   " and resid 1918  and name HA  ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.900     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.25760E-02 ppm1      3.919 ppm2      0.919 CV     1
 ASSI {  294}
   (( segid "C   " and resid 1918  and name HB3 ))
   (  segid "C   " and resid 1914  and name HG2%)
      4.000     2.000     2.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.21834E-02 ppm1      2.066 ppm2      0.991 CV     1
 OR {  294}
   (( segid "C   " and resid 1918  and name HB2 ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI {  295}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HD3 ))
      2.600     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.92508E-02 ppm1      1.539 ppm2      1.778 CV     1
 OR {  295}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HD3 ))
 ASSI {  296}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HD2 ))
      2.200     0.600     0.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11547E-01 ppm1      1.538 ppm2      1.666 CV     1
 OR {  296}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HD2 ))
 ASSI {  297}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HB2 ))
      2.200     0.600     0.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.10365E-01 ppm1      1.534 ppm2      2.073 CV     1
 OR {  297}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HB2 ))
 OR {  297}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HB3 ))
 OR {  297}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HB3 ))
 ASSI {  298}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "B   " and resid 84   and name HE2 ))
      3.000     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.51639E-02 ppm1      1.535 ppm2      2.140 CV     1
 OR {  298}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "B   " and resid 84   and name HE2 ))
 OR {  298}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "B   " and resid 84   and name HE1 ))
 OR {  298}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "B   " and resid 84   and name HE3 ))
 OR {  298}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "B   " and resid 84   and name HE1 ))
 ASSI {  299}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.86479E-02 ppm1      1.533 ppm2      3.043 CV     1
 OR {  299}
   (( segid "C   " and resid 1918  and name HG2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 OR {  299}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 OR {  299}
   (( segid "C   " and resid 1918  and name HG3 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 ASSI {  300}
   (( segid "C   " and resid 1918  and name HD3 ))
   (( segid "C   " and resid 1918  and name HE2 ))
      2.600     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.63375E-02 ppm1      1.789 ppm2      3.043 CV     1
 OR {  300}
   (( segid "C   " and resid 1918  and name HD3 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 ASSI {  301}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.83810E-02 ppm1      1.681 ppm2      3.041 CV     1
 OR {  301}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 ASSI {  303}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HG2 ))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.14695E-01 ppm1      1.672 ppm2      1.534 CV     1
 ASSI {  304}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HD3 ))
      1.500     0.300     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.24250E-01 ppm1      1.671 ppm2      1.775 CV     1
 ASSI {  305}
   (( segid "C   " and resid 1918  and name HD3 ))
   (( segid "C   " and resid 1918  and name HB3 ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.31232E-02 ppm1      1.786 ppm2      2.065 CV     1
 OR {  305}
   (( segid "C   " and resid 1918  and name HD3 ))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI {  306}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HB3 ))
      3.000     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.49200E-02 ppm1      1.668 ppm2      2.077 CV     1
 OR {  306}
   (( segid "C   " and resid 1918  and name HD2 ))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI {  307}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name HE3 ))
      4.400     2.400     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.26073E-02 ppm1      2.070 ppm2      3.048 CV     1
 OR {  307}
   (( segid "C   " and resid 1918  and name HB3 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 OR {  307}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 OR {  307}
   (( segid "C   " and resid 1918  and name HB2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 ASSI {  308}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name H   ))
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.45288E-02 ppm1      1.018 ppm2      8.143 CV     1
 ASSI {  309}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1920  and name H   ))
      4.000     2.000     2.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.37915E-02 ppm1      1.014 ppm2      7.825 CV     1
 OR {  309}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1916  and name H   ))
 ASSI {  310}
   (  segid "C   " and resid 1917  and name HD1%)
   (  segid "B   " and resid 78   and name HD% )
      4.000     2.000     2.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.56794E-02 ppm1      1.184 ppm2      7.016 CV     1
 ASSI {  311}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.20062E-01 ppm1      1.016 ppm2      4.268 CV     1
 OR {  311}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name HA  ))
 ASSI {  312}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.74329E-02 ppm1      1.183 ppm2      4.335 CV     1
 ASSI {  313}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HA  ))
      3.600     1.600     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.49890E-02 ppm1      1.183 ppm2      4.274 CV     1
 ASSI {  314}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.37657E-02 ppm1      1.019 ppm2      4.331 CV     1
 ASSI {  315}
   (  segid "C   " and resid 1917  and name HD1%)
   (  segid "C   " and resid 1917  and name HD2%)
      2.300     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.21930E-01 ppm1      1.183 ppm2      1.016 CV     1
 ASSI {  316}
   (  segid "C   " and resid 1917  and name HD1%)
   (  segid "C   " and resid 1921  and name HD1%)
      3.400     1.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.78241E-02 ppm1      1.182 ppm2      0.920 CV     1
 ASSI {  318}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD12))
      2.900     1.000     1.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.55827E-02 ppm1      1.187 ppm2      0.561 CV     1
 OR {  318}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD11))
 OR {  318}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD13))
 ASSI {  320}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD23))
      4.500     2.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.20034E-02 ppm1      1.180 ppm2      0.422 CV     1
 OR {  320}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD21))
 OR {  320}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 62   and name HD22))
 ASSI {  321}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HB3 ))
      2.900     1.100     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.51961E-02 ppm1      1.181 ppm2      1.978 CV     1
 ASSI {  322}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1920  and name HG3 ))
      3.400     1.400     1.400 peak   322 spectrum    1 weight  0.10000E+01 volume  0.66137E-02 ppm1      1.185 ppm2      1.826 CV     1
 ASSI {  323}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1917  and name HB2 ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.47037E-02 ppm1      1.184 ppm2      1.642 CV     1
 ASSI {  324}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 81   and name HG  ))
      3.800     1.900     1.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33832E-02 ppm1      1.186 ppm2      2.569 CV     1
 OR {  324}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 81   and name HB3 ))
 OR {  324}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI {  325}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1913  and name HB2 ))
      3.900     1.900     1.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.22975E-02 ppm1      1.183 ppm2      2.317 CV     1
 OR {  325}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  327}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 78   and name HB3 ))
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.23910E-02 ppm1      1.186 ppm2      3.232 CV     1
 ASSI {  328}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 78   and name HB2 ))
      3.700     1.800     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.20375E-02 ppm1      1.185 ppm2      3.416 CV     1
 OR {  328}
   (  segid "C   " and resid 1917  and name HD1%)
   (( segid "B   " and resid 77   and name HA  ))
 ASSI {  329}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.46806E-02 ppm1      1.017 ppm2      2.876 CV     1
 ASSI {  330}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1918  and name HE3 ))
      4.600     2.600     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32525E-02 ppm1      1.017 ppm2      3.042 CV     1
 OR {  330}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1918  and name HE2 ))
 ASSI {  331}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 61   and name HB3 ))
      3.300     1.400     1.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.69128E-02 ppm1      1.017 ppm2      2.329 CV     1
 OR {  331}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1913  and name HB2 ))
 OR {  331}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  332}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1918  and name HB2 ))
      3.800     1.800     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.59647E-02 ppm1      1.019 ppm2      2.067 CV     1
 OR {  332}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1918  and name HB3 ))
 ASSI {  333}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name HB3 ))
      2.300     0.700     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.12795E-01 ppm1      1.016 ppm2      1.971 CV     1
 ASSI {  334}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1920  and name HG3 ))
      2.300     0.600     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17015E-01 ppm1      1.016 ppm2      1.829 CV     1
 ASSI {  335}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HB2 ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.92002E-02 ppm1      1.017 ppm2      1.667 CV     1
 ASSI {  337}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD12))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.10926E-01 ppm1      1.015 ppm2      0.562 CV     1
 OR {  337}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD13))
 OR {  337}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD11))
 ASSI {  338}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD23))
      3.400     1.500     1.500 peak   338 spectrum    1 weight  0.10000E+01 volume  0.39429E-02 ppm1      1.016 ppm2      0.420 CV     1
 OR {  338}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD21))
 OR {  338}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "B   " and resid 62   and name HD22))
 ASSI {  339}
   (( segid "C   " and resid 1917  and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.100     1.200     1.200 peak   339 spectrum    1 weight  0.10000E+01 volume  0.55505E-02 ppm1      4.267 ppm2      1.009 CV     1
 ASSI {  340}
   (  segid "C   " and resid 1917  and name HD2%)
   (( segid "C   " and resid 1917  and name HB2 ))
      3.200     1.300     1.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.73362E-02 ppm1      1.016 ppm2      1.642 CV     1
 ASSI {  341}
   (( segid "C   " and resid 1916  and name HA  ))
   (( segid "C   " and resid 1916  and name H   ))
      3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.41417E-02 ppm1      4.379 ppm2      7.831 CV     1
 ASSI {  342}
   (( segid "C   " and resid 1916  and name HB3 ))
   (( segid "C   " and resid 1916  and name H   ))
      2.900     1.000     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.79023E-02 ppm1      4.041 ppm2      7.835 CV     1
 ASSI {  343}
   (( segid "C   " and resid 1916  and name HB2 ))
   (( segid "C   " and resid 1916  and name H   ))
      2.700     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.99688E-02 ppm1      4.094 ppm2      7.835 CV     1
 ASSI {  344}
   (( segid "C   " and resid 1916  and name HB2 ))
   (( segid "C   " and resid 1917  and name H   ))
      3.900     1.900     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.36184E-02 ppm1      4.092 ppm2      8.149 CV     1
 ASSI {  345}
   (( segid "C   " and resid 1916  and name HB3 ))
   (( segid "C   " and resid 1917  and name H   ))
      3.200     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.38508E-02 ppm1      4.038 ppm2      8.149 CV     1
 ASSI {  347}
   (( segid "C   " and resid 1915  and name HB3 ))
   (( segid "C   " and resid 1915  and name H   ))
      3.400     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.20191E-02 ppm1      4.032 ppm2      8.454 CV     1
 OR {  347}
   (( segid "C   " and resid 1915  and name HB2 ))
   (( segid "C   " and resid 1915  and name H   ))
 ASSI {  348}
   (( segid "C   " and resid 1916  and name HB2 ))
   (( segid "C   " and resid 1916  and name HA  ))
      2.900     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.75295E-02 ppm1      4.093 ppm2      4.382 CV     1
 ASSI {  349}
   (( segid "C   " and resid 1916  and name HB3 ))
   (( segid "C   " and resid 1916  and name HA  ))
      3.300     1.300     1.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.61442E-02 ppm1      4.044 ppm2      4.383 CV     1
 ASSI {  350}
   (( segid "C   " and resid 1916  and name HB2 ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.500     1.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.44952E-02 ppm1      4.094 ppm2      4.240 CV     1
 ASSI {  351}
   (( segid "C   " and resid 1916  and name HB3 ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.100     1.200     1.200 peak   351 spectrum    1 weight  0.10000E+01 volume  0.43042E-02 ppm1      4.043 ppm2      4.242 CV     1
 ASSI {  352}
   (( segid "C   " and resid 1916  and name HA  ))
   (( segid "C   " and resid 1919  and name HB2 ))
      3.400     1.500     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.25230E-02 ppm1      4.387 ppm2      2.957 CV     1
 ASSI {  356}
   (( segid "C   " and resid 1915  and name HA  ))
   (( segid "C   " and resid 1915  and name H   ))
      3.200     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.24747E-02 ppm1      4.093 ppm2      8.448 CV     1
 ASSI {  357}
   (( segid "C   " and resid 1914  and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.600     1.600     1.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.67379E-02 ppm1      3.595 ppm2      1.014 CV     1
 ASSI {  359}
   (( segid "C   " and resid 1914  and name HA  ))
   (( segid "C   " and resid 1914  and name H   ))
      3.200     1.200     1.200 peak   359 spectrum    1 weight  0.10000E+01 volume  0.19938E-02 ppm1      3.594 ppm2      8.839 CV     1
 ASSI {  360}
   (( segid "C   " and resid 1914  and name HB  ))
   (( segid "C   " and resid 1914  and name H   ))
      2.800     1.000     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19169E-02 ppm1      2.150 ppm2      8.820 CV     1
 ASSI {  361}
   (( segid "C   " and resid 1914  and name HB  ))
   (  segid "C   " and resid 1914  and name HG1%)
      2.600     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.33938E-02 ppm1      2.166 ppm2      1.163 CV     1
 ASSI {  362}
   (( segid "C   " and resid 1914  and name HB  ))
   (  segid "C   " and resid 1914  and name HG2%)
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.31821E-02 ppm1      2.164 ppm2      0.985 CV     1
 ASSI {  363}
   (  segid "C   " and resid 1914  and name HG1%)
   (  segid "C   " and resid 1914  and name HG2%)
      1.900     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.34527E-01 ppm1      1.165 ppm2      0.979 CV     1
 ASSI {  364}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 77   and name HG21))
      3.500     1.500     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.12150E-01 ppm1      1.165 ppm2      1.036 CV     1
 OR {  364}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 77   and name HG23))
 OR {  364}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 77   and name HG22))
 ASSI {  366}
   (  segid "C   " and resid 1914  and name HG1%)
   (  segid "C   " and resid 1910  and name HE% )
      4.800     2.800     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.51271E-02 ppm1      1.168 ppm2      2.001 CV     1
 ASSI {  367}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name HB  ))
      2.100     0.500     0.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12620E-01 ppm1      1.165 ppm2      2.158 CV     1
 OR {  367}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 84   and name HE3 ))
 OR {  367}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 84   and name HE1 ))
 OR {  367}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 84   and name HE2 ))
 ASSI {  368}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 77   and name HB  ))
      4.600     2.600     1.400 peak   368 spectrum    1 weight  0.10000E+01 volume  0.59187E-02 ppm1      1.164 ppm2      2.310 CV     1
 OR {  368}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1913  and name HB2 ))
 OR {  368}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  369}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 81   and name HG  ))
      3.900     1.900     1.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.69957E-02 ppm1      1.165 ppm2      2.557 CV     1
 OR {  369}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {  369}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 81   and name HB3 ))
 OR {  369}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1910  and name HB3 ))
 OR {  369}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI {  370}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name HA  ))
      2.900     1.100     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.92232E-02 ppm1      1.164 ppm2      3.593 CV     1
 ASSI {  371}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "A   " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.15004E-01 ppm1      1.165 ppm2      3.429 CV     1
 OR {  371}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 80   and name HB3 ))
 OR {  371}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 77   and name HA  ))
 ASSI {  372}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "A   " and resid 75   and name HB2 ))
      4.400     1.400     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.34127E-02 ppm1      1.163 ppm2      3.280 CV     1
 OR {  372}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 79   and name HA  ))
 OR {  372}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1912  and name HD2 ))
 ASSI {  373}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HB2 ))
      4.200     2.200     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      1.162 ppm2      3.160 CV     1
 ASSI {  374}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1914  and name HB  ))
      1.800     0.400     0.400 peak   374 spectrum    1 weight  0.10000E+01 volume  0.31821E-01 ppm1      0.982 ppm2      2.149 CV     1
 OR {  374}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 84   and name HE3 ))
 OR {  374}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 84   and name HE1 ))
 OR {  374}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 84   and name HE2 ))
 ASSI {  375}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1913  and name HB2 ))
      4.800     2.900     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.48878E-02 ppm1      0.985 ppm2      2.319 CV     1
 OR {  375}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  376}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 84   and name HB3 ))
      4.000     2.000     2.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.95914E-02 ppm1      0.979 ppm2      2.374 CV     1
 OR {  376}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "A   " and resid 77   and name HB  ))
 ASSI {  377}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 81   and name HG  ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.80404E-02 ppm1      0.980 ppm2      2.566 CV     1
 OR {  377}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1913  and name HG3 ))
 OR {  377}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "A   " and resid 76   and name HB3 ))
 OR {  377}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 81   and name HB3 ))
 ASSI {  378}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 85   and name HB2 ))
      4.100     2.100     1.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.72442E-02 ppm1      0.983 ppm2      2.471 CV     1
 ASSI {  379}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1911  and name HB2 ))
      4.600     2.600     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.42103E-02 ppm1      0.987 ppm2      3.159 CV     1
 ASSI {  380}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 80   and name HB3 ))
      2.600     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.57300E-02 ppm1      0.982 ppm2      3.427 CV     1
 OR {  380}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 77   and name HA  ))
 OR {  380}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "A   " and resid 77   and name HA  ))
 ASSI {  381}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1914  and name HA  ))
      2.300     0.700     0.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.77366E-02 ppm1      0.982 ppm2      3.595 CV     1
 ASSI {  382}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1915  and name HA  ))
      3.300     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.31029E-02 ppm1      1.165 ppm2      4.096 CV     1
 ASSI {  383}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1918  and name HA  ))
      5.500     3.800     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24176E-02 ppm1      1.169 ppm2      3.911 CV     1
 ASSI {  384}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HA  ))
      2.100     0.600     0.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.65768E-02 ppm1      1.167 ppm2      4.247 CV     1
 ASSI {  385}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "A   " and resid 74   and name HA  ))
      4.100     2.100     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.55551E-02 ppm1      1.165 ppm2      4.303 CV     1
 OR {  385}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 80   and name HB2 ))
 ASSI {  386}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 80   and name HA  ))
      3.800     1.800     1.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.30270E-02 ppm1      0.987 ppm2      3.889 CV     1
 ASSI {  387}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1915  and name HA  ))
      4.200     2.200     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.42172E-02 ppm1      0.987 ppm2      4.092 CV     1
 OR {  387}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 84   and name HA  ))
 ASSI {  388}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1911  and name HA  ))
      3.900     1.900     1.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.52191E-02 ppm1      0.981 ppm2      4.251 CV     1
 OR {  388}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "A   " and resid 80   and name HB2 ))
 OR {  388}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  389}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.46015E-02 ppm1      0.981 ppm2      4.348 CV     1
 ASSI {  391}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1912  and name H   ))
      3.900     1.900     1.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.38320E-02 ppm1      1.163 ppm2      7.612 CV     1
 OR {  391}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  392}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1911  and name HD21))
      3.500     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27868E-02 ppm1      1.161 ppm2      7.804 CV     1
 ASSI {  393}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "B   " and resid 81   and name H   ))
      3.000     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.46010E-02 ppm1      0.983 ppm2      7.608 CV     1
 ASSI {  394}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1915  and name H   ))
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.45854E-02 ppm1      1.165 ppm2      8.432 CV     1
 ASSI {  395}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1915  and name H   ))
      4.000     2.000     2.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.48187E-02 ppm1      0.982 ppm2      8.445 CV     1
 ASSI {  396}
   (  segid "C   " and resid 1914  and name HG1%)
   (( segid "C   " and resid 1914  and name H   ))
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.98814E-02 ppm1      1.165 ppm2      8.819 CV     1
 ASSI {  397}
   (  segid "C   " and resid 1914  and name HG2%)
   (( segid "C   " and resid 1914  and name H   ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.65676E-02 ppm1      0.985 ppm2      8.820 CV     1
 ASSI {  401}
   (( segid "C   " and resid 1913  and name HA  ))
   (( segid "C   " and resid 1913  and name HB3 ))
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.48095E-02 ppm1      4.242 ppm2      2.315 CV     1
 OR {  401}
   (( segid "C   " and resid 1913  and name HA  ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  403}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.400     1.400     1.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.80956E-02 ppm1      2.556 ppm2      4.248 CV     1
 ASSI {  404}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "C   " and resid 1913  and name HA  ))
      3.600     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.66459E-02 ppm1      2.494 ppm2      4.246 CV     1
 ASSI {  405}
   (( segid "C   " and resid 1913  and name HG3 ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.100     2.100     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.31904E-02 ppm1      2.561 ppm2      1.172 CV     1
 OR {  405}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  405}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  405}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "B   " and resid 77   and name HG13))
 ASSI {  406}
   (( segid "C   " and resid 1913  and name HG2 ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.800     2.900     1.200 peak   406 spectrum    1 weight  0.10000E+01 volume  0.34596E-02 ppm1      2.494 ppm2      1.166 CV     1
 OR {  406}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  406}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  406}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "B   " and resid 77   and name HG13))
 ASSI {  407}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "C   " and resid 1913  and name HB3 ))
      2.500     0.800     0.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.97893E-02 ppm1      2.497 ppm2      2.313 CV     1
 OR {  407}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "C   " and resid 1913  and name HB2 ))
 ASSI {  408}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "C   " and resid 1913  and name HB2 ))
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.10061E-01 ppm1      2.557 ppm2      2.305 CV     1
 OR {  408}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "C   " and resid 1913  and name HB3 ))
 ASSI {  409}
   (( segid "C   " and resid 1913  and name HG3 ))
   (( segid "C   " and resid 1913  and name H   ))
      3.000     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.64204E-02 ppm1      2.559 ppm2      7.801 CV     1
 ASSI {  410}
   (( segid "C   " and resid 1913  and name HG2 ))
   (( segid "C   " and resid 1913  and name H   ))
      2.200     0.600     0.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      2.500 ppm2      7.800 CV     1
 ASSI {  411}
   (( segid "C   " and resid 1913  and name HA  ))
   (( segid "C   " and resid 1913  and name H   ))
      3.200     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.31964E-02 ppm1      4.244 ppm2      7.815 CV     1
 ASSI {  412}
   (( segid "C   " and resid 1913  and name HB3 ))
   (( segid "C   " and resid 1913  and name H   ))
      3.800     1.800     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.19629E-02 ppm1      2.318 ppm2      7.803 CV     1
 OR {  412}
   (( segid "C   " and resid 1913  and name HB2 ))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI {  414}
   (( segid "C   " and resid 1912  and name HA  ))
   (( segid "C   " and resid 1912  and name H   ))
      3.100     1.200     1.200 peak   414 spectrum    1 weight  0.10000E+01 volume  0.44146E-02 ppm1      4.159 ppm2      7.610 CV     1
 ASSI {  415}
   (( segid "C   " and resid 1912  and name HA  ))
   (( segid "C   " and resid 1913  and name H   ))
      3.800     1.800     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.18700E-02 ppm1      4.157 ppm2      7.826 CV     1
 ASSI {  416}
   (( segid "C   " and resid 1912  and name HB3 ))
   (( segid "C   " and resid 1912  and name H   ))
      4.000     2.000     2.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.39097E-02 ppm1      2.066 ppm2      7.605 CV     1
 ASSI {  417}
   (( segid "C   " and resid 1912  and name HB3 ))
   (( segid "C   " and resid 1913  and name H   ))
      4.100     2.100     1.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      2.059 ppm2      7.812 CV     1
 ASSI {  418}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name H   ))
      2.900     1.100     1.100 peak   418 spectrum    1 weight  0.10000E+01 volume  0.34458E-02 ppm1      1.696 ppm2      7.610 CV     1
 ASSI {  419}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name H   ))
      3.900     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.47865E-02 ppm1      1.946 ppm2      7.609 CV     1
 ASSI {  420}
   (( segid "C   " and resid 1912  and name HD3 ))
   (( segid "C   " and resid 1912  and name H   ))
      3.300     1.400     1.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.30362E-02 ppm1      3.388 ppm2      7.612 CV     1
 ASSI {  421}
   (( segid "C   " and resid 1912  and name HD2 ))
   (( segid "C   " and resid 1912  and name H   ))
      3.200     1.300     1.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.44211E-02 ppm1      3.271 ppm2      7.607 CV     1
 ASSI {  423}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.600     1.600     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.52053E-02 ppm1      1.698 ppm2      4.146 CV     1
 ASSI {  424}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HA  ))
      3.800     1.800     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.41366E-02 ppm1      1.950 ppm2      4.155 CV     1
 ASSI {  425}
   (( segid "C   " and resid 1912  and name HA  ))
   (( segid "C   " and resid 1912  and name HB2 ))
      3.400     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.51409E-02 ppm1      4.160 ppm2      2.144 CV     1
 ASSI {  426}
   (( segid "C   " and resid 1912  and name HA  ))
   (( segid "C   " and resid 1912  and name HB3 ))
      2.900     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.48233E-02 ppm1      4.151 ppm2      2.058 CV     1
 ASSI {  430}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name HD2 ))
      2.900     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.58635E-02 ppm1      1.692 ppm2      3.269 CV     1
 ASSI {  432}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HD2 ))
      3.000     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.51133E-02 ppm1      1.945 ppm2      3.275 CV     1
 ASSI {  433}
   (( segid "C   " and resid 1912  and name HD3 ))
   (( segid "C   " and resid 1912  and name HB2 ))
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.46945E-02 ppm1      3.381 ppm2      2.139 CV     1
 ASSI {  434}
   (( segid "C   " and resid 1912  and name HD3 ))
   (( segid "C   " and resid 1912  and name HB3 ))
      3.700     1.700     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.53664E-02 ppm1      3.385 ppm2      2.068 CV     1
 ASSI {  435}
   (( segid "C   " and resid 1912  and name HD3 ))
   (( segid "C   " and resid 1912  and name HG3 ))
      2.600     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.11718E-01 ppm1      3.385 ppm2      1.950 CV     1
 ASSI {  436}
   (( segid "C   " and resid 1912  and name HD3 ))
   (( segid "C   " and resid 1912  and name HG2 ))
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.13503E-01 ppm1      3.384 ppm2      1.693 CV     1
 ASSI {  437}
   (( segid "C   " and resid 1912  and name HB2 ))
   (( segid "C   " and resid 1912  and name H   ))
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.27145E-02 ppm1      2.144 ppm2      7.601 CV     1
 ASSI {  438}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name HB3 ))
      3.300     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.59049E-02 ppm1      1.698 ppm2      2.070 CV     1
 ASSI {  439}
   (( segid "C   " and resid 1912  and name HG2 ))
   (( segid "C   " and resid 1912  and name HB2 ))
      2.900     1.100     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.35590E-02 ppm1      1.695 ppm2      2.141 CV     1
 ASSI {  440}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HG2 ))
      1.800     0.400     0.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.16951E-01 ppm1      1.951 ppm2      1.696 CV     1
 ASSI {  441}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HB2 ))
      3.100     1.200     1.200 peak   441 spectrum    1 weight  0.10000E+01 volume  0.51179E-02 ppm1      1.949 ppm2      2.140 CV     1
 ASSI {  442}
   (( segid "C   " and resid 1912  and name HG3 ))
   (( segid "C   " and resid 1912  and name HB3 ))
      2.600     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.71659E-02 ppm1      1.954 ppm2      2.068 CV     1
 ASSI {  446}
   (( segid "C   " and resid 1911  and name HA  ))
   (( segid "C   " and resid 1911  and name HD21))
      2.900     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.36644E-02 ppm1      4.253 ppm2      7.805 CV     1
 ASSI {  448}
   (( segid "C   " and resid 1911  and name HA  ))
   (( segid "C   " and resid 1912  and name H   ))
      3.200     1.300     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.27509E-02 ppm1      4.254 ppm2      7.596 CV     1
 ASSI {  449}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1911  and name HB3 ))
      2.000     0.500     0.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.72580E-02 ppm1      3.149 ppm2      2.692 CV     1
 ASSI {  451}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1911  and name HA  ))
      2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.30422E-02 ppm1      3.145 ppm2      4.238 CV     1
 ASSI {  452}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1911  and name HA  ))
      3.200     1.300     1.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.28517E-02 ppm1      2.690 ppm2      4.259 CV     1
 ASSI {  454}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.400     1.400     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.21571E-02 ppm1      3.149 ppm2      4.462 CV     1
 ASSI {  455}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.500     1.600     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.16661E-02 ppm1      2.695 ppm2      4.451 CV     1
 ASSI {  456}
   (( segid "C   " and resid 1911  and name HB3 ))
   (  segid "C   " and resid 1914  and name HG2%)
      5.500     3.800     0.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      2.704 ppm2      0.972 CV     1
 ASSI {  457}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1912  and name H   ))
      4.100     2.100     1.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.22027E-02 ppm1      3.162 ppm2      7.605 CV     1
 ASSI {  458}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1911  and name HD22))
      3.900     1.900     1.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.25194E-02 ppm1      3.151 ppm2      7.433 CV     1
 ASSI {  459}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1912  and name H   ))
      2.900     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.34606E-02 ppm1      2.695 ppm2      7.599 CV     1
 ASSI {  460}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1911  and name HD22))
      4.000     2.000     2.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.34237E-02 ppm1      2.689 ppm2      7.416 CV     1
 ASSI {  461}
   (( segid "C   " and resid 1911  and name HA  ))
   (( segid "C   " and resid 1911  and name H   ))
      2.900     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.32419E-02 ppm1      4.257 ppm2      9.030 CV     1
 ASSI {  462}
   (( segid "C   " and resid 1911  and name HB2 ))
   (( segid "C   " and resid 1911  and name H   ))
      2.800     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.35393E-02 ppm1      3.153 ppm2      9.025 CV     1
 ASSI {  463}
   (( segid "C   " and resid 1911  and name HB3 ))
   (( segid "C   " and resid 1911  and name H   ))
      3.000     1.100     1.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.40750E-02 ppm1      2.695 ppm2      9.022 CV     1
 ASSI {  464}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "C   " and resid 1910  and name H   ))
      3.100     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.23113E-02 ppm1      4.254 ppm2      8.126 CV     1
 ASSI {  465}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1910  and name H   ))
      2.300     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.86893E-02 ppm1      2.554 ppm2      8.133 CV     1
 OR {  465}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  471}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.50442E-02 ppm1      4.263 ppm2      1.997 CV     1
 OR {  471}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI {  472}
   (( segid "C   " and resid 1910  and name HA  ))
   (  segid "C   " and resid 1914  and name HG2%)
      3.700     1.700     1.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.62501E-02 ppm1      4.254 ppm2      0.967 CV     1
 OR {  472}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "A   " and resid 77   and name HG12))
 OR {  472}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "A   " and resid 77   and name HG13))
 ASSI {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.100     2.100     1.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.60568E-02 ppm1      4.252 ppm2      1.164 CV     1
 OR {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "B   " and resid 77   and name HG13))
 OR {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  473}
   (( segid "C   " and resid 1910  and name HA  ))
   (( segid "A   " and resid 77   and name HG23))
 ASSI {  474}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG22))
      3.600     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13711E-01 ppm1      2.554 ppm2      1.162 CV     1
 OR {  474}
   (( segid "C   " and resid 1910  and name HB3 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  474}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  474}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "B   " and resid 77   and name HG11))
 ASSI {  475}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG12))
      3.300     1.400     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.51179E-02 ppm1      2.557 ppm2      0.967 CV     1
 OR {  475}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG13))
 OR {  475}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG12))
 OR {  475}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "A   " and resid 77   and name HG11))
 OR {  475}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG13))
 OR {  475}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "A   " and resid 77   and name HG11))
 ASSI {  480}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1907  and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.35273E-02 ppm1      2.557 ppm2      3.758 CV     1
 OR {  480}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1907  and name HA  ))
 ASSI {  481}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1910  and name HA  ))
      2.300     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.84592E-02 ppm1      2.554 ppm2      4.259 CV     1
 OR {  481}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  482}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1910  and name HG3 ))
      2.100     0.500     0.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.13701E-01 ppm1      2.556 ppm2      1.985 CV     1
 OR {  482}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR {  482}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR {  482}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1910  and name HG2 ))
 ASSI {  484}
   (( segid "C   " and resid 1910  and name HB3 ))
   (( segid "C   " and resid 1911  and name H   ))
      3.200     1.300     1.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.24775E-02 ppm1      2.556 ppm2      9.022 CV     1
 OR {  484}
   (( segid "C   " and resid 1910  and name HB2 ))
   (( segid "C   " and resid 1911  and name H   ))
 ASSI {  485}
   (( segid "C   " and resid 1910  and name HG2 ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.200     2.200     1.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.39378E-02 ppm1      1.980 ppm2      1.165 CV     1
 OR {  485}
   (( segid "C   " and resid 1910  and name HG3 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR {  485}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "A   " and resid 77   and name HG23))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "A   " and resid 77   and name HG22))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  485}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "B   " and resid 77   and name HG11))
 ASSI {  486}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "A   " and resid 73   and name HB3 ))
      4.400     2.400     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.34992E-02 ppm1      1.994 ppm2      2.266 CV     1
 OR {  486}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "B   " and resid 73   and name HB3 ))
 OR {  486}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "B   " and resid 73   and name HB3 ))
 ASSI {  487}
   (( segid "C   " and resid 1910  and name HG2 ))
   (( segid "C   " and resid 1910  and name H   ))
      4.200     2.200     1.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22524E-02 ppm1      1.974 ppm2      8.129 CV     1
 OR {  487}
   (( segid "C   " and resid 1910  and name HG3 ))
   (( segid "C   " and resid 1910  and name H   ))
 ASSI {  488}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG21))
      3.100     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.13365E-01 ppm1      2.007 ppm2      1.013 CV     1
 OR {  488}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG22))
 OR {  488}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG23))
 ASSI {  489}
   (  segid "C   " and resid 1910  and name HE% )
   (  segid "C   " and resid 1914  and name HG2%)
      3.500     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.18009E-01 ppm1      2.006 ppm2      0.970 CV     1
 OR {  489}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 77   and name HG12))
 OR {  489}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 77   and name HG13))
 ASSI {  490}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG12))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.94027E-01 ppm1      2.007 ppm2      1.163 CV     1
 OR {  490}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG13))
 OR {  490}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HG11))
 OR {  490}
   (  segid "C   " and resid 1910  and name HE% )
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI {  492}
   (  segid "C   " and resid 1910  and name HE% )
   (  segid "C   " and resid 1906  and name HG2%)
      4.100     2.100     1.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.49292E-02 ppm1      2.007 ppm2      1.308 CV     1
 ASSI {  493}
   (( segid "C   " and resid 1910  and name HB2 ))
   (  segid "C   " and resid 1906  and name HG2%)
      4.200     2.200     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.23629E-02 ppm1      2.554 ppm2      1.312 CV     1
 OR {  493}
   (( segid "C   " and resid 1910  and name HB3 ))
   (  segid "C   " and resid 1906  and name HG2%)
 ASSI {  494}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name HE3 ))
      1.900     0.500     0.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.41127E-01 ppm1      2.008 ppm2      2.227 CV     1
 OR {  494}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name HE1 ))
 OR {  494}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name HE2 ))
 ASSI {  495}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HB  ))
      2.000     0.500     0.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.22128E-01 ppm1      2.008 ppm2      2.294 CV     1
 OR {  495}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 73   and name HB3 ))
 ASSI {  496}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 73   and name HG2 ))
      2.400     0.700     0.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.27407E-01 ppm1      2.008 ppm2      2.422 CV     1
 ASSI {  497}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1910  and name HB2 ))
      1.800     0.400     0.400 peak   497 spectrum    1 weight  0.10000E+01 volume  0.38117E-01 ppm1      2.007 ppm2      2.561 CV     1
 OR {  497}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1910  and name HB3 ))
 ASSI {  498}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name HG3 ))
      4.100     2.100     1.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.48463E-02 ppm1      2.008 ppm2      2.803 CV     1
 ASSI {  499}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 81   and name HG  ))
      2.600     0.800     0.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.12344E-01 ppm1      2.006 ppm2      2.905 CV     1
 ASSI {  500}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.19349E-01 ppm1      2.007 ppm2      3.128 CV     1
 ASSI {  501}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name HA  ))
      1.900     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.45863E-01 ppm1      2.007 ppm2      3.434 CV     1
 OR {  501}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 80   and name HB3 ))
 OR {  501}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 80   and name HB3 ))
 ASSI {  502}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.15234E-01 ppm1      2.007 ppm2      3.319 CV     1
 OR {  502}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 75   and name HB2 ))
 ASSI {  503}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1907  and name HA  ))
      4.400     2.400     1.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.47175E-02 ppm1      2.007 ppm2      3.758 CV     1
 ASSI {  504}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.83258E-02 ppm1      2.007 ppm2      3.567 CV     1
 ASSI {  505}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.22469E-01 ppm1      2.007 ppm2      3.969 CV     1
 OR {  505}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 80   and name HA  ))
 ASSI {  506}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name HA  ))
      4.700     2.800     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.28503E-02 ppm1      2.008 ppm2      4.058 CV     1
 OR {  506}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 12   and name HA  ))
 ASSI {  507}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.31347E-01 ppm1      2.007 ppm2      4.255 CV     1
 OR {  507}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1910  and name HA  ))
 ASSI {  509}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 78   and name H   ))
      3.500     1.500     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.97065E-02 ppm1      2.006 ppm2      7.661 CV     1
 ASSI {  510}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1910  and name H   ))
      4.000     2.000     2.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.76216E-02 ppm1      2.008 ppm2      8.136 CV     1
 ASSI {  511}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 77   and name H   ))
      2.300     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.11419E-01 ppm1      2.006 ppm2      8.370 CV     1
 ASSI {  512}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 73   and name H   ))
      3.600     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10466E-01 ppm1      2.007 ppm2      8.277 CV     1
 OR {  512}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 80   and name H   ))
 ASSI {  513}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 81   and name H   ))
      3.400     1.400     1.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.78839E-02 ppm1      2.006 ppm2      8.572 CV     1
 OR {  513}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  514}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1911  and name H   ))
      4.500     2.600     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.37330E-02 ppm1      2.007 ppm2      9.011 CV     1
 ASSI {  515}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "A   " and resid 84   and name H   ))
      4.000     2.000     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.46162E-02 ppm1      2.009 ppm2      8.910 CV     1
 OR {  515}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1918  and name H   ))
 ASSI {  516}
   (  segid "C   " and resid 1910  and name HE% )
   (( segid "C   " and resid 1914  and name H   ))
      5.000     3.100     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.28696E-02 ppm1      2.006 ppm2      8.814 CV     1
 ASSI {  517}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1909  and name H   ))
      2.300     0.600     0.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.32875E-01 ppm1      1.569 ppm2      8.064 CV     1
 ASSI {  518}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name H   ))
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.14507E-01 ppm1      1.572 ppm2      8.125 CV     1
 ASSI {  519}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1911  and name H   ))
      4.400     2.400     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.27352E-02 ppm1      1.568 ppm2      9.033 CV     1
 ASSI {  520}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1908  and name H   ))
      4.500     2.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.36939E-02 ppm1      1.568 ppm2      8.905 CV     1
 ASSI {  521}
   (( segid "C   " and resid 1909  and name HA  ))
   (( segid "C   " and resid 1909  and name H   ))
      3.100     1.200     1.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.50719E-02 ppm1      4.133 ppm2      8.066 CV     1
 ASSI {  522}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1906  and name H   ))
      4.500     2.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.26409E-02 ppm1      1.571 ppm2      7.654 CV     1
 OR {  522}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1907  and name H   ))
 ASSI {  523}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1906  and name HB  ))
      3.700     1.700     1.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.53020E-02 ppm1      1.568 ppm2      4.577 CV     1
 ASSI {  524}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name HA  ))
      3.900     1.900     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.39880E-02 ppm1      1.571 ppm2      4.252 CV     1
 ASSI {  525}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1909  and name HA  ))
      2.200     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.35360E-01 ppm1      1.569 ppm2      4.127 CV     1
 ASSI {  526}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1908  and name HB2 ))
      4.500     2.500     1.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.41238E-02 ppm1      1.569 ppm2      2.936 CV     1
 ASSI {  530}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name HB3 ))
      4.000     2.000     2.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.59693E-02 ppm1      1.568 ppm2      2.552 CV     1
 OR {  530}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI {  532}
   (  segid "C   " and resid 1909  and name HB% )
   (  segid "C   " and resid 1906  and name HG2%)
      3.200     1.300     1.300 peak   532 spectrum    1 weight  0.10000E+01 volume  0.57898E-02 ppm1      1.570 ppm2      1.311 CV     1
 ASSI {  533}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "B   " and resid 73   and name HB3 ))
      4.600     2.700     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.24135E-02 ppm1      1.573 ppm2      2.270 CV     1
 ASSI {  534}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1912  and name HB2 ))
      4.200     2.200     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.29101E-02 ppm1      1.570 ppm2      2.144 CV     1
 OR {  534}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1914  and name HB  ))
 ASSI {  535}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1912  and name HB3 ))
      5.100     3.200     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.28572E-02 ppm1      1.567 ppm2      2.069 CV     1
 ASSI {  536}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name HG2 ))
      4.900     3.000     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.31559E-02 ppm1      1.569 ppm2      1.972 CV     1
 OR {  536}
   (  segid "C   " and resid 1909  and name HB% )
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  539}
   (( segid "C   " and resid 1908  and name HB2 ))
   (( segid "C   " and resid 1908  and name HB3 ))
      1.700     0.400     0.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.44091E-01 ppm1      2.933 ppm2      2.816 CV     1
 ASSI {  541}
   (( segid "C   " and resid 1908  and name HB2 ))
   (( segid "C   " and resid 1908  and name HA  ))
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10420E-01 ppm1      2.935 ppm2      4.459 CV     1
 ASSI {  542}
   (( segid "C   " and resid 1908  and name HB3 ))
   (( segid "C   " and resid 1908  and name HA  ))
      3.100     1.200     1.200 peak   542 spectrum    1 weight  0.10000E+01 volume  0.96328E-02 ppm1      2.816 ppm2      4.458 CV     1
 ASSI {  544}
   (( segid "C   " and resid 1908  and name HB3 ))
   (  segid "C   " and resid 1909  and name HB% )
      4.300     2.300     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.32419E-02 ppm1      2.817 ppm2      1.578 CV     1
 ASSI {  545}
   (( segid "C   " and resid 1908  and name HA  ))
   (( segid "C   " and resid 1908  and name H   ))
      3.200     1.300     1.300 peak   545 spectrum    1 weight  0.10000E+01 volume  0.48924E-02 ppm1      4.449 ppm2      8.898 CV     1
 ASSI {  546}
   (( segid "C   " and resid 1908  and name HB2 ))
   (( segid "C   " and resid 1909  and name H   ))
      3.700     1.700     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.67932E-02 ppm1      2.934 ppm2      8.064 CV     1
 ASSI {  547}
   (( segid "C   " and resid 1908  and name HB3 ))
   (( segid "C   " and resid 1909  and name H   ))
      2.800     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.71475E-02 ppm1      2.816 ppm2      8.062 CV     1
 ASSI {  548}
   (( segid "C   " and resid 1908  and name HB2 ))
   (( segid "C   " and resid 1908  and name H   ))
      2.900     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.13283E-01 ppm1      2.932 ppm2      8.899 CV     1
 ASSI {  549}
   (( segid "C   " and resid 1908  and name HB3 ))
   (( segid "C   " and resid 1908  and name H   ))
      2.600     0.800     0.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.12137E-01 ppm1      2.815 ppm2      8.898 CV     1
 ASSI {  550}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "A   " and resid 81   and name HG  ))
      3.300     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.17222E-02 ppm1      3.767 ppm2      2.895 CV     1
 ASSI {  553}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "B   " and resid 73   and name HB3 ))
      5.100     3.300     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.24342E-02 ppm1      3.758 ppm2      2.267 CV     1
 OR {  553}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1905  and name HB3 ))
 OR {  553}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "A   " and resid 73   and name HB3 ))
 OR {  553}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  554}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1910  and name HG2 ))
      4.000     2.000     2.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.24338E-02 ppm1      3.754 ppm2      1.968 CV     1
 OR {  554}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI {  556}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "A   " and resid 77   and name HG22))
      3.400     1.400     1.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.56057E-02 ppm1      3.763 ppm2      1.160 CV     1
 OR {  556}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  556}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "A   " and resid 77   and name HG23))
 ASSI {  557}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 77   and name HG22))
      2.200     0.600     0.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.19270E-01 ppm1      1.635 ppm2      1.158 CV     1
 OR {  557}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 77   and name HG21))
 OR {  557}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 77   and name HG23))
 ASSI {  558}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD11))
      3.500     1.500     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.13853E-01 ppm1      1.635 ppm2      0.914 CV     1
 OR {  558}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD13))
 OR {  558}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD12))
 ASSI {  560}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD23))
      3.300     1.400     1.400 peak   560 spectrum    1 weight  0.10000E+01 volume  0.25111E-02 ppm1      1.636 ppm2      0.291 CV     1
 OR {  560}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD22))
 OR {  560}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HD21))
 ASSI {  561}
   (  segid "C   " and resid 1907  and name HB% )
   (  segid "C   " and resid 1904  and name HG2%)
      3.700     1.700     1.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.29768E-02 ppm1      1.634 ppm2      1.471 CV     1
 ASSI {  562}
   (  segid "C   " and resid 1907  and name HB% )
   (  segid "C   " and resid 1910  and name HE% )
      5.100     3.200     0.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.31315E-02 ppm1      1.639 ppm2      1.998 CV     1
 ASSI {  563}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.21751E-02 ppm1      1.633 ppm2      2.368 CV     1
 ASSI {  564}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 85   and name HE2 ))
      4.400     2.400     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.33496E-02 ppm1      1.639 ppm2      2.253 CV     1
 OR {  564}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  564}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 85   and name HE1 ))
 ASSI {  565}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1910  and name HB3 ))
      4.500     2.500     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.27992E-02 ppm1      1.639 ppm2      2.562 CV     1
 OR {  565}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1910  and name HB2 ))
 ASSI {  566}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 61   and name HB3 ))
      2.600     0.900     0.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.73500E-02 ppm1      1.635 ppm2      2.913 CV     1
 ASSI {  568}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1907  and name HA  ))
      2.200     0.600     0.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.15860E-01 ppm1      1.635 ppm2      3.757 CV     1
 ASSI {  569}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.96697E-02 ppm1      1.638 ppm2      4.322 CV     1
 OR {  569}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 74   and name HA  ))
 ASSI {  570}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.37657E-02 ppm1      1.636 ppm2      4.476 CV     1
 ASSI {  572}
   (( segid "C   " and resid 1907  and name HA  ))
   (( segid "C   " and resid 1907  and name H   ))
      2.800     1.000     1.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.45527E-02 ppm1      3.757 ppm2      7.661 CV     1
 ASSI {  573}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1911  and name HD22))
      5.400     3.700     0.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.33934E-02 ppm1      1.637 ppm2      7.436 CV     1
 ASSI {  574}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1907  and name H   ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.25226E-01 ppm1      1.636 ppm2      7.664 CV     1
 ASSI {  575}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1911  and name HD21))
      4.700     2.800     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.32102E-02 ppm1      1.634 ppm2      7.811 CV     1
 ASSI {  576}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1911  and name H   ))
      4.300     2.300     1.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.23205E-02 ppm1      1.637 ppm2      9.015 CV     1
 ASSI {  577}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1908  and name H   ))
      2.700     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.92186E-02 ppm1      1.633 ppm2      8.896 CV     1
 ASSI {  578}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 78   and name H   ))
      4.300     2.300     1.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.25773E-02 ppm1      1.636 ppm2      8.243 CV     1
 OR {  578}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "A   " and resid 61   and name H   ))
 ASSI {  579}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1910  and name H   ))
      4.800     2.800     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.19754E-02 ppm1      1.636 ppm2      8.132 CV     1
 ASSI {  581}
   (  segid "C   " and resid 1907  and name HB% )
   (( segid "C   " and resid 1909  and name H   ))
      4.600     2.700     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.19726E-02 ppm1      1.637 ppm2      8.054 CV     1
 ASSI {  584}
   (( segid "C   " and resid 1906  and name HB  ))
   (( segid "C   " and resid 1906  and name HA  ))
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.68898E-02 ppm1      4.583 ppm2      4.651 CV     1
 ASSI {  585}
   (( segid "C   " and resid 1906  and name HB  ))
   (( segid "C   " and resid 1906  and name H   ))
      3.400     1.400     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.32180E-02 ppm1      4.578 ppm2      7.655 CV     1
 ASSI {  586}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1909  and name H   ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.36746E-02 ppm1      1.311 ppm2      8.060 CV     1
 ASSI {  588}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1906  and name H   ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight  0.10000E+01 volume  0.18350E-01 ppm1      1.311 ppm2      7.649 CV     1
 ASSI {  589}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1906  and name HA  ))
      2.400     0.700     0.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.25718E-01 ppm1      1.311 ppm2      4.652 CV     1
 ASSI {  590}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1906  and name HB  ))
      2.200     0.600     0.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.37238E-01 ppm1      1.311 ppm2      4.586 CV     1
 ASSI {  592}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HB3 ))
      3.500     1.500     1.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.88919E-02 ppm1      1.312 ppm2      2.275 CV     1
 OR {  592}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  593}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "A   " and resid 84   and name HE3 ))
      3.000     1.100     1.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10015E-01 ppm1      1.310 ppm2      2.232 CV     1
 OR {  593}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "A   " and resid 84   and name HE2 ))
 OR {  593}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "A   " and resid 84   and name HE1 ))
 ASSI {  594}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HG3 ))
      3.600     1.600     1.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.55275E-02 ppm1      1.312 ppm2      2.645 CV     1
 ASSI {  595}
   (  segid "C   " and resid 1906  and name HG2%)
   (( segid "C   " and resid 1905  and name HG2 ))
      3.400     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.90253E-02 ppm1      1.310 ppm2      2.551 CV     1
 ASSI {  596}
   (  segid "C   " and resid 1906  and name HG2%)
   (  segid "C   " and resid 1909  and name HB% )
      3.100     1.200     1.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.73454E-02 ppm1      1.314 ppm2      1.569 CV     1
 ASSI {  597}
   (( segid "C   " and resid 1905  and name HA  ))
   (( segid "C   " and resid 1905  and name H   ))
      2.800     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.83350E-02 ppm1      4.087 ppm2      7.646 CV     1
 ASSI {  598}
   (( segid "C   " and resid 1905  and name HB3 ))
   (( segid "C   " and resid 1905  and name H   ))
      2.500     0.800     0.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.12546E-01 ppm1      2.276 ppm2      7.642 CV     1
 OR {  598}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name H   ))
 ASSI {  599}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1905  and name H   ))
      3.800     1.800     1.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.86847E-02 ppm1      2.649 ppm2      7.641 CV     1
 ASSI {  600}
   (( segid "C   " and resid 1905  and name HG2 ))
   (( segid "C   " and resid 1905  and name H   ))
      3.900     1.900     1.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.79253E-02 ppm1      2.555 ppm2      7.640 CV     1
 ASSI {  605}
   (( segid "C   " and resid 1905  and name HA  ))
   (( segid "C   " and resid 1905  and name HB2 ))
      2.500     0.800     0.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.13075E-01 ppm1      4.088 ppm2      2.277 CV     1
 OR {  605}
   (( segid "C   " and resid 1905  and name HA  ))
   (( segid "C   " and resid 1905  and name HB3 ))
 ASSI {  606}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name HA  ))
      2.500     0.800     0.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.99872E-02 ppm1      2.280 ppm2      4.087 CV     1
 ASSI {  608}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name HG3 ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.77459E-02 ppm1      2.279 ppm2      2.648 CV     1
 ASSI {  609}
   (( segid "C   " and resid 1905  and name HB2 ))
   (( segid "C   " and resid 1905  and name HG2 ))
      2.900     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.90713E-02 ppm1      2.280 ppm2      2.554 CV     1
 ASSI {  610}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.700     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.15464E-01 ppm1      2.650 ppm2      2.280 CV     1
 OR {  610}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  611}
   (( segid "C   " and resid 1905  and name HG2 ))
   (( segid "C   " and resid 1905  and name HB3 ))
      2.400     0.700     0.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.15823E-01 ppm1      2.556 ppm2      2.278 CV     1
 OR {  611}
   (( segid "C   " and resid 1905  and name HG2 ))
   (( segid "C   " and resid 1905  and name HB2 ))
 ASSI {  612}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1905  and name HG2 ))
      1.600     0.300     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.63605E-01 ppm1      2.651 ppm2      2.554 CV     1
 ASSI {  615}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.000     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.56748E-02 ppm1      2.652 ppm2      4.086 CV     1
 ASSI {  616}
   (( segid "C   " and resid 1905  and name HG2 ))
   (( segid "C   " and resid 1905  and name HA  ))
      3.700     1.700     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.67701E-02 ppm1      2.559 ppm2      4.088 CV     1
 ASSI {  617}
   (( segid "C   " and resid 1905  and name HG3 ))
   (( segid "C   " and resid 1902  and name HA  ))
      4.600     2.600     1.400 peak   617 spectrum    1 weight  0.10000E+01 volume  0.41707E-02 ppm1      2.657 ppm2      4.655 CV     1
 ASSI {  618}
   (( segid "C   " and resid 1905  and name HG2 ))
   (( segid "C   " and resid 1902  and name HA  ))
      3.700     1.700     1.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.45481E-02 ppm1      2.558 ppm2      4.656 CV     1
 ASSI {  620}
   (( segid "C   " and resid 1905  and name HG2 ))
   (  segid "C   " and resid 1906  and name HG2%)
      3.900     1.900     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.38136E-02 ppm1      2.562 ppm2      1.314 CV     1
 ASSI {  622}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 82   and name HD12))
      3.800     1.800     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.25599E-02 ppm1      1.476 ppm2     -0.085 CV     1
 OR {  622}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 82   and name HD13))
 OR {  622}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 82   and name HD11))
 ASSI {  624}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD23))
      3.100     1.200     1.200 peak   624 spectrum    1 weight  0.10000E+01 volume  0.41905E-02 ppm1      1.472 ppm2      0.294 CV     1
 OR {  624}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD21))
 OR {  624}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD22))
 ASSI {  625}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "C   " and resid 1900  and name HD2%)
      4.500     2.500     1.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.31218E-02 ppm1      1.472 ppm2      1.089 CV     1
 ASSI {  626}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD11))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.11764E-01 ppm1      1.471 ppm2      0.912 CV     1
 OR {  626}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD12))
 OR {  626}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HD13))
 ASSI {  627}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD11))
      2.300     0.600     0.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.11842E-01 ppm1      1.470 ppm2      0.824 CV     1
 OR {  627}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD12))
 OR {  627}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD13))
 ASSI {  628}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD21))
      4.400     2.400     1.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.37708E-02 ppm1      1.469 ppm2      0.748 CV     1
 OR {  628}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD22))
 OR {  628}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HD23))
 ASSI {  629}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "C   " and resid 1903  and name HB% )
      2.800     1.000     1.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.90253E-02 ppm1      1.469 ppm2      1.555 CV     1
 ASSI {  630}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1900  and name HB3 ))
      3.300     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.37620E-02 ppm1      1.470 ppm2      2.075 CV     1
 ASSI {  632}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 61   and name HB3 ))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.45808E-02 ppm1      1.473 ppm2      2.902 CV     1
 ASSI {  633}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 81   and name HB3 ))
      3.300     1.300     1.300 peak   633 spectrum    1 weight  0.10000E+01 volume  0.49246E-02 ppm1      1.470 ppm2      2.735 CV     1
 OR {  633}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 85   and name HG2 ))
 ASSI {  634}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 81   and name HB2 ))
      3.400     1.500     1.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.46668E-02 ppm1      1.470 ppm2      3.335 CV     1
 OR {  634}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  635}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1900  and name HA  ))
      3.300     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.25028E-02 ppm1      1.466 ppm2      4.095 CV     1
 ASSI {  637}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.25548E-02 ppm1      1.470 ppm2      3.854 CV     1
 OR {  637}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 78   and name HB2 ))
 ASSI {  638}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 78   and name HB3 ))
      4.300     2.300     1.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.24098E-02 ppm1      1.468 ppm2      3.469 CV     1
 OR {  638}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 82   and name HA  ))
 ASSI {  639}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.57990E-02 ppm1      1.474 ppm2      4.306 CV     1
 OR {  639}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "A   " and resid 85   and name HA  ))
 ASSI {  640}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1904  and name HB  ))
      2.300     0.700     0.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.12597E-01 ppm1      1.470 ppm2      4.691 CV     1
 OR {  640}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1904  and name HA  ))
 ASSI {  641}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "A   " and resid 78   and name HD% )
      2.200     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.11400E-01 ppm1      1.472 ppm2      7.114 CV     1
 ASSI {  642}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "A   " and resid 78   and name HE% )
      3.000     1.200     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.69819E-02 ppm1      1.471 ppm2      7.023 CV     1
 ASSI {  643}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1905  and name H   ))
      4.000     2.000     2.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.35006E-02 ppm1      1.474 ppm2      7.648 CV     1
 ASSI {  644}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1904  and name H   ))
      2.600     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.61626E-02 ppm1      1.469 ppm2      7.461 CV     1
 ASSI {  645}
   (  segid "C   " and resid 1904  and name HG2%)
   (( segid "C   " and resid 1903  and name H   ))
      4.300     2.400     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.33786E-02 ppm1      1.464 ppm2      8.245 CV     1
 ASSI {  646}
   (  segid "C   " and resid 1904  and name HG2%)
   (  segid "C   " and resid 1900  and name HD1%)
      2.900     1.100     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.36667E-02 ppm1      1.472 ppm2      0.975 CV     1
 ASSI {  647}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1904  and name H   ))
      2.500     0.800     0.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.63513E-02 ppm1      1.563 ppm2      7.453 CV     1
 ASSI {  648}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1905  and name H   ))
      4.000     2.000     2.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.38145E-02 ppm1      1.557 ppm2      7.642 CV     1
 OR {  648}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1906  and name H   ))
 ASSI {  649}
   (( segid "C   " and resid 1903  and name HA  ))
   (( segid "C   " and resid 1903  and name H   ))
      3.200     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.34730E-02 ppm1      4.335 ppm2      8.251 CV     1
 ASSI {  650}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1903  and name H   ))
      2.000     0.500     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.21171E-01 ppm1      1.562 ppm2      8.254 CV     1
 ASSI {  651}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1900  and name HA  ))
      1.900     0.500     0.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.10001E-01 ppm1      1.561 ppm2      4.103 CV     1
 ASSI {  652}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1903  and name HA  ))
      2.000     0.500     0.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.28544E-01 ppm1      1.562 ppm2      4.334 CV     1
 ASSI {  653}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1906  and name HB  ))
      4.100     2.100     1.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.24476E-02 ppm1      1.560 ppm2      4.582 CV     1
 ASSI {  654}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1902  and name HA  ))
      4.500     2.500     1.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.27881E-02 ppm1      1.566 ppm2      4.669 CV     1
 ASSI {  655}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 82   and name HA  ))
      3.800     1.800     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.32346E-02 ppm1      1.566 ppm2      3.482 CV     1
 ASSI {  656}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 81   and name HB2 ))
      4.400     2.400     1.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.28949E-02 ppm1      1.565 ppm2      3.327 CV     1
 OR {  656}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 79   and name HA  ))
 ASSI {  657}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1898  and name HD3 ))
      4.500     1.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.46300E-02 ppm1      1.562 ppm2      3.253 CV     1
 OR {  657}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 89   and name HB2 ))
 ASSI {  658}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1899  and name HG3 ))
      2.900     1.100     1.100 peak   658 spectrum    1 weight  0.10000E+01 volume  0.63697E-02 ppm1      1.562 ppm2      2.556 CV     1
 ASSI {  659}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1902  and name HB3 ))
      3.500     1.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.44257E-02 ppm1      1.563 ppm2      2.854 CV     1
 ASSI {  660}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 85   and name HG2 ))
      3.000     1.100     1.100 peak   660 spectrum    1 weight  0.10000E+01 volume  0.68576E-02 ppm1      1.563 ppm2      2.727 CV     1
 ASSI {  661}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 85   and name HB3 ))
      2.400     0.700     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.63237E-02 ppm1      1.562 ppm2      2.294 CV     1
 ASSI {  662}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 85   and name HE2 ))
      2.300     0.700     0.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.10595E-01 ppm1      1.562 ppm2      2.220 CV     1
 OR {  662}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  662}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 85   and name HE1 ))
 ASSI {  663}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1900  and name HB3 ))
      4.100     2.100     1.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.27591E-02 ppm1      1.564 ppm2      2.082 CV     1
 ASSI {  664}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1899  and name HB2 ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.31646E-02 ppm1      1.564 ppm2      2.020 CV     1
 ASSI {  666}
   (  segid "C   " and resid 1903  and name HB% )
   (  segid "C   " and resid 1900  and name HD2%)
      4.100     2.100     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.39889E-02 ppm1      1.563 ppm2      1.090 CV     1
 ASSI {  667}
   (  segid "C   " and resid 1903  and name HB% )
   (  segid "C   " and resid 1900  and name HD1%)
      3.200     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.61488E-02 ppm1      1.563 ppm2      0.977 CV     1
 ASSI {  668}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "B   " and resid 9    and name HD13))
      5.600     3.900     0.400 peak   668 spectrum    1 weight  0.10000E+01 volume  0.19510E-02 ppm1      1.565 ppm2      0.836 CV     1
 OR {  668}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "B   " and resid 9    and name HD12))
 OR {  668}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "B   " and resid 9    and name HD11))
 ASSI {  669}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 82   and name HD12))
      4.800     2.900     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.21861E-02 ppm1      1.560 ppm2     -0.086 CV     1
 OR {  669}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 82   and name HD11))
 OR {  669}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "A   " and resid 82   and name HD13))
 ASSI {  670}
   (  segid "C   " and resid 1903  and name HB% )
   (( segid "C   " and resid 1902  and name H   ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.43617E-02 ppm1      1.560 ppm2      7.410 CV     1
 ASSI {  671}
   (( segid "C   " and resid 1902  and name HB2 ))
   (( segid "C   " and resid 1902  and name H   ))
      3.300     1.300     1.300 peak   671 spectrum    1 weight  0.10000E+01 volume  0.38499E-02 ppm1      2.858 ppm2      7.411 CV     1
 OR {  671}
   (( segid "C   " and resid 1902  and name HB3 ))
   (( segid "C   " and resid 1902  and name H   ))
 ASSI {  672}
   (( segid "C   " and resid 1902  and name HB2 ))
   (( segid "C   " and resid 1903  and name H   ))
      3.600     1.600     1.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.37832E-02 ppm1      2.854 ppm2      8.252 CV     1
 OR {  672}
   (( segid "C   " and resid 1902  and name HB3 ))
   (( segid "C   " and resid 1903  and name H   ))
 ASSI {  673}
   (( segid "C   " and resid 1902  and name HB2 ))
   (( segid "C   " and resid 1902  and name HA  ))
      3.300     1.400     1.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.42020E-02 ppm1      2.857 ppm2      4.654 CV     1
 OR {  673}
   (( segid "C   " and resid 1902  and name HB3 ))
   (( segid "C   " and resid 1902  and name HA  ))
 ASSI {  674}
   (( segid "C   " and resid 1902  and name HB3 ))
   (  segid "C   " and resid 1903  and name HB% )
      4.600     2.700     1.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.21645E-02 ppm1      2.855 ppm2      1.560 CV     1
 OR {  674}
   (( segid "C   " and resid 1902  and name HB2 ))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI {  675}
   (( segid "C   " and resid 1902  and name HB2 ))
   (( segid "C   " and resid 1901  and name HB3 ))
      4.600     2.600     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.22340E-02 ppm1      2.858 ppm2      2.017 CV     1
 OR {  675}
   (( segid "C   " and resid 1902  and name HB3 ))
   (( segid "C   " and resid 1901  and name HB3 ))
 ASSI {  676}
   (( segid "C   " and resid 1901  and name HB3 ))
   (( segid "C   " and resid 1905  and name HB2 ))
      3.900     1.900     1.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.41693E-02 ppm1      2.025 ppm2      2.266 CV     1
 OR {  676}
   (( segid "C   " and resid 1901  and name HB3 ))
   (( segid "C   " and resid 1905  and name HB3 ))
 ASSI {  677}
   (( segid "C   " and resid 1901  and name HB2 ))
   (( segid "C   " and resid 1905  and name HB2 ))
      3.800     1.800     1.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.48601E-02 ppm1      2.090 ppm2      2.274 CV     1
 OR {  677}
   (( segid "C   " and resid 1901  and name HB2 ))
   (( segid "C   " and resid 1905  and name HB3 ))
 ASSI {  678}
   (( segid "C   " and resid 1901  and name HB2 ))
   (( segid "C   " and resid 1901  and name HA  ))
      3.400     1.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.22308E-02 ppm1      2.081 ppm2      3.724 CV     1
 ASSI {  679}
   (( segid "C   " and resid 1901  and name HB3 ))
   (( segid "C   " and resid 1901  and name HA  ))
      3.700     1.700     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.16638E-02 ppm1      2.026 ppm2      3.723 CV     1
 ASSI {  680}
   (( segid "C   " and resid 1900  and name HB3 ))
   (( segid "C   " and resid 1900  and name H   ))
      4.000     2.000     2.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.15703E-02 ppm1      2.086 ppm2      9.093 CV     1
 ASSI {  681}
   (( segid "C   " and resid 1900  and name HG  ))
   (( segid "C   " and resid 1900  and name H   ))
      3.900     1.900     1.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.23790E-02 ppm1      2.111 ppm2      9.117 CV     1
 ASSI {  682}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name H   ))
      3.300     1.400     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      0.980 ppm2      9.101 CV     1
 ASSI {  683}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name H   ))
      3.000     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.30265E-02 ppm1      1.091 ppm2      9.111 CV     1
 ASSI {  684}
   (  segid "C   " and resid 1900  and name HD1%)
   (  segid "A   " and resid 78   and name HE% )
      2.100     0.600     0.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.16845E-01 ppm1      0.978 ppm2      7.036 CV     1
 ASSI {  685}
   (  segid "C   " and resid 1900  and name HD1%)
   (  segid "A   " and resid 78   and name HD% )
      3.200     1.300     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.48786E-02 ppm1      0.981 ppm2      7.111 CV     1
 ASSI {  686}
   (  segid "C   " and resid 1900  and name HD1%)
   (  segid "A   " and resid 45   and name HD% )
      3.500     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.67103E-02 ppm1      0.979 ppm2      7.217 CV     1
 ASSI {  687}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1903  and name H   ))
      4.700     2.700     1.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.34849E-02 ppm1      0.973 ppm2      8.246 CV     1
 ASSI {  688}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 59   and name H   ))
      5.300     3.500     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.24807E-02 ppm1      0.980 ppm2      8.014 CV     1
 ASSI {  689}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1903  and name H   ))
      5.000     3.200     1.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.20748E-02 ppm1      1.083 ppm2      8.249 CV     1
 ASSI {  690}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 59   and name H   ))
      5.700     4.000     0.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.21539E-02 ppm1      1.090 ppm2      8.005 CV     1
 ASSI {  691}
   (  segid "C   " and resid 1900  and name HD2%)
   (  segid "A   " and resid 45   and name HD% )
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.40101E-02 ppm1      1.086 ppm2      7.222 CV     1
 ASSI {  692}
   (  segid "C   " and resid 1900  and name HD2%)
   (  segid "A   " and resid 78   and name HE% )
      2.800     1.000     1.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.14037E-01 ppm1      1.088 ppm2      7.040 CV     1
 ASSI {  693}
   (  segid "C   " and resid 1900  and name HD2%)
   (  segid "A   " and resid 78   and name HD% )
      4.200     2.200     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.37680E-02 ppm1      1.086 ppm2      7.100 CV     1
 ASSI {  694}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HA  ))
      1.900     0.500     0.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.18543E-01 ppm1      0.978 ppm2      4.103 CV     1
 ASSI {  695}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.41997E-02 ppm1      0.974 ppm2      4.364 CV     1
 OR {  695}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 43   and name HA  ))
 ASSI {  696}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HA  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.66275E-02 ppm1      1.088 ppm2      4.110 CV     1
 ASSI {  697}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 45   and name HA  ))
      4.600     2.600     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.20071E-02 ppm1      1.090 ppm2      4.492 CV     1
 ASSI {  698}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 50   and name HB  ))
      3.900     1.900     1.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.68898E-02 ppm1      1.087 ppm2      4.381 CV     1
 ASSI {  699}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 45   and name HA  ))
      4.300     2.300     1.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.37758E-02 ppm1      0.976 ppm2      4.485 CV     1
 OR {  699}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 61   and name HA  ))
 ASSI {  700}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 45   and name HB3 ))
      2.900     1.100     1.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.61672E-02 ppm1      0.976 ppm2      2.876 CV     1
 ASSI {  701}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 45   and name HB2 ))
      3.300     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.71844E-02 ppm1      0.980 ppm2      3.367 CV     1
 ASSI {  702}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.39415E-02 ppm1      0.976 ppm2      3.486 CV     1
 ASSI {  703}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 45   and name HB3 ))
      2.900     1.100     1.100 peak   703 spectrum    1 weight  0.10000E+01 volume  0.36861E-02 ppm1      1.087 ppm2      2.876 CV     1
 ASSI {  704}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak   704 spectrum    1 weight  0.10000E+01 volume  0.43396E-02 ppm1      1.086 ppm2      3.372 CV     1
 ASSI {  705}
   (( segid "C   " and resid 1900  and name HB2 ))
   (( segid "C   " and resid 1900  and name HB3 ))
      1.800     0.400     0.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.62409E-02 ppm1      1.615 ppm2      2.076 CV     1
 ASSI {  716}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 85   and name HE3 ))
      2.400     0.700     0.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.15501E-01 ppm1      0.979 ppm2      2.219 CV     1
 OR {  716}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 85   and name HE2 ))
 OR {  716}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 85   and name HE1 ))
 ASSI {  717}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 85   and name HE3 ))
      3.300     1.300     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.51501E-02 ppm1      1.087 ppm2      2.221 CV     1
 OR {  717}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 85   and name HE2 ))
 OR {  717}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 85   and name HE1 ))
 ASSI {  719}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HG  ))
      2.000     0.500     0.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.22810E-01 ppm1      1.087 ppm2      2.111 CV     1
 ASSI {  720}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HB3 ))
      2.600     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.22883E-01 ppm1      1.085 ppm2      2.069 CV     1
 ASSI {  721}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HG  ))
      1.900     0.400     0.400 peak   721 spectrum    1 weight  0.10000E+01 volume  0.26004E-01 ppm1      0.975 ppm2      2.103 CV     1
 ASSI {  722}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HB3 ))
      2.600     0.800     0.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12454E-01 ppm1      0.975 ppm2      2.061 CV     1
 ASSI {  723}
   (  segid "C   " and resid 1900  and name HD1%)
   (  segid "C   " and resid 1903  and name HB% )
      2.500     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.20633E-01 ppm1      0.977 ppm2      1.584 CV     1
 OR {  723}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HB3 ))
 OR {  723}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "C   " and resid 1900  and name HB2 ))
 ASSI {  724}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "C   " and resid 1900  and name HB2 ))
      2.300     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.11943E-01 ppm1      1.087 ppm2      1.600 CV     1
 ASSI {  725}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD12))
      3.700     1.700     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.61948E-02 ppm1      1.089 ppm2      0.823 CV     1
 OR {  725}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD13))
 OR {  725}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD11))
 ASSI {  726}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD22))
      2.900     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.11534E-01 ppm1      1.087 ppm2      0.745 CV     1
 OR {  726}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD21))
 OR {  726}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 58   and name HD23))
 ASSI {  727}
   (  segid "C   " and resid 1900  and name HD2%)
   (  segid "C   " and resid 1900  and name HD1%)
      2.000     0.500     0.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.54815E-01 ppm1      1.088 ppm2      0.991 CV     1
 OR {  727}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 46   and name HD23))
 OR {  727}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 46   and name HD21))
 OR {  727}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 46   and name HD22))
 OR {  727}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 38   and name HD22))
 ASSI {  728}
   (  segid "C   " and resid 1900  and name HD1%)
   (  segid "C   " and resid 1900  and name HD2%)
      2.000     0.500     0.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.48325E-01 ppm1      0.978 ppm2      1.084 CV     1
 ASSI {  729}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HG13))
      3.600     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.73777E-02 ppm1      0.975 ppm2      1.152 CV     1
 OR {  729}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 37   and name HB3 ))
 OR {  729}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 77   and name HG21))
 OR {  729}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 50   and name HG23))
 ASSI {  730}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HD12))
      2.400     0.700     0.700 peak   730 spectrum    1 weight  0.10000E+01 volume  0.16274E-01 ppm1      0.978 ppm2     -0.085 CV     1
 OR {  730}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HD13))
 OR {  730}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HD11))
 ASSI {  731}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HG21))
      3.400     1.400     1.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.60384E-02 ppm1      0.978 ppm2      0.040 CV     1
 OR {  731}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HG22))
 OR {  731}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HG23))
 ASSI {  732}
   (  segid "C   " and resid 1900  and name HD1%)
   (( segid "A   " and resid 82   and name HG12))
      2.600     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.89931E-02 ppm1      0.978 ppm2      0.326 CV     1
 ASSI {  733}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 82   and name HD12))
      3.100     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.70003E-02 ppm1      1.086 ppm2     -0.084 CV     1
 OR {  733}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 82   and name HD13))
 OR {  733}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 82   and name HD11))
 ASSI {  735}
   (  segid "C   " and resid 1900  and name HD2%)
   (( segid "A   " and resid 82   and name HG12))
      4.000     2.000     2.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      1.083 ppm2      0.323 CV     1
 ASSI {  736}
   (( segid "C   " and resid 1900  and name HA  ))
   (( segid "C   " and resid 1900  and name HB3 ))
      2.400     0.700     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.44340E-02 ppm1      4.102 ppm2      2.080 CV     1
 ASSI {  737}
   (( segid "C   " and resid 1899  and name HA  ))
   (( segid "C   " and resid 1900  and name H   ))
      3.600     1.600     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.28503E-02 ppm1      4.575 ppm2      9.106 CV     1
 ASSI {  739}
   (( segid "C   " and resid 1899  and name HB2 ))
   (( segid "C   " and resid 1899  and name HG2 ))
      3.400     1.400     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.54308E-02 ppm1      2.014 ppm2      2.458 CV     1
 ASSI {  740}
   (( segid "C   " and resid 1899  and name HB2 ))
   (( segid "C   " and resid 1899  and name H   ))
      4.200     2.200     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.23067E-02 ppm1      2.012 ppm2      8.743 CV     1
 ASSI {  741}
   (( segid "C   " and resid 1899  and name HG3 ))
   (( segid "C   " and resid 1899  and name HB2 ))
      2.700     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.54216E-02 ppm1      2.543 ppm2      2.016 CV     1
 ASSI {  743}
   (( segid "C   " and resid 1899  and name HG3 ))
   (( segid "C   " and resid 1899  and name HA  ))
      4.000     2.000     2.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.43318E-02 ppm1      2.545 ppm2      4.584 CV     1
 ASSI {  744}
   (( segid "C   " and resid 1899  and name HG2 ))
   (( segid "C   " and resid 1899  and name HA  ))
      4.000     2.000     2.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.33657E-02 ppm1      2.465 ppm2      4.574 CV     1
 ASSI {  745}
   (( segid "C   " and resid 1899  and name HG3 ))
   (( segid "C   " and resid 1899  and name H   ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.41541E-02 ppm1      2.546 ppm2      8.741 CV     1
 ASSI {  746}
   (( segid "C   " and resid 1899  and name HG2 ))
   (( segid "C   " and resid 1899  and name H   ))
      2.300     0.700     0.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.41541E-02 ppm1      2.467 ppm2      8.741 CV     1
 ASSI {  747}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HB2 ))
      2.600     0.800     0.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.69588E-02 ppm1      4.561 ppm2      2.031 CV     1
 ASSI {  748}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HG2 ))
      3.100     1.200     1.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.45932E-02 ppm1      4.561 ppm2      1.777 CV     1
 OR {  748}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HG3 ))
 ASSI {  749}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HB3 ))
      3.500     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.31932E-02 ppm1      4.558 ppm2      1.861 CV     1
 ASSI {  750}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HD3 ))
      4.100     2.100     1.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.31135E-02 ppm1      4.561 ppm2      3.252 CV     1
 OR {  750}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name HD2 ))
 ASSI {  751}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1899  and name H   ))
      2.200     0.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.93981E-02 ppm1      4.558 ppm2      8.740 CV     1
 ASSI {  752}
   (( segid "C   " and resid 1898  and name HA  ))
   (( segid "C   " and resid 1898  and name H   ))
      3.100     1.200     1.200 peak   752 spectrum    1 weight  0.10000E+01 volume  0.39001E-02 ppm1      4.561 ppm2      8.027 CV     1
 ASSI {  755}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name HD2 ))
      3.800     1.800     1.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.40018E-02 ppm1      2.029 ppm2      3.254 CV     1
 OR {  755}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name HD3 ))
 ASSI {  756}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name HD2 ))
      3.400     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.32663E-02 ppm1      1.870 ppm2      3.253 CV     1
 OR {  756}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name HD3 ))
 ASSI {  757}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name HB2 ))
      2.000     0.500     0.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.11211E-01 ppm1      1.876 ppm2      2.030 CV     1
 ASSI {  759}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name HG3 ))
      2.700     0.900     0.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.75157E-02 ppm1      2.036 ppm2      1.790 CV     1
 OR {  759}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 ASSI {  760}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name HG3 ))
      3.100     1.200     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.44335E-02 ppm1      1.876 ppm2      1.773 CV     1
 OR {  760}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 ASSI {  761}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1898  and name H   ))
      3.400     1.500     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.26220E-02 ppm1      2.045 ppm2      8.028 CV     1
 ASSI {  762}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1898  and name H   ))
      3.100     1.200     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.33749E-02 ppm1      1.872 ppm2      8.029 CV     1
 ASSI {  764}
   (( segid "C   " and resid 1898  and name HB2 ))
   (( segid "C   " and resid 1899  and name H   ))
      4.300     2.300     1.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.25019E-02 ppm1      2.023 ppm2      8.740 CV     1
 ASSI {  766}
   (( segid "C   " and resid 1898  and name HB3 ))
   (( segid "C   " and resid 1899  and name H   ))
      4.300     2.400     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      1.862 ppm2      8.746 CV     1
 ASSI {  767}
   (( segid "C   " and resid 1897  and name HA  ))
   (( segid "C   " and resid 1898  and name H   ))
      2.500     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.13683E-01 ppm1      4.357 ppm2      8.030 CV     1
 ASSI {  769}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1897  and name HE22))
      3.700     1.700     1.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.79990E-02 ppm1      2.376 ppm2      6.723 CV     1
 ASSI {  771}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1898  and name H   ))
      3.400     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.70233E-02 ppm1      2.376 ppm2      8.031 CV     1
 ASSI {  772}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1897  and name HE21))
      2.700     0.900     0.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11874E-01 ppm1      2.376 ppm2      7.585 CV     1
 ASSI {  775}
   (( segid "C   " and resid 1897  and name HB3 ))
   (( segid "C   " and resid 1898  and name H   ))
      4.600     2.600     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.31513E-02 ppm1      2.076 ppm2      8.033 CV     1
 ASSI {  776}
   (( segid "C   " and resid 1897  and name HB2 ))
   (( segid "C   " and resid 1898  and name H   ))
      4.300     2.400     1.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.31513E-02 ppm1      2.146 ppm2      8.033 CV     1
 ASSI {  778}
   (( segid "C   " and resid 1897  and name HG3 ))
   (( segid "C   " and resid 1897  and name HA  ))
      3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.15920E-01 ppm1      2.376 ppm2      4.358 CV     1
 OR {  778}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1897  and name HA  ))
 ASSI {  779}
   (( segid "C   " and resid 1897  and name HB3 ))
   (( segid "C   " and resid 1897  and name HA  ))
      2.900     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.95362E-02 ppm1      2.076 ppm2      4.358 CV     1
 ASSI {  780}
   (( segid "C   " and resid 1897  and name HB2 ))
   (( segid "C   " and resid 1897  and name HA  ))
      2.400     0.700     0.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.14447E-01 ppm1      2.137 ppm2      4.350 CV     1
 ASSI {  781}
   (( segid "C   " and resid 1897  and name HG3 ))
   (( segid "C   " and resid 1897  and name HB2 ))
      2.300     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.28687E-01 ppm1      2.376 ppm2      2.147 CV     1
 OR {  781}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1897  and name HB2 ))
 ASSI {  782}
   (( segid "C   " and resid 1897  and name HG3 ))
   (( segid "C   " and resid 1897  and name HB3 ))
      2.400     0.700     0.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.24397E-01 ppm1      2.375 ppm2      2.076 CV     1
 OR {  782}
   (( segid "C   " and resid 1897  and name HG2 ))
   (( segid "C   " and resid 1897  and name HB3 ))
 ASSI {  903}
   (( segid "C   " and resid 1912  and name HB2 ))
   (( segid "C   " and resid 1912  and name HA  ))
      2.500     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.31278E-01 ppm1      2.134 ppm2      4.172 CV     1
 ASSI {    4}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.13021E-01 ppm1      4.789 ppm2      3.715 CV     1
 OR {    4}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 94   and name HD2 ))
 ASSI {    5}
   (( segid "B   " and resid 93   and name HA  ))
   (( segid "B   " and resid 94   and name HD3 ))
      2.000     0.500     0.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.14629E-01 ppm1      4.795 ppm2      3.567 CV     1
 OR {    5}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 94   and name HD3 ))
 ASSI {    6}
   (( segid "A   " and resid 93   and name HB2 ))
   (( segid "A   " and resid 94   and name HD3 ))
      3.600     1.600     1.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.44697E-02 ppm1      3.161 ppm2      3.567 CV     1
 OR {    6}
   (( segid "B   " and resid 93   and name HB2 ))
   (( segid "B   " and resid 94   and name HD3 ))
 ASSI {    7}
   (( segid "A   " and resid 93   and name HB3 ))
   (( segid "A   " and resid 94   and name HD3 ))
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      2.942 ppm2      3.567 CV     1
 OR {    7}
   (( segid "B   " and resid 93   and name HB3 ))
   (( segid "B   " and resid 94   and name HD3 ))
 ASSI {    8}
   (( segid "A   " and resid 93   and name HB3 ))
   (( segid "A   " and resid 94   and name HD2 ))
      3.700     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17022E-02 ppm1      2.942 ppm2      3.718 CV     1
 OR {    8}
   (( segid "B   " and resid 93   and name HB3 ))
   (( segid "B   " and resid 94   and name HD2 ))
 ASSI {    9}
   (( segid "A   " and resid 93   and name HB3 ))
   (( segid "A   " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.45649E-02 ppm1      2.942 ppm2      4.799 CV     1
 OR {    9}
   (( segid "B   " and resid 93   and name HB3 ))
   (( segid "B   " and resid 93   and name HA  ))
 ASSI {   10}
   (( segid "A   " and resid 93   and name HB2 ))
   (( segid "A   " and resid 94   and name HD2 ))
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.35547E-02 ppm1      3.160 ppm2      3.722 CV     1
 OR {   10}
   (( segid "B   " and resid 93   and name HB2 ))
   (( segid "B   " and resid 94   and name HD2 ))
 ASSI {   11}
   (( segid "A   " and resid 93   and name HB2 ))
   (( segid "A   " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.75889E-02 ppm1      3.161 ppm2      4.800 CV     1
 OR {   11}
   (( segid "B   " and resid 93   and name HB2 ))
   (( segid "B   " and resid 93   and name HA  ))
 ASSI {   15}
   (( segid "B   " and resid 93   and name HB3 ))
   (  segid "B   " and resid 93   and name HD% )
      2.400     0.700     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.72050E-02 ppm1      2.943 ppm2      7.291 CV     1
 OR {   15}
   (( segid "A   " and resid 93   and name HB3 ))
   (  segid "A   " and resid 93   and name HD% )
 ASSI {   18}
   (( segid "B   " and resid 93   and name HA  ))
   (  segid "B   " and resid 93   and name HD% )
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.61105E-02 ppm1      4.800 ppm2      7.291 CV     1
 OR {   18}
   (( segid "A   " and resid 93   and name HA  ))
   (  segid "A   " and resid 93   and name HD% )
 ASSI {  122}
   (( segid "B   " and resid 88   and name HA  ))
   (( segid "B   " and resid 89   and name H   ))
      3.100     1.200     1.200 peak   122 spectrum    1 weight  0.10000E+01 volume  0.23367E-02 ppm1      3.941 ppm2      7.377 CV     1
 OR {  122}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 89   and name H   ))
 ASSI {  133}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 87   and name HB3 ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.14792E-02 ppm1      3.936 ppm2      1.776 CV     1
 OR {  133}
   (( segid "B   " and resid 88   and name HA  ))
   (( segid "B   " and resid 101  and name HB3 ))
 ASSI {  136}
   (( segid "A   " and resid 88   and name HB2 ))
   (( segid "A   " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.38627E-02 ppm1      2.046 ppm2      3.944 CV     1
 OR {  136}
   (( segid "B   " and resid 88   and name HB2 ))
   (( segid "B   " and resid 88   and name HA  ))
 ASSI {  138}
   (( segid "B   " and resid 88   and name HB3 ))
   (( segid "B   " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.52304E-02 ppm1      1.900 ppm2      3.945 CV     1
 OR {  138}
   (( segid "A   " and resid 88   and name HB3 ))
   (( segid "A   " and resid 88   and name HA  ))
 ASSI {  154}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 90   and name HD% )
      3.600     1.700     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      4.246 ppm2      6.913 CV     1
 OR {  154}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "B   " and resid 72   and name HZ  ))
 ASSI {  170}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1917  and name HD1%)
      4.100     2.100     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.10667E-02 ppm1      4.269 ppm2      1.187 CV     1
 OR {  170}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 70   and name HG12))
 OR {  170}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 70   and name HG13))
 ASSI {  176}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "C   " and resid 1921  and name HD2%)
      4.400     2.400     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.96762E-03 ppm1      4.266 ppm2      0.905 CV     1
 OR {  176}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 70   and name HG21))
 OR {  176}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 70   and name HG22))
 OR {  176}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 70   and name HG23))
 ASSI {  192}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG12))
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.23280E-02 ppm1      3.083 ppm2      1.276 CV     1
 OR {  192}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG11))
 OR {  192}
   (( segid "A   " and resid 86   and name HB3 ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  192}
   (( segid "B   " and resid 86   and name HB3 ))
   (( segid "A   " and resid 13   and name HG12))
 ASSI {  223}
   (( segid "A   " and resid 85   and name HA  ))
   (( segid "A   " and resid 88   and name HG2 ))
      4.200     2.200     1.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.93249E-03 ppm1      4.291 ppm2      2.412 CV     1
 OR {  223}
   (( segid "A   " and resid 85   and name HA  ))
   (( segid "A   " and resid 87   and name HB2 ))
 ASSI {  268}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 58   and name HD22))
      2.700     2.700     3.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.84535E-03 ppm1      2.187 ppm2      0.820 CV     1
 OR {  268}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD22))
 OR {  268}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 58   and name HD23))
 OR {  268}
   (( segid "A   " and resid 85   and name HE1 ))
   (( segid "A   " and resid 58   and name HD21))
 OR {  268}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD23))
 OR {  268}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "A   " and resid 58   and name HD21))
 OR {  268}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD22))
 OR {  268}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD23))
 OR {  268}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 9    and name HD11))
 OR {  268}
   (( segid "A   " and resid 85   and name HE2 ))
   (( segid "A   " and resid 58   and name HD21))
 OR {  268}
   (( segid "A   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 9    and name HD12))
 ASSI {  311}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "C   " and resid 1921  and name HD1%)
      2.100     0.600     0.600 peak   311 spectrum    1 weight  0.10000E+01 volume  0.19337E-01 ppm1      2.098 ppm2      0.933 CV     1
 OR {  311}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  311}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "C   " and resid 1926  and name HD1%)
 OR {  311}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  317}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1918  and name HE3 ))
      2.100     2.100     3.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.33229E-02 ppm1      2.098 ppm2      3.037 CV     1
 OR {  317}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HB3 ))
 OR {  317}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HB3 ))
 OR {  317}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 OR {  317}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1918  and name HE2 ))
 OR {  317}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1928  and name HB3 ))
 OR {  317}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1918  and name HE3 ))
 ASSI {  318}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "C   " and resid 1928  and name HB2 ))
      2.100     2.100     3.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.32925E-02 ppm1      2.099 ppm2      3.071 CV     1
 OR {  318}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR {  318}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 86   and name HB3 ))
 OR {  318}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 86   and name HB3 ))
 ASSI {  320}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 45   and name HB2 ))
      2.300     2.300     3.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.23757E-02 ppm1      2.097 ppm2      3.410 CV     1
 OR {  320}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 86   and name HB2 ))
 OR {  320}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 86   and name HB2 ))
 OR {  320}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 45   and name HB2 ))
 OR {  320}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 86   and name HB2 ))
 ASSI {  328}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "B   " and resid 78   and name HE% )
      2.600     2.600     3.400 peak   328 spectrum    1 weight  0.10000E+01 volume  0.99990E-03 ppm1      2.097 ppm2      6.894 CV     1
 OR {  328}
   (( segid "B   " and resid 85   and name HE1 ))
   (  segid "B   " and resid 78   and name HE% )
 OR {  328}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 61   and name HD22))
 OR {  328}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "B   " and resid 78   and name HE% )
 ASSI {  333}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "B   " and resid 61   and name HD21))
      2.400     2.400     3.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.17614E-02 ppm1      2.098 ppm2      7.139 CV     1
 OR {  333}
   (( segid "B   " and resid 85   and name HE3 ))
   (  segid "B   " and resid 45   and name HE% )
 OR {  333}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 61   and name HD21))
 OR {  333}
   (( segid "B   " and resid 85   and name HE2 ))
   (  segid "B   " and resid 45   and name HE% )
 ASSI {  335}
   (( segid "B   " and resid 85   and name HE1 ))
   (( segid "C   " and resid 1923  and name H   ))
      2.600     2.600     3.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.97889E-03 ppm1      2.098 ppm2      7.628 CV     1
 OR {  335}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "B   " and resid 81   and name H   ))
 OR {  335}
   (( segid "B   " and resid 85   and name HE2 ))
   (( segid "C   " and resid 1923  and name H   ))
 OR {  335}
   (( segid "B   " and resid 85   and name HE3 ))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  375}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.500     1.500     1.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.33100E-02 ppm1      2.223 ppm2      3.426 CV     1
 OR {  375}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR {  375}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR {  375}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 77   and name HA  ))
 OR {  375}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 77   and name HA  ))
 OR {  375}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 77   and name HA  ))
 ASSI {  382}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1903  and name HA  ))
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      2.224 ppm2      4.324 CV     1
 OR {  382}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 75   and name HA  ))
 OR {  382}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 80   and name HB2 ))
 OR {  382}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 80   and name HB2 ))
 OR {  382}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 75   and name HA  ))
 OR {  382}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 80   and name HB2 ))
 OR {  382}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI {  389}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 82   and name H   ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.10361E-02 ppm1      2.223 ppm2      7.807 CV     1
 OR {  389}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1913  and name H   ))
 OR {  389}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1913  and name H   ))
 ASSI {  390}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 86   and name H   ))
      4.700     2.700     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.53886E-03 ppm1      2.221 ppm2      8.443 CV     1
 OR {  390}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 86   and name H   ))
 OR {  390}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 77   and name H   ))
 OR {  390}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 77   and name H   ))
 ASSI {  392}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 73   and name H   ))
      3.400     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.47167E-02 ppm1      2.223 ppm2      8.274 CV     1
 OR {  392}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 73   and name H   ))
 OR {  392}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 73   and name H   ))
 OR {  392}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 80   and name H   ))
 OR {  392}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 80   and name H   ))
 ASSI {  396}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 83   and name H   ))
      3.700     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.17460E-02 ppm1      2.223 ppm2      8.959 CV     1
 OR {  396}
   (( segid "A   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 83   and name H   ))
 OR {  396}
   (( segid "A   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 83   and name H   ))
 OR {  396}
   (( segid "A   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 72   and name H   ))
 ASSI {  430}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 76   and name HB3 ))
      2.900     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.53366E-02 ppm1      2.143 ppm2      2.559 CV     1
 OR {  430}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "B   " and resid 81   and name HB3 ))
 OR {  430}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 81   and name HB3 ))
 OR {  430}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "B   " and resid 81   and name HB3 ))
 OR {  430}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 81   and name HG  ))
 OR {  430}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI {  437}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1918  and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.64637E-02 ppm1      2.144 ppm2      3.931 CV     1
 OR {  437}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 73   and name HA  ))
 OR {  437}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1918  and name HA  ))
 ASSI {  439}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "B   " and resid 85   and name HA  ))
      4.100     2.100     1.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.19129E-02 ppm1      2.143 ppm2      4.259 CV     1
 OR {  439}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  439}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  439}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI {  445}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 73   and name H   ))
      2.100     2.100     3.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.39492E-02 ppm1      2.145 ppm2      8.263 CV     1
 OR {  445}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 73   and name H   ))
 OR {  445}
   (( segid "B   " and resid 84   and name HE2 ))
   (( segid "A   " and resid 73   and name H   ))
 OR {  445}
   (( segid "B   " and resid 84   and name HE1 ))
   (( segid "A   " and resid 80   and name H   ))
 OR {  445}
   (( segid "B   " and resid 84   and name HE3 ))
   (( segid "A   " and resid 80   and name H   ))
 ASSI {  460}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 13   and name H   ))
      3.500     1.500     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      1.745 ppm2      8.446 CV     1
 OR {  460}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 86   and name H   ))
 OR {  460}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 86   and name H   ))
 OR {  460}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 13   and name H   ))
 OR {  460}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 13   and name H   ))
 ASSI {  461}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 81   and name H   ))
      4.000     2.000     2.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.93249E-03 ppm1      1.744 ppm2      8.595 CV     1
 OR {  461}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 87   and name H   ))
 OR {  461}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 81   and name H   ))
 OR {  461}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 81   and name H   ))
 OR {  461}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 87   and name H   ))
 OR {  461}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 87   and name H   ))
 OR {  461}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  463}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 80   and name H   ))
      3.600     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13036E-02 ppm1      1.746 ppm2      8.268 CV     1
 OR {  463}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 80   and name H   ))
 OR {  463}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 80   and name H   ))
 OR {  463}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 73   and name H   ))
 OR {  463}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 73   and name H   ))
 ASSI {  464}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 82   and name H   ))
      3.200     1.300     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.21487E-02 ppm1      1.745 ppm2      7.808 CV     1
 OR {  464}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 82   and name H   ))
 OR {  464}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 82   and name H   ))
 OR {  464}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 10   and name H   ))
 OR {  464}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 10   and name H   ))
 ASSI {  465}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 85   and name H   ))
      3.800     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.12349E-02 ppm1      1.744 ppm2      7.637 CV     1
 OR {  465}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 85   and name H   ))
 OR {  465}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 85   and name H   ))
 OR {  465}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 81   and name H   ))
 OR {  465}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  466}
   (( segid "A   " and resid 83   and name HB1 ))
   (  segid "B   " and resid 72   and name HE% )
      2.300     0.700     0.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.87399E-02 ppm1      1.743 ppm2      7.004 CV     1
 OR {  466}
   (( segid "A   " and resid 83   and name HB2 ))
   (  segid "B   " and resid 72   and name HE% )
 OR {  466}
   (( segid "A   " and resid 83   and name HB3 ))
   (  segid "B   " and resid 72   and name HE% )
 OR {  466}
   (( segid "B   " and resid 83   and name HB2 ))
   (  segid "A   " and resid 72   and name HE% )
 ASSI {  467}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 72   and name HZ  ))
      2.500     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.91147E-02 ppm1      1.744 ppm2      6.921 CV     1
 OR {  467}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 72   and name HZ  ))
 OR {  467}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 72   and name HZ  ))
 OR {  467}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 72   and name HZ  ))
 OR {  467}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 72   and name HZ  ))
 OR {  467}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 72   and name HZ  ))
 ASSI {  469}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.42421E-02 ppm1      1.743 ppm2      4.073 CV     1
 OR {  469}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 84   and name HA  ))
 OR {  469}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 84   and name HA  ))
 OR {  469}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 13   and name HA  ))
 OR {  469}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  474}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.400     1.500     1.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22131E-02 ppm1      1.744 ppm2      3.425 CV     1
 OR {  474}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 86   and name HB2 ))
 OR {  474}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR {  474}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR {  474}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR {  474}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 86   and name HB2 ))
 OR {  474}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 86   and name HB2 ))
 OR {  474}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 80   and name HB3 ))
 ASSI {  475}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      1.744 ppm2      3.293 CV     1
 OR {  475}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 75   and name HB2 ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 75   and name HB2 ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 75   and name HB2 ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  475}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  476}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.500     1.600     1.600 peak   476 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      1.743 ppm2      3.155 CV     1
 OR {  476}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 84   and name HG2 ))
 OR {  476}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 84   and name HG2 ))
 OR {  476}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 76   and name HB2 ))
 OR {  476}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 84   and name HG2 ))
 OR {  476}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 76   and name HB2 ))
 OR {  476}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 84   and name HG2 ))
 ASSI {  477}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 86   and name HB3 ))
      3.800     1.800     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.13790E-02 ppm1      1.743 ppm2      3.087 CV     1
 OR {  477}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 86   and name HB3 ))
 OR {  477}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 86   and name HB3 ))
 OR {  477}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 86   and name HB3 ))
 OR {  477}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 86   and name HB3 ))
 OR {  477}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 86   and name HB3 ))
 ASSI {  478}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HB3 ))
      3.200     1.300     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.20143E-02 ppm1      1.744 ppm2      2.209 CV     1
 OR {  478}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR {  478}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR {  478}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  478}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI {  479}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.59307E-02 ppm1      1.744 ppm2      2.392 CV     1
 OR {  479}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  479}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  479}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 84   and name HB2 ))
 OR {  479}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  479}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  479}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI {  481}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.14963E-02 ppm1      1.744 ppm2      2.822 CV     1
 OR {  481}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR {  481}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR {  481}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 84   and name HG3 ))
 ASSI {  483}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 82   and name HG12))
      3.800     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.76386E-03 ppm1      1.744 ppm2      0.561 CV     1
 OR {  483}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 79   and name HD11))
 OR {  483}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 82   and name HG12))
 OR {  483}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 82   and name HG12))
 OR {  483}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 79   and name HD12))
 OR {  483}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 79   and name HD12))
 OR {  483}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 79   and name HD11))
 OR {  483}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 79   and name HD12))
 OR {  483}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 79   and name HD13))
 ASSI {  487}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD21))
      2.900     2.900     3.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.25664E-02 ppm1      1.743 ppm2      0.674 CV     1
 OR {  487}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD22))
 OR {  487}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD23))
 OR {  487}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HD22))
 OR {  487}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 9    and name HD22))
 OR {  487}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 9    and name HD22))
 OR {  487}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  487}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  487}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  487}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 9    and name HD22))
 OR {  487}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  487}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 9    and name HD21))
 OR {  487}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 9    and name HD23))
 OR {  487}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 9    and name HD21))
 OR {  487}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 9    and name HD21))
 OR {  487}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 9    and name HD21))
 ASSI {  489}
   (( segid "B   " and resid 83   and name HB3 ))
   (  segid "C   " and resid 1930  and name HG2%)
      4.300     2.300     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.76667E-03 ppm1      1.744 ppm2      1.041 CV     1
 OR {  489}
   (( segid "B   " and resid 83   and name HB1 ))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  489}
   (( segid "B   " and resid 83   and name HB2 ))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  489}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR {  489}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR {  489}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR {  489}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 5    and name HD23))
 OR {  489}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 5    and name HD23))
 OR {  489}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 5    and name HD23))
 OR {  489}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 5    and name HD21))
 OR {  489}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 5    and name HD21))
 OR {  489}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 5    and name HD22))
 OR {  489}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 5    and name HD21))
 OR {  489}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 5    and name HD22))
 OR {  489}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 5    and name HD22))
 ASSI {  490}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 13   and name HG11))
      2.300     0.600     0.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.12600E-01 ppm1      1.744 ppm2      1.276 CV     1
 OR {  490}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 13   and name HG11))
 OR {  490}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 13   and name HG11))
 OR {  490}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  490}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 13   and name HG11))
 OR {  490}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 13   and name HG12))
 OR {  490}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 13   and name HG12))
 OR {  490}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  490}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 13   and name HG12))
 OR {  490}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  490}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 13   and name HG13))
 OR {  490}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 13   and name HG12))
 ASSI {  491}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HE2 ))
      2.500     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.79531E-02 ppm1      1.743 ppm2      1.885 CV     1
 OR {  491}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB1 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB3 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  491}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB3 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  491}
   (( segid "A   " and resid 83   and name HB1 ))
   (( segid "B   " and resid 12   and name HE1 ))
 ASSI {  555}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 42   and name HD13))
      3.600     1.600     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      0.048 ppm2      0.869 CV     1
 OR {  555}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 13   and name HG21))
 OR {  555}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 13   and name HG23))
 OR {  555}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 42   and name HD12))
 OR {  555}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "A   " and resid 42   and name HD11))
 OR {  555}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 13   and name HG21))
 OR {  555}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "A   " and resid 42   and name HD13))
 OR {  555}
   (( segid "A   " and resid 82   and name HG22))
   (( segid "B   " and resid 13   and name HG23))
 OR {  555}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "B   " and resid 13   and name HG22))
 OR {  555}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 42   and name HD13))
 OR {  555}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "B   " and resid 13   and name HG21))
 OR {  555}
   (( segid "A   " and resid 82   and name HG21))
   (( segid "B   " and resid 13   and name HG23))
 OR {  555}
   (( segid "A   " and resid 82   and name HG23))
   (( segid "A   " and resid 42   and name HD11))
 ASSI {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD13))
      3.000     1.100     1.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.45866E-02 ppm1     -0.107 ppm2      0.867 CV     1
 OR {  565}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD13))
 OR {  565}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HD13))
 OR {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD12))
 OR {  565}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HD12))
 OR {  565}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD12))
 OR {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 37   and name HD21))
 OR {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 37   and name HD22))
 OR {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 37   and name HD23))
 OR {  565}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 37   and name HD21))
 OR {  565}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 42   and name HD11))
 OR {  565}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 42   and name HD11))
 OR {  565}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 37   and name HD22))
 OR {  565}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HD11))
 ASSI {  571}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 42   and name HB2 ))
      3.200     3.200     2.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.87160E-03 ppm1     -0.107 ppm2      2.116 CV     1
 OR {  571}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 5    and name HB2 ))
 OR {  571}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 5    and name HB2 ))
 OR {  571}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI {  572}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 85   and name HE3 ))
      3.500     1.500     1.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1     -0.109 ppm2      2.182 CV     1
 OR {  572}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "B   " and resid 9    and name HB2 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "B   " and resid 9    and name HB2 ))
 OR {  572}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "B   " and resid 9    and name HB2 ))
 ASSI {  592}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "A   " and resid 79   and name H   ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.86876E-03 ppm1     -0.105 ppm2      8.155 CV     1
 OR {  592}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "A   " and resid 79   and name H   ))
 OR {  592}
   (( segid "A   " and resid 82   and name HD11))
   (( segid "C   " and resid 1903  and name H   ))
 OR {  592}
   (( segid "A   " and resid 82   and name HD13))
   (( segid "C   " and resid 1903  and name H   ))
 OR {  592}
   (( segid "A   " and resid 82   and name HD12))
   (( segid "C   " and resid 1903  and name H   ))
 ASSI {  627}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "C   " and resid 1929  and name H   ))
      2.900     2.900     3.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.55729E-03 ppm1      0.260 ppm2      8.584 CV     1
 OR {  627}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "C   " and resid 1929  and name H   ))
 OR {  627}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "C   " and resid 1929  and name H   ))
 OR {  627}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  638}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "C   " and resid 1929  and name H   ))
      2.700     2.700     3.300 peak   638 spectrum    1 weight  0.10000E+01 volume  0.77167E-03 ppm1     -0.168 ppm2      8.575 CV     1
 OR {  638}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "C   " and resid 1929  and name H   ))
 OR {  638}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "C   " and resid 1929  and name H   ))
 OR {  638}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 79   and name H   ))
 ASSI {  640}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 80   and name H   ))
      3.000     3.000     3.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.43851E-03 ppm1     -0.159 ppm2      8.248 CV     1
 OR {  640}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 47   and name H   ))
 OR {  640}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 80   and name H   ))
 OR {  640}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 80   and name H   ))
 OR {  640}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 47   and name H   ))
 ASSI {  642}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 81   and name H   ))
      2.800     2.800     3.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.62990E-03 ppm1     -0.161 ppm2      7.623 CV     1
 OR {  642}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 81   and name H   ))
 OR {  642}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 81   and name H   ))
 OR {  642}
   (( segid "B   " and resid 82   and name HD11))
   (( segid "B   " and resid 42   and name H   ))
 ASSI {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 42   and name HD21))
      2.400     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.98257E-02 ppm1      0.255 ppm2      0.673 CV     1
 OR {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 9    and name HD23))
 OR {  665}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 42   and name HD21))
 OR {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 42   and name HD22))
 OR {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 9    and name HD21))
 OR {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "A   " and resid 9    and name HD22))
 OR {  665}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 42   and name HD23))
 OR {  665}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 42   and name HD22))
 OR {  665}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "A   " and resid 9    and name HD23))
 OR {  665}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 42   and name HD21))
 OR {  665}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "A   " and resid 9    and name HD23))
 ASSI {  668}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1930  and name HG2%)
      3.100     1.200     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.19443E-02 ppm1      0.254 ppm2      1.032 CV     1
 OR {  668}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  668}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1930  and name HG2%)
 OR {  668}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 38   and name HD21))
 OR {  668}
   (( segid "B   " and resid 82   and name HG22))
   (( segid "B   " and resid 38   and name HD21))
 OR {  668}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 38   and name HD23))
 OR {  668}
   (( segid "B   " and resid 82   and name HG21))
   (( segid "B   " and resid 38   and name HD22))
 OR {  668}
   (( segid "B   " and resid 82   and name HG23))
   (( segid "B   " and resid 38   and name HD21))
 ASSI {  669}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1930  and name HG1%)
      3.900     1.900     1.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.73438E-03 ppm1      0.254 ppm2      0.945 CV     1
 OR {  669}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1930  and name HG1%)
 OR {  669}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1930  and name HG1%)
 OR {  669}
   (( segid "B   " and resid 82   and name HG21))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  669}
   (( segid "B   " and resid 82   and name HG23))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  669}
   (( segid "B   " and resid 82   and name HG22))
   (  segid "C   " and resid 1921  and name HD1%)
 ASSI {  675}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1921  and name HD2%)
      2.500     2.500     3.500 peak   675 spectrum    1 weight  0.10000E+01 volume  0.26466E-02 ppm1     -0.163 ppm2      0.899 CV     1
 OR {  675}
   (( segid "B   " and resid 82   and name HD13))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  675}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 58   and name HD11))
 OR {  675}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1921  and name HD2%)
 OR {  675}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 58   and name HD12))
 OR {  675}
   (( segid "B   " and resid 82   and name HD12))
   (( segid "B   " and resid 58   and name HD13))
 OR {  675}
   (( segid "B   " and resid 82   and name HD13))
   (( segid "B   " and resid 58   and name HD11))
 OR {  675}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1929  and name HG1%)
 OR {  675}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1929  and name HG1%)
 ASSI {  680}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1921  and name HD1%)
      3.000     1.200     1.200 peak   680 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1     -0.164 ppm2      0.928 CV     1
 OR {  680}
   (( segid "B   " and resid 82   and name HD11))
   (  segid "C   " and resid 1921  and name HD1%)
 OR {  680}
   (( segid "B   " and resid 82   and name HD12))
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {  696}
   (( segid "A   " and resid 81   and name HB3 ))
   (  segid "C   " and resid 1903  and name HB% )
      3.800     1.800     1.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.49553E-03 ppm1      2.793 ppm2      1.595 CV     1
 OR {  696}
   (( segid "A   " and resid 81   and name HB3 ))
   (( segid "A   " and resid 82   and name HB  ))
 ASSI {  735}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 81   and name HB2 ))
      4.200     2.200     1.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      3.957 ppm2      3.296 CV     1
 OR {  735}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  736}
   (( segid "A   " and resid 80   and name HB2 ))
   (( segid "A   " and resid 81   and name HB2 ))
      3.900     1.900     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.94812E-03 ppm1      4.263 ppm2      3.300 CV     1
 OR {  736}
   (( segid "A   " and resid 80   and name HB2 ))
   (( segid "B   " and resid 79   and name HA  ))
 ASSI {  739}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "A   " and resid 81   and name HB2 ))
      4.000     2.000     2.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1      3.435 ppm2      3.292 CV     1
 OR {  739}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR {  739}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI {  746}
   (( segid "B   " and resid 80   and name HB2 ))
   (( segid "B   " and resid 80   and name HB3 ))
      2.300     0.700     0.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      4.305 ppm2      3.418 CV     1
 OR {  746}
   (( segid "B   " and resid 80   and name HB2 ))
   (( segid "B   " and resid 77   and name HA  ))
 ASSI {  758}
   (( segid "B   " and resid 80   and name HB3 ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.200     2.200     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.85229E-03 ppm1      3.420 ppm2      1.165 CV     1
 OR {  758}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "B   " and resid 77   and name HG12))
 OR {  758}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "B   " and resid 77   and name HG11))
 OR {  758}
   (( segid "A   " and resid 80   and name HB3 ))
   (( segid "B   " and resid 77   and name HG13))
 ASSI {  789}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 12   and name HE2 ))
      3.400     1.400     1.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.57334E-03 ppm1      1.037 ppm2      1.889 CV     1
 OR {  789}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  789}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  789}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  789}
   (( segid "A   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI {  802}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HE1 ))
      2.900     1.100     1.100 peak   802 spectrum    1 weight  0.10000E+01 volume  0.50634E-02 ppm1      0.565 ppm2      1.890 CV     1
 OR {  802}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  802}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI {  811}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD21))
      2.300     0.600     0.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.86553E-02 ppm1      0.440 ppm2      0.693 CV     1
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD22))
 OR {  811}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD22))
 OR {  811}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD23))
 OR {  811}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 42   and name HD22))
 OR {  811}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD23))
 OR {  811}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HD22))
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD23))
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HD21))
 OR {  811}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD21))
 OR {  811}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 42   and name HD23))
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HD23))
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD21))
 OR {  811}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 9    and name HD21))
 OR {  811}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HD22))
 ASSI {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD13))
      2.800     1.000     1.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.47687E-02 ppm1      0.441 ppm2      0.870 CV     1
 OR {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 37   and name HD22))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD13))
 OR {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 37   and name HD21))
 OR {  812}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 42   and name HD13))
 OR {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 37   and name HD23))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 37   and name HD22))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 37   and name HD21))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 37   and name HD23))
 OR {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD12))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD12))
 OR {  812}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 42   and name HD11))
 OR {  812}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 42   and name HD11))
 OR {  812}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 42   and name HD11))
 ASSI {  814}
   (( segid "A   " and resid 79   and name HD23))
   (  segid "C   " and resid 1900  and name HD1%)
      4.200     2.200     1.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.13623E-02 ppm1      0.442 ppm2      0.954 CV     1
 OR {  814}
   (( segid "A   " and resid 79   and name HD22))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  814}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 11   and name HG23))
 OR {  814}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 11   and name HG22))
 OR {  814}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 11   and name HG21))
 OR {  814}
   (( segid "A   " and resid 79   and name HD21))
   (  segid "C   " and resid 1900  and name HD1%)
 OR {  814}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 11   and name HG23))
 OR {  814}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 11   and name HG22))
 OR {  814}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 11   and name HG21))
 ASSI {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE2 ))
      3.300     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.37197E-02 ppm1      0.440 ppm2      1.891 CV     1
 OR {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  820}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI {  821}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 9    and name HB2 ))
      4.300     2.400     1.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      0.441 ppm2      2.184 CV     1
 OR {  821}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 9    and name HB2 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 9    and name HB2 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 41   and name HB3 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 41   and name HB3 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 41   and name HB3 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 85   and name HE1 ))
 OR {  821}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 85   and name HE3 ))
 ASSI {  823}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HG3 ))
      4.300     2.300     1.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.14311E-02 ppm1      0.441 ppm2      2.387 CV     1
 OR {  823}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 11   and name HB  ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 11   and name HB  ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  823}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 11   and name HB  ))
 ASSI {  828}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HA  ))
      4.300     2.300     1.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.97737E-03 ppm1      0.441 ppm2      4.066 CV     1
 OR {  828}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 12   and name HA  ))
 OR {  828}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HA  ))
 OR {  828}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "B   " and resid 6    and name HA  ))
 OR {  828}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI {  829}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 78   and name HA  ))
      4.300     2.300     1.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.85859E-03 ppm1      0.440 ppm2      4.268 CV     1
 OR {  829}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 78   and name HA  ))
 OR {  829}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 78   and name HA  ))
 OR {  829}
   (( segid "A   " and resid 79   and name HD22))
   (( segid "A   " and resid 80   and name HB2 ))
 OR {  829}
   (( segid "A   " and resid 79   and name HD23))
   (( segid "A   " and resid 80   and name HB2 ))
 OR {  829}
   (( segid "A   " and resid 79   and name HD21))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI {  838}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 13   and name H   ))
      2.900     2.900     3.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.65828E-03 ppm1      0.568 ppm2      8.456 CV     1
 OR {  838}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 13   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 13   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 11   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 11   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 11   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD11))
   (( segid "A   " and resid 76   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD12))
   (( segid "A   " and resid 86   and name H   ))
 OR {  838}
   (( segid "A   " and resid 79   and name HD13))
   (( segid "A   " and resid 86   and name H   ))
 ASSI {  860}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 12   and name HE3 ))
      3.800     1.800     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.76018E-03 ppm1      1.428 ppm2      1.883 CV     1
 OR {  860}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  860}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  860}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  860}
   (( segid "B   " and resid 79   and name HB2 ))
   (( segid "A   " and resid 12   and name HE3 ))
 ASSI {  867}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE2 ))
      3.000     1.100     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.81523E-03 ppm1      1.004 ppm2      1.873 CV     1
 OR {  867}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  867}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  867}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR {  867}
   (( segid "B   " and resid 79   and name HB3 ))
   (( segid "A   " and resid 12   and name HE1 ))
 ASSI {  898}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   898 spectrum    1 weight  0.10000E+01 volume  0.63252E-03 ppm1      0.474 ppm2      4.300 CV     1
 OR {  898}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 5    and name HA  ))
 OR {  898}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 5    and name HA  ))
 OR {  898}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI {  906}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HE3 ))
      2.700     0.900     0.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.76731E-02 ppm1      0.472 ppm2      1.879 CV     1
 OR {  906}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  906}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI {  912}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD21))
      3.700     1.700     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.20081E-02 ppm1      0.473 ppm2      0.682 CV     1
 OR {  912}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 42   and name HD22))
 OR {  912}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "B   " and resid 42   and name HD23))
 OR {  912}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "B   " and resid 42   and name HD22))
 OR {  912}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD23))
 OR {  912}
   (( segid "B   " and resid 79   and name HD12))
   (( segid "A   " and resid 9    and name HD22))
 OR {  912}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD21))
 OR {  912}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 9    and name HD21))
 OR {  912}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "B   " and resid 42   and name HD22))
 OR {  912}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD22))
 OR {  912}
   (( segid "B   " and resid 79   and name HD11))
   (( segid "A   " and resid 9    and name HD23))
 OR {  912}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 9    and name HD23))
 OR {  912}
   (( segid "B   " and resid 79   and name HD13))
   (( segid "A   " and resid 9    and name HD22))
 ASSI {  916}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD21))
      2.300     0.700     0.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.93488E-02 ppm1      0.462 ppm2      0.680 CV     1
 OR {  916}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD22))
 OR {  916}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD21))
 OR {  916}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HD23))
 OR {  916}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD22))
 OR {  916}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HD23))
 OR {  916}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 42   and name HD22))
 OR {  916}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 42   and name HD23))
 ASSI {  923}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HE1 ))
      2.600     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.36829E-02 ppm1      0.463 ppm2      1.883 CV     1
 OR {  923}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HE2 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD23))
   (( segid "A   " and resid 12   and name HE1 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE1 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE3 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  923}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI {  926}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 9    and name HB2 ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.70426E-03 ppm1      0.462 ppm2      2.190 CV     1
 OR {  926}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  926}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "A   " and resid 12   and name HB3 ))
 ASSI {  932}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 80   and name HB3 ))
      3.800     1.800     1.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.83583E-03 ppm1      0.463 ppm2      3.408 CV     1
 OR {  932}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 77   and name HA  ))
 OR {  932}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 45   and name HB2 ))
 OR {  932}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "B   " and resid 45   and name HB2 ))
 ASSI {  933}
   (( segid "B   " and resid 79   and name HD22))
   (( segid "A   " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.10251E-02 ppm1      0.462 ppm2      4.298 CV     1
 OR {  933}
   (( segid "B   " and resid 79   and name HD21))
   (( segid "B   " and resid 80   and name HB2 ))
 ASSI {  986}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1912  and name H   ))
      2.900     2.900     3.100 peak   986 spectrum    1 weight  0.10000E+01 volume  0.17638E-02 ppm1      0.960 ppm2      7.608 CV     1
 OR {  986}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "B   " and resid 81   and name H   ))
 OR {  986}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "B   " and resid 81   and name H   ))
 OR {  986}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "B   " and resid 81   and name H   ))
 ASSI {  989}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 75   and name H   ))
      3.900     1.900     1.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.73958E-03 ppm1      1.153 ppm2      8.917 CV     1
 OR {  989}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1908  and name H   ))
 OR {  989}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1908  and name H   ))
 OR {  989}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 75   and name H   ))
 ASSI {  998}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 73   and name HE22))
      4.100     2.100     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.10933E-02 ppm1      0.961 ppm2      6.796 CV     1
 OR {  998}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 73   and name HE22))
 OR {  998}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 73   and name HE22))
 OR {  998}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "B   " and resid 73   and name HE22))
 ASSI {  999}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1911  and name HA  ))
      1.900     0.500     0.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.12243E-01 ppm1      0.961 ppm2      4.251 CV     1
 OR {  999}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  999}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1911  and name HA  ))
 OR {  999}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1000}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.40794E-02 ppm1      1.157 ppm2      4.258 CV     1
 OR { 1000}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1911  and name HA  ))
 OR { 1000}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "C   " and resid 1911  and name HA  ))
 OR { 1000}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 78   and name HA  ))
 OR { 1000}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 78   and name HA  ))
 OR { 1000}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI { 1002}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      3.446 ppm2      4.265 CV     1
 OR { 1002}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1911  and name HA  ))
 ASSI { 1006}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 76   and name HG  ))
      3.600     1.700     1.700 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      0.961 ppm2      3.292 CV     1
 OR { 1006}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 76   and name HG  ))
 OR { 1006}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 76   and name HG  ))
 OR { 1006}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 81   and name HB2 ))
 OR { 1006}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI { 1015}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "C   " and resid 1910  and name HB3 ))
      4.000     2.000     2.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.71834E-03 ppm1      3.448 ppm2      2.557 CV     1
 OR { 1015}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI { 1025}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HB3 ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.42876E-02 ppm1      0.961 ppm2      2.558 CV     1
 OR { 1025}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR { 1025}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR { 1025}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "A   " and resid 76   and name HB3 ))
 OR { 1025}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "A   " and resid 76   and name HB3 ))
 OR { 1025}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR { 1025}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HG3 ))
 ASSI { 1029}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "C   " and resid 1914  and name HB  ))
      2.900     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.32751E-02 ppm1      0.961 ppm2      2.160 CV     1
 OR { 1029}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "C   " and resid 1914  and name HB  ))
 OR { 1029}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "C   " and resid 1914  and name HB  ))
 OR { 1029}
   (( segid "A   " and resid 77   and name HG13))
   (( segid "B   " and resid 84   and name HE3 ))
 OR { 1029}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "B   " and resid 84   and name HE3 ))
 OR { 1029}
   (( segid "A   " and resid 77   and name HG12))
   (( segid "B   " and resid 84   and name HE3 ))
 OR { 1029}
   (( segid "A   " and resid 77   and name HG11))
   (( segid "B   " and resid 84   and name HE1 ))
 ASSI { 1036}
   (( segid "A   " and resid 77   and name HG23))
   (( segid "A   " and resid 76   and name HB3 ))
      3.500     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.36286E-02 ppm1      1.157 ppm2      2.557 CV     1
 OR { 1036}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR { 1036}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HB3 ))
 OR { 1036}
   (( segid "A   " and resid 77   and name HG21))
   (( segid "A   " and resid 76   and name HB3 ))
 OR { 1036}
   (( segid "A   " and resid 77   and name HG22))
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI { 1048}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 73   and name HE22))
      2.900     2.900     3.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.98192E-03 ppm1      1.164 ppm2      6.786 CV     1
 OR { 1048}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 73   and name HE22))
 OR { 1048}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "A   " and resid 73   and name HE22))
 OR { 1048}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "A   " and resid 73   and name HE22))
 OR { 1048}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "A   " and resid 73   and name HE22))
 ASSI { 1056}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.10803E-02 ppm1      3.421 ppm2      3.274 CV     1
 OR { 1056}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI { 1060}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 73   and name HA  ))
      3.000     3.000     3.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.12347E-02 ppm1      1.160 ppm2      3.969 CV     1
 OR { 1060}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 73   and name HA  ))
 OR { 1060}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 1060}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 1060}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "A   " and resid 80   and name HA  ))
 ASSI { 1062}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.36655E-02 ppm1      1.161 ppm2      4.256 CV     1
 OR { 1062}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 62   and name HA  ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 62   and name HA  ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1910  and name HA  ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1910  and name HA  ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1910  and name HA  ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "A   " and resid 80   and name HB2 ))
 OR { 1062}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1063}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 78   and name HA  ))
      4.000     2.000     2.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.77187E-03 ppm1      1.159 ppm2      4.325 CV     1
 OR { 1063}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 78   and name HA  ))
 OR { 1063}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 78   and name HA  ))
 OR { 1063}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1063}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1063}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI { 1065}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.12496E-02 ppm1      1.163 ppm2      3.274 CV     1
 OR { 1065}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "B   " and resid 79   and name HA  ))
 OR { 1065}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "B   " and resid 79   and name HA  ))
 OR { 1065}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI { 1069}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HA  ))
      3.200     1.200     1.200 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.30260E-02 ppm1      1.019 ppm2      4.273 CV     1
 OR { 1069}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HA  ))
 OR { 1069}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "A   " and resid 80   and name HB2 ))
 OR { 1069}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 62   and name HA  ))
 OR { 1069}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1070}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 78   and name HB3 ))
      4.200     2.200     1.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.12505E-02 ppm1      1.025 ppm2      3.256 CV     1
 OR { 1070}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 78   and name HB3 ))
 OR { 1070}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 78   and name HB3 ))
 OR { 1070}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "A   " and resid 76   and name HG  ))
 OR { 1070}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI { 1071}
   (( segid "B   " and resid 77   and name HG13))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.700     0.900     0.900 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.57334E-02 ppm1      1.161 ppm2      2.563 CV     1
 OR { 1071}
   (( segid "B   " and resid 77   and name HG11))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR { 1071}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR { 1071}
   (( segid "B   " and resid 77   and name HG12))
   (( segid "B   " and resid 81   and name HB3 ))
 ASSI { 1076}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1914  and name HB  ))
      2.700     0.900     0.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.17781E-02 ppm1      1.020 ppm2      2.161 CV     1
 OR { 1076}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1914  and name HB  ))
 OR { 1076}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1914  and name HB  ))
 OR { 1076}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 84   and name HE3 ))
 OR { 1076}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 84   and name HE3 ))
 OR { 1076}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "B   " and resid 84   and name HE1 ))
 OR { 1076}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 84   and name HE3 ))
 ASSI { 1078}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1913  and name HG3 ))
      2.100     0.500     0.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.44329E-02 ppm1      1.020 ppm2      2.563 CV     1
 OR { 1078}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR { 1078}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1913  and name HG3 ))
 OR { 1078}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 81   and name HB3 ))
 ASSI { 1086}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name HG13))
      1.800     0.400     0.400 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.30390E-01 ppm1      1.019 ppm2      1.171 CV     1
 OR { 1086}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1086}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "B   " and resid 77   and name HG11))
 OR { 1086}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name HG13))
 OR { 1086}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1086}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "B   " and resid 77   and name HG11))
 OR { 1086}
   (( segid "B   " and resid 77   and name HG23))
   (  segid "C   " and resid 1917  and name HD1%)
 OR { 1086}
   (( segid "B   " and resid 77   and name HG21))
   (  segid "C   " and resid 1914  and name HG1%)
 OR { 1086}
   (( segid "B   " and resid 77   and name HG22))
   (  segid "C   " and resid 1917  and name HD1%)
 OR { 1086}
   (( segid "B   " and resid 77   and name HG23))
   (  segid "C   " and resid 1914  and name HG1%)
 OR { 1086}
   (( segid "B   " and resid 77   and name HG22))
   (  segid "C   " and resid 1914  and name HG1%)
 OR { 1086}
   (( segid "B   " and resid 77   and name HG21))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI { 1088}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG2 ))
      2.400     0.700     0.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.47816E-02 ppm1      1.023 ppm2      1.981 CV     1
 OR { 1088}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR { 1088}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR { 1088}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR { 1088}
   (( segid "B   " and resid 77   and name HG21))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1088}
   (( segid "B   " and resid 77   and name HG22))
   (( segid "C   " and resid 1910  and name HG3 ))
 OR { 1088}
   (( segid "B   " and resid 77   and name HG23))
   (( segid "C   " and resid 1910  and name HG3 ))
 ASSI { 1090}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 78   and name H   ))
      3.600     1.600     1.600 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.94508E-03 ppm1      3.569 ppm2      8.254 CV     1
 OR { 1090}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "B   " and resid 80   and name H   ))
 ASSI { 1096}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 73   and name HA  ))
      4.600     2.700     1.400 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.55642E-03 ppm1      3.572 ppm2      3.954 CV     1
 OR { 1096}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 1096}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "B   " and resid 83   and name HA  ))
 ASSI { 1101}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "C   " and resid 1910  and name HG3 ))
      4.200     2.200     1.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      3.163 ppm2      1.979 CV     1
 OR { 1101}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "C   " and resid 1910  and name HG2 ))
 OR { 1101}
   (( segid "A   " and resid 76   and name HB2 ))
   (( segid "C   " and resid 1917  and name HB3 ))
 ASSI { 1104}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 12   and name HE3 ))
      3.300     1.300     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      3.572 ppm2      1.883 CV     1
 OR { 1104}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 1104}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 1104}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI { 1118}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 79   and name HA  ))
      4.400     2.400     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.10053E-02 ppm1      3.565 ppm2      3.294 CV     1
 OR { 1118}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 75   and name HB2 ))
 ASSI { 1125}
   (( segid "B   " and resid 76   and name HB2 ))
   (( segid "A   " and resid 80   and name HB3 ))
      4.100     2.100     1.900 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.62558E-03 ppm1      3.113 ppm2      3.423 CV     1
 OR { 1125}
   (( segid "B   " and resid 76   and name HB2 ))
   (( segid "B   " and resid 77   and name HA  ))
 ASSI { 1127}
   (( segid "B   " and resid 76   and name HB3 ))
   (( segid "A   " and resid 80   and name HB3 ))
      2.300     0.700     0.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.98063E-03 ppm1      2.593 ppm2      3.424 CV     1
 OR { 1127}
   (( segid "B   " and resid 76   and name HB3 ))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 1128}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 12   and name HE3 ))
      3.700     1.700     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.22153E-02 ppm1      3.561 ppm2      1.881 CV     1
 OR { 1128}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 1128}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 1128}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 1128}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "A   " and resid 12   and name HE3 ))
 ASSI { 1172}
   (( segid "B   " and resid 74   and name HB3 ))
   (( segid "B   " and resid 74   and name HG2 ))
      3.200     1.300     1.300 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.67498E-03 ppm1      2.130 ppm2      2.921 CV     1
 OR { 1172}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 74   and name HG3 ))
 ASSI { 1173}
   (( segid "B   " and resid 74   and name HB3 ))
   (( segid "B   " and resid 74   and name HG3 ))
      2.800     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      2.129 ppm2      2.607 CV     1
 OR { 1173}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 74   and name HG2 ))
 ASSI { 1175}
   (( segid "B   " and resid 74   and name HG2 ))
   (( segid "B   " and resid 74   and name HB3 ))
      3.100     1.200     1.200 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.99080E-03 ppm1      2.608 ppm2      2.128 CV     1
 OR { 1175}
   (( segid "B   " and resid 74   and name HG3 ))
   (( segid "B   " and resid 74   and name HB3 ))
 OR { 1175}
   (( segid "A   " and resid 74   and name HG3 ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI { 1190}
   (( segid "B   " and resid 74   and name HB3 ))
   (( segid "B   " and resid 70   and name HG12))
      3.300     1.400     1.400 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      2.126 ppm2      1.193 CV     1
 OR { 1190}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1190}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1190}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 70   and name HG12))
 ASSI { 1194}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 78   and name H   ))
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.66739E-03 ppm1      4.324 ppm2      8.254 CV     1
 OR { 1194}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 64   and name H   ))
 ASSI { 1198}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 73   and name H   ))
      2.700     0.900     0.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      3.947 ppm2      8.270 CV     1
 OR { 1198}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 73   and name H   ))
 ASSI { 1199}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 74   and name H   ))
      3.400     1.400     1.400 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.94160E-03 ppm1      3.950 ppm2      8.906 CV     1
 OR { 1199}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 75   and name H   ))
 ASSI { 1202}
   (( segid "A   " and resid 73   and name HG2 ))
   (( segid "A   " and resid 73   and name H   ))
      3.200     1.300     1.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.16467E-02 ppm1      2.429 ppm2      8.276 CV     1
 OR { 1202}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 73   and name H   ))
 ASSI { 1204}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 74   and name H   ))
      4.000     2.000     2.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.77490E-03 ppm1      2.412 ppm2      8.895 CV     1
 OR { 1204}
   (( segid "A   " and resid 73   and name HG2 ))
   (( segid "A   " and resid 75   and name H   ))
 ASSI { 1205}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 73   and name HE21))
      2.900     1.000     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.14712E-02 ppm1      2.419 ppm2      7.643 CV     1
 OR { 1205}
   (( segid "A   " and resid 73   and name HG2 ))
   (( segid "A   " and resid 73   and name HE21))
 ASSI { 1206}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 73   and name HE22))
      3.900     1.900     1.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.14076E-02 ppm1      2.424 ppm2      6.788 CV     1
 OR { 1206}
   (( segid "A   " and resid 73   and name HG2 ))
   (( segid "A   " and resid 73   and name HE22))
 ASSI { 1208}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 77   and name HG11))
      3.400     1.500     1.500 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.15995E-02 ppm1      2.424 ppm2      1.163 CV     1
 OR { 1208}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 77   and name HG13))
 OR { 1208}
   (( segid "B   " and resid 73   and name HG2 ))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1208}
   (( segid "A   " and resid 73   and name HG2 ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR { 1208}
   (( segid "A   " and resid 73   and name HG2 ))
   (( segid "A   " and resid 77   and name HG23))
 ASSI { 1210}
   (( segid "A   " and resid 73   and name HA  ))
   (  segid "C   " and resid 1914  and name HG1%)
      4.000     2.000     2.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.80506E-03 ppm1      3.953 ppm2      1.172 CV     1
 OR { 1210}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 77   and name HG23))
 OR { 1210}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 77   and name HG11))
 OR { 1210}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1210}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 77   and name HG13))
 OR { 1210}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 77   and name HG22))
 OR { 1210}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 77   and name HG21))
 ASSI { 1211}
   (( segid "A   " and resid 73   and name HA  ))
   (  segid "C   " and resid 1914  and name HG2%)
      4.100     2.100     1.900 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.86944E-03 ppm1      3.953 ppm2      0.984 CV     1
 OR { 1211}
   (( segid "B   " and resid 73   and name HA  ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI { 1212}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.400     1.500     1.500 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.14026E-02 ppm1      3.949 ppm2      3.146 CV     1
 OR { 1212}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 76   and name HB2 ))
 OR { 1212}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "B   " and resid 84   and name HG2 ))
 ASSI { 1214}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 73   and name HG2 ))
      2.500     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.43654E-02 ppm1      3.952 ppm2      2.405 CV     1
 OR { 1214}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 73   and name HG2 ))
 ASSI { 1215}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "B   " and resid 84   and name HE3 ))
      3.800     1.800     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      3.943 ppm2      2.143 CV     1
 OR { 1215}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "B   " and resid 84   and name HE1 ))
 OR { 1215}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 74   and name HB3 ))
 OR { 1215}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 74   and name HB3 ))
 OR { 1215}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 74   and name HB2 ))
 ASSI { 1216}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 73   and name HB3 ))
      2.900     1.000     1.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      3.950 ppm2      2.262 CV     1
 OR { 1216}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 73   and name HB3 ))
 ASSI { 1229}
   (( segid "A   " and resid 72   and name HB3 ))
   (( segid "A   " and resid 72   and name HZ  ))
      4.700     2.800     1.300 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.69796E-03 ppm1      2.512 ppm2      6.907 CV     1
 OR { 1229}
   (( segid "A   " and resid 72   and name HB3 ))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 1295}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 64   and name H   ))
      4.800     2.900     1.200 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.52630E-03 ppm1      0.872 ppm2      8.263 CV     1
 OR { 1295}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 64   and name H   ))
 OR { 1295}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 64   and name H   ))
 OR { 1295}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 73   and name H   ))
 ASSI { 1299}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 62   and name HA  ))
      4.300     2.300     1.700 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      0.873 ppm2      4.326 CV     1
 OR { 1299}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1299}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1299}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 74   and name HA  ))
 ASSI { 1307}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 59   and name HG2 ))
      2.800     2.800     3.200 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.14382E-02 ppm1      0.875 ppm2      2.535 CV     1
 OR { 1307}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 59   and name HG2 ))
 OR { 1307}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 59   and name HG2 ))
 OR { 1307}
   (( segid "A   " and resid 70   and name HG21))
   (( segid "A   " and resid 72   and name HB3 ))
 OR { 1307}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 72   and name HB3 ))
 OR { 1307}
   (( segid "A   " and resid 70   and name HG22))
   (( segid "A   " and resid 72   and name HB3 ))
 OR { 1307}
   (( segid "A   " and resid 70   and name HG23))
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI { 1345}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 34   and name HA  ))
      4.100     2.100     1.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.93423E-03 ppm1      0.917 ppm2      4.004 CV     1
 OR { 1345}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1345}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 1345}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 74   and name HA  ))
 ASSI { 1348}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 63   and name HB2 ))
      3.200     1.200     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.15117E-02 ppm1      0.915 ppm2      2.916 CV     1
 OR { 1348}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 63   and name HB2 ))
 OR { 1348}
   (( segid "B   " and resid 70   and name HG23))
   (( segid "B   " and resid 63   and name HB2 ))
 OR { 1348}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 74   and name HG2 ))
 ASSI { 1353}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 74   and name HG2 ))
      3.600     1.600     1.600 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.19860E-02 ppm1      1.197 ppm2      2.930 CV     1
 OR { 1353}
   (( segid "B   " and resid 70   and name HG11))
   (( segid "B   " and resid 74   and name HG2 ))
 OR { 1353}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 74   and name HG2 ))
 OR { 1353}
   (( segid "B   " and resid 70   and name HG12))
   (( segid "B   " and resid 63   and name HB2 ))
 OR { 1353}
   (( segid "B   " and resid 70   and name HG13))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1362}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 74   and name HB3 ))
      2.800     1.000     1.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.34637E-02 ppm1      0.915 ppm2      2.136 CV     1
 OR { 1362}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 74   and name HB3 ))
 OR { 1362}
   (( segid "B   " and resid 70   and name HG21))
   (( segid "B   " and resid 29   and name HB2 ))
 OR { 1362}
   (( segid "B   " and resid 70   and name HG22))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI { 1403}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 67   and name HA  ))
      3.900     1.900     1.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.68863E-03 ppm1      3.200 ppm2      4.818 CV     1
 OR { 1403}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 69   and name HA  ))
 OR { 1403}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI { 1404}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.79724E-03 ppm1      3.123 ppm2      4.823 CV     1
 OR { 1404}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 67   and name HA  ))
 ASSI { 1406}
   (( segid "A   " and resid 68   and name HA  ))
   (( segid "A   " and resid 69   and name HA  ))
      4.400     2.500     1.600 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.49314E-03 ppm1      4.147 ppm2      4.811 CV     1
 OR { 1406}
   (( segid "A   " and resid 68   and name HA  ))
   (( segid "A   " and resid 67   and name HA  ))
 ASSI { 1437}
   (( segid "A   " and resid 67   and name HB3 ))
   (( segid "A   " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.41184E-02 ppm1      2.425 ppm2      4.816 CV     1
 OR { 1437}
   (( segid "B   " and resid 67   and name HB3 ))
   (( segid "B   " and resid 67   and name HA  ))
 ASSI { 1438}
   (( segid "A   " and resid 67   and name HB3 ))
   (( segid "A   " and resid 67   and name HB2 ))
      2.100     0.500     0.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.65744E-02 ppm1      2.426 ppm2      3.185 CV     1
 OR { 1438}
   (( segid "B   " and resid 67   and name HB3 ))
   (( segid "B   " and resid 67   and name HB2 ))
 ASSI { 1439}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.90085E-02 ppm1      4.819 ppm2      3.185 CV     1
 OR { 1439}
   (( segid "B   " and resid 67   and name HA  ))
   (( segid "B   " and resid 67   and name HB2 ))
 ASSI { 1457}
   (( segid "B   " and resid 66   and name HB3 ))
   (( segid "B   " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.29588E-02 ppm1      2.052 ppm2      4.159 CV     1
 OR { 1457}
   (( segid "A   " and resid 66   and name HB3 ))
   (( segid "A   " and resid 66   and name HA  ))
 OR { 1457}
   (( segid "A   " and resid 66   and name HB2 ))
   (( segid "A   " and resid 66   and name HA  ))
 OR { 1457}
   (( segid "B   " and resid 66   and name HB2 ))
   (( segid "B   " and resid 66   and name HA  ))
 ASSI { 1470}
   (( segid "B   " and resid 66   and name HG2 ))
   (( segid "B   " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.38301E-02 ppm1      1.629 ppm2      4.157 CV     1
 OR { 1470}
   (( segid "B   " and resid 66   and name HG3 ))
   (( segid "B   " and resid 66   and name HA  ))
 OR { 1470}
   (( segid "A   " and resid 66   and name HG3 ))
   (( segid "A   " and resid 66   and name HA  ))
 OR { 1470}
   (( segid "A   " and resid 66   and name HG2 ))
   (( segid "A   " and resid 66   and name HA  ))
 ASSI { 1504}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 63   and name H   ))
      4.400     2.400     1.600 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.51806E-03 ppm1      4.349 ppm2      7.867 CV     1
 OR { 1504}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 65   and name HD21))
 ASSI { 1510}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1911  and name HD21))
      3.800     1.800     1.800 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.11867E-02 ppm1      4.064 ppm2      7.836 CV     1
 OR { 1510}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 65   and name HD21))
 ASSI { 1521}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "C   " and resid 1908  and name HB2 ))
      3.700     1.700     1.700 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      4.061 ppm2      2.928 CV     1
 OR { 1521}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 74   and name HG3 ))
 OR { 1521}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI { 1525}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 74   and name HG3 ))
      3.900     1.900     1.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1      3.993 ppm2      2.932 CV     1
 OR { 1525}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "C   " and resid 1908  and name HB2 ))
 OR { 1525}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI { 1542}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 74   and name HG3 ))
      3.000     3.000     3.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.63814E-03 ppm1      4.117 ppm2      2.615 CV     1
 OR { 1542}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 59   and name HG2 ))
 ASSI { 1543}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 65   and name HB3 ))
      4.400     2.400     1.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.53518E-03 ppm1      4.129 ppm2      2.913 CV     1
 OR { 1543}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1583}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 70   and name HG23))
      4.200     2.200     1.800 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.78013E-03 ppm1      2.055 ppm2      0.876 CV     1
 OR { 1583}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1583}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1583}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 58   and name HD13))
 OR { 1583}
   (( segid "A   " and resid 62   and name HG  ))
   (( segid "A   " and resid 58   and name HD12))
 ASSI { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 70   and name HG23))
      2.300     0.700     0.700 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.12537E-01 ppm1      0.288 ppm2      0.871 CV     1
 OR { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG23))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 70   and name HG23))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 70   and name HG21))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 70   and name HG22))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 58   and name HD13))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 58   and name HD12))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 58   and name HD11))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 58   and name HD13))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 58   and name HD13))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 58   and name HD12))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 58   and name HD12))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 58   and name HD11))
 OR { 1604}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 58   and name HD11))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1604}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 37   and name HD23))
 OR { 1604}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name HD23))
 ASSI { 1606}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 29   and name HG  ))
      2.100     0.600     0.600 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.83105E-02 ppm1      0.288 ppm2      1.192 CV     1
 OR { 1606}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 1606}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 29   and name HG  ))
 OR { 1606}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 1606}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 29   and name HG  ))
 OR { 1606}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 1606}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1606}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 70   and name HG11))
 OR { 1606}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG13))
 OR { 1606}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 70   and name HG12))
 ASSI { 1609}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 58   and name HG  ))
      2.600     0.800     0.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.35050E-02 ppm1      0.289 ppm2      1.386 CV     1
 OR { 1609}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 1609}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 1609}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 1609}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI { 1610}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name HG  ))
      3.600     1.600     1.600 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.15275E-02 ppm1      0.286 ppm2      1.650 CV     1
 OR { 1610}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 1610}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 1610}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "C   " and resid 1907  and name HB% )
 OR { 1610}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI { 1611}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 59   and name HE3 ))
      3.200     1.300     1.300 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.45236E-02 ppm1      0.288 ppm2      1.887 CV     1
 OR { 1611}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD23))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 1611}
   (( segid "A   " and resid 62   and name HD21))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 1611}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 38   and name HB2 ))
 ASSI { 1614}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.50050E-02 ppm1      0.290 ppm2      2.167 CV     1
 OR { 1614}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name HB2 ))
 OR { 1614}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 29   and name HB2 ))
 OR { 1614}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 20   and name HB3 ))
 OR { 1614}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 20   and name HB3 ))
 OR { 1614}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI { 1615}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 19   and name HB3 ))
      2.600     0.900     0.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.34940E-02 ppm1      0.287 ppm2      2.347 CV     1
 OR { 1615}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 19   and name HB3 ))
 OR { 1615}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 19   and name HB3 ))
 OR { 1615}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 19   and name HB3 ))
 OR { 1615}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI { 1616}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 33   and name HB2 ))
      2.900     1.100     1.100 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.52087E-02 ppm1      0.287 ppm2      2.233 CV     1
 OR { 1616}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 1616}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 33   and name HB2 ))
 OR { 1616}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 1616}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 33   and name HB2 ))
 OR { 1616}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 1616}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 70   and name HB  ))
 ASSI { 1617}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 33   and name HG3 ))
      3.900     1.900     1.900 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.18741E-02 ppm1      0.288 ppm2      2.418 CV     1
 OR { 1617}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 33   and name HG3 ))
 OR { 1617}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 33   and name HG3 ))
 OR { 1617}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 33   and name HG3 ))
 OR { 1617}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 33   and name HG3 ))
 OR { 1617}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI { 1618}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 33   and name HG2 ))
      4.400     2.400     1.600 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.13684E-02 ppm1      0.288 ppm2      2.517 CV     1
 OR { 1618}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 33   and name HG2 ))
 OR { 1618}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 33   and name HG2 ))
 OR { 1618}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 33   and name HG2 ))
 OR { 1618}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 33   and name HG2 ))
 OR { 1618}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI { 1619}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.34269E-02 ppm1      0.286 ppm2      2.933 CV     1
 OR { 1619}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 1619}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 19   and name HB2 ))
 OR { 1619}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 1619}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 19   and name HB2 ))
 OR { 1619}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI { 1620}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 20   and name HB2 ))
      2.500     2.500     3.500 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.19229E-02 ppm1      0.289 ppm2      3.082 CV     1
 OR { 1620}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 20   and name HB2 ))
 OR { 1620}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 20   and name HB2 ))
 OR { 1620}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 55   and name HB3 ))
 OR { 1620}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 55   and name HB3 ))
 OR { 1620}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 55   and name HB3 ))
 OR { 1620}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 55   and name HB2 ))
 OR { 1620}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 55   and name HB2 ))
 ASSI { 1623}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name HA  ))
      2.900     1.000     1.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      0.287 ppm2      3.974 CV     1
 OR { 1623}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 1623}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 1623}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 1623}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 1628}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 19   and name H   ))
      3.900     1.900     1.900 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.18515E-02 ppm1      0.282 ppm2      6.865 CV     1
 OR { 1628}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 19   and name H   ))
 OR { 1628}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 19   and name H   ))
 OR { 1628}
   (( segid "B   " and resid 29   and name HD21))
   (  segid "B   " and resid 19   and name HE% )
 OR { 1628}
   (( segid "A   " and resid 29   and name HD21))
   (  segid "A   " and resid 19   and name HE% )
 OR { 1628}
   (( segid "B   " and resid 29   and name HD22))
   (  segid "B   " and resid 19   and name HE% )
 OR { 1628}
   (( segid "B   " and resid 29   and name HD23))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 1629}
   (( segid "A   " and resid 62   and name HD23))
   (  segid "A   " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.15279E-02 ppm1      0.289 ppm2      6.905 CV     1
 OR { 1629}
   (( segid "B   " and resid 29   and name HD22))
   (  segid "B   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "A   " and resid 29   and name HD22))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "A   " and resid 62   and name HD22))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "B   " and resid 29   and name HD23))
   (  segid "B   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "A   " and resid 62   and name HD21))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "A   " and resid 29   and name HD23))
   (  segid "A   " and resid 75   and name HD% )
 OR { 1629}
   (( segid "A   " and resid 29   and name HD21))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 1632}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 22   and name H   ))
      3.800     1.800     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.78381E-03 ppm1      0.293 ppm2      7.218 CV     1
 OR { 1632}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 22   and name H   ))
 OR { 1632}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 22   and name H   ))
 OR { 1632}
   (( segid "A   " and resid 29   and name HD23))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1632}
   (( segid "A   " and resid 29   and name HD22))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1632}
   (( segid "A   " and resid 29   and name HD21))
   (  segid "A   " and resid 55   and name HE% )
 OR { 1632}
   (( segid "A   " and resid 29   and name HD23))
   (  segid "A   " and resid 55   and name HD% )
 OR { 1632}
   (( segid "A   " and resid 29   and name HD22))
   (  segid "A   " and resid 55   and name HD% )
 ASSI { 1636}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 37   and name H   ))
      3.700     1.700     1.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      0.286 ppm2      7.951 CV     1
 OR { 1636}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 37   and name H   ))
 OR { 1636}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 37   and name H   ))
 OR { 1636}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 37   and name H   ))
 OR { 1636}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 37   and name H   ))
 OR { 1636}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 37   and name H   ))
 OR { 1636}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 35   and name H   ))
 ASSI { 1638}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 20   and name H   ))
      3.100     1.200     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.26445E-02 ppm1      0.292 ppm2      8.337 CV     1
 OR { 1638}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 20   and name H   ))
 OR { 1638}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 20   and name H   ))
 OR { 1638}
   (( segid "A   " and resid 62   and name HD22))
   (( segid "A   " and resid 61   and name H   ))
 ASSI { 1639}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 33   and name H   ))
      4.500     2.500     1.500 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      0.288 ppm2      8.691 CV     1
 OR { 1639}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 33   and name H   ))
 OR { 1639}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 33   and name H   ))
 OR { 1639}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 33   and name H   ))
 OR { 1639}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 33   and name H   ))
 ASSI { 1640}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 34   and name H   ))
      3.400     1.400     1.400 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.18045E-02 ppm1      0.287 ppm2      8.929 CV     1
 OR { 1640}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 34   and name H   ))
 OR { 1640}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 34   and name H   ))
 OR { 1640}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 34   and name H   ))
 OR { 1640}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 34   and name H   ))
 ASSI { 1642}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 30   and name H   ))
      3.800     1.800     1.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.30693E-02 ppm1      0.289 ppm2      9.644 CV     1
 OR { 1642}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1642}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 29   and name H   ))
 OR { 1642}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1642}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 29   and name H   ))
 OR { 1642}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 30   and name H   ))
 OR { 1642}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 29   and name H   ))
 OR { 1642}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 30   and name H   ))
 ASSI { 1643}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 33   and name HA  ))
      3.700     1.700     1.700 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.14384E-02 ppm1      0.286 ppm2      4.068 CV     1
 OR { 1643}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 33   and name HA  ))
 OR { 1643}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 33   and name HA  ))
 OR { 1643}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 33   and name HA  ))
 OR { 1643}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 33   and name HA  ))
 OR { 1643}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 1646}
   (( segid "B   " and resid 62   and name HB2 ))
   (( segid "B   " and resid 70   and name HG21))
      2.900     1.000     1.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      1.676 ppm2      0.913 CV     1
 OR { 1646}
   (( segid "B   " and resid 62   and name HB2 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1646}
   (( segid "B   " and resid 62   and name HB2 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1646}
   (( segid "B   " and resid 62   and name HB2 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1650}
   (( segid "B   " and resid 62   and name HB3 ))
   (( segid "B   " and resid 70   and name HG21))
      3.600     1.600     1.600 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.13014E-02 ppm1      1.377 ppm2      0.909 CV     1
 OR { 1650}
   (( segid "B   " and resid 62   and name HB3 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1650}
   (( segid "B   " and resid 62   and name HB3 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1650}
   (( segid "B   " and resid 62   and name HB3 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (( segid "B   " and resid 70   and name HG21))
      3.000     1.200     1.200 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.18863E-02 ppm1      1.811 ppm2      0.907 CV     1
 OR { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (( segid "B   " and resid 34   and name HD13))
 OR { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (( segid "B   " and resid 34   and name HD12))
 OR { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1655}
   (( segid "B   " and resid 62   and name HG  ))
   (  segid "C   " and resid 1921  and name HD2%)
 ASSI { 1666}
   (( segid "B   " and resid 62   and name HD12))
   (  segid "C   " and resid 1921  and name HD2%)
      2.200     0.600     0.600 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.15297E-01 ppm1      0.556 ppm2      0.907 CV     1
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1666}
   (( segid "B   " and resid 62   and name HD11))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1666}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 34   and name HD13))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 34   and name HD12))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1666}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1667}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 34   and name HD23))
      3.100     3.100     2.900 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.36806E-02 ppm1      0.556 ppm2      0.851 CV     1
 OR { 1667}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 34   and name HD21))
 OR { 1667}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 37   and name HD23))
 ASSI { 1672}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1917  and name HB3 ))
      4.200     2.200     1.800 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.15082E-02 ppm1      0.556 ppm2      1.975 CV     1
 OR { 1672}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR { 1672}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1917  and name HB3 ))
 OR { 1672}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1921  and name HB2 ))
 OR { 1672}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1921  and name HB2 ))
 OR { 1672}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1921  and name HB2 ))
 ASSI { 1677}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD2%)
      3.100     1.200     1.200 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.50224E-02 ppm1      0.414 ppm2      1.027 CV     1
 OR { 1677}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD2%)
 OR { 1677}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD2%)
 OR { 1677}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 38   and name HD13))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 38   and name HD11))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 38   and name HD13))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 38   and name HD13))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 38   and name HD11))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 38   and name HD11))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 38   and name HD12))
 OR { 1677}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 38   and name HD12))
 ASSI { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1921  and name HD2%)
      2.000     0.500     0.500 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.22283E-01 ppm1      0.414 ppm2      0.908 CV     1
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1678}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 70   and name HG22))
 ASSI { 1679}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HD22))
      2.500     2.500     3.500 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.83192E-02 ppm1      0.414 ppm2      0.841 CV     1
 OR { 1679}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HD22))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HD22))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1679}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 34   and name HD21))
 ASSI { 1680}
   (( segid "B   " and resid 62   and name HD23))
   (  segid "C   " and resid 1917  and name HD1%)
      3.200     1.300     1.300 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.54841E-02 ppm1      0.414 ppm2      1.193 CV     1
 OR { 1680}
   (( segid "B   " and resid 62   and name HD21))
   (  segid "C   " and resid 1917  and name HD1%)
 OR { 1680}
   (( segid "B   " and resid 62   and name HD22))
   (  segid "C   " and resid 1917  and name HD1%)
 OR { 1680}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1680}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG13))
 OR { 1680}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1680}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG12))
 OR { 1680}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 70   and name HG11))
 ASSI { 1683}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 58   and name HG  ))
      3.800     1.800     1.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      0.556 ppm2      1.416 CV     1
 OR { 1683}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 58   and name HG  ))
 OR { 1683}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 58   and name HG  ))
 OR { 1683}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 79   and name HB2 ))
 OR { 1683}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 79   and name HB2 ))
 ASSI { 1685}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HB3 ))
      2.700     2.700     3.300 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.11681E-02 ppm1      0.414 ppm2      1.913 CV     1
 OR { 1685}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 59   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 1685}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "A   " and resid 9    and name HG  ))
 ASSI { 1691}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 85   and name HE1 ))
      4.800     2.900     1.200 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.76731E-03 ppm1      0.416 ppm2      2.092 CV     1
 OR { 1691}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 85   and name HE1 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 85   and name HE1 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 85   and name HE2 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 85   and name HE2 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 85   and name HE2 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 85   and name HE3 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 85   and name HE3 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 85   and name HE3 ))
 OR { 1691}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "C   " and resid 1918  and name HB2 ))
 ASSI { 1698}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.95028E-03 ppm1      0.558 ppm2      4.020 CV     1
 OR { 1698}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1698}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 74   and name HA  ))
 OR { 1698}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "B   " and resid 58   and name HA  ))
 ASSI { 1699}
   (( segid "B   " and resid 62   and name HD12))
   (( segid "C   " and resid 1918  and name HA  ))
      4.400     2.400     1.600 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.95742E-03 ppm1      0.555 ppm2      3.921 CV     1
 OR { 1699}
   (( segid "B   " and resid 62   and name HD13))
   (( segid "C   " and resid 1918  and name HA  ))
 OR { 1699}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "C   " and resid 1918  and name HA  ))
 OR { 1699}
   (( segid "B   " and resid 62   and name HD11))
   (( segid "B   " and resid 59   and name HA  ))
 ASSI { 1700}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 58   and name HA  ))
      3.300     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      0.415 ppm2      4.022 CV     1
 OR { 1700}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 58   and name HA  ))
 OR { 1700}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 58   and name HA  ))
 OR { 1700}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 74   and name HA  ))
 ASSI { 1704}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 78   and name HA  ))
      4.200     2.200     1.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      0.415 ppm2      4.324 CV     1
 OR { 1704}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 78   and name HA  ))
 OR { 1704}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 78   and name HA  ))
 OR { 1704}
   (( segid "B   " and resid 62   and name HD22))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1704}
   (( segid "B   " and resid 62   and name HD23))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1704}
   (( segid "B   " and resid 62   and name HD21))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI { 1750}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "C   " and resid 1921  and name HD2%)
      3.100     1.200     1.200 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.75737E-03 ppm1      2.325 ppm2      0.899 CV     1
 OR { 1750}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1750}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 58   and name HD13))
 ASSI { 1751}
   (( segid "B   " and resid 61   and name HA  ))
   (  segid "C   " and resid 1921  and name HD2%)
      4.500     2.600     1.500 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.77881E-03 ppm1      4.555 ppm2      0.901 CV     1
 OR { 1751}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1751}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1751}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 58   and name HD11))
 ASSI { 1758}
   (( segid "B   " and resid 55   and name HA  ))
   (( segid "B   " and resid 56   and name HG2 ))
      3.600     1.600     1.600 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      4.065 ppm2      2.519 CV     1
 OR { 1758}
   (( segid "B   " and resid 55   and name HA  ))
   (( segid "B   " and resid 56   and name HG3 ))
 OR { 1758}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 59   and name HG2 ))
 ASSI { 1759}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 59   and name HG3 ))
      4.600     2.600     1.400 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.66306E-03 ppm1      4.070 ppm2      2.439 CV     1
 OR { 1759}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 59   and name HG3 ))
 OR { 1759}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 63   and name HB3 ))
 OR { 1759}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 63   and name HB3 ))
 ASSI { 1804}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "C   " and resid 1900  and name HB3 ))
      3.100     1.200     1.200 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      3.871 ppm2      2.060 CV     1
 OR { 1804}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 62   and name HG  ))
 ASSI { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 34   and name HD12))
      4.100     2.100     1.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.74998E-03 ppm1      2.179 ppm2      0.787 CV     1
 OR { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 34   and name HD11))
 OR { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 58   and name HD23))
 OR { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 58   and name HD21))
 OR { 1809}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 58   and name HD22))
 ASSI { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 34   and name HD11))
      4.500     2.600     1.500 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.93791E-03 ppm1      1.858 ppm2      0.785 CV     1
 OR { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 58   and name HD23))
 OR { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 58   and name HD21))
 OR { 1810}
   (( segid "A   " and resid 59   and name HB3 ))
   (( segid "A   " and resid 58   and name HD22))
 ASSI { 1814}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 34   and name HD11))
      4.000     2.000     2.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.15238E-02 ppm1      2.535 ppm2      0.787 CV     1
 OR { 1814}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1814}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1814}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 58   and name HD21))
 OR { 1814}
   (( segid "A   " and resid 59   and name HG2 ))
   (( segid "A   " and resid 58   and name HD23))
 ASSI { 1815}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 34   and name HD11))
      3.700     1.700     1.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14995E-02 ppm1      2.431 ppm2      0.788 CV     1
 OR { 1815}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 34   and name HD12))
 OR { 1815}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 34   and name HD13))
 OR { 1815}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 58   and name HD23))
 ASSI { 1819}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 59   and name HB3 ))
      2.200     0.600     0.600 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.69254E-02 ppm1      2.435 ppm2      1.899 CV     1
 OR { 1819}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 1819}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 1819}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 59   and name HE1 ))
 ASSI { 1824}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 31   and name HD3 ))
      4.200     2.200     1.800 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.12708E-02 ppm1      2.430 ppm2      1.776 CV     1
 OR { 1824}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 31   and name HD3 ))
 OR { 1824}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 31   and name HD2 ))
 OR { 1824}
   (( segid "A   " and resid 59   and name HG3 ))
   (( segid "A   " and resid 31   and name HD2 ))
 ASSI { 1829}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 34   and name HB3 ))
      2.600     2.600     3.400 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.35050E-02 ppm1      1.907 ppm2      1.388 CV     1
 OR { 1829}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 1829}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 1829}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 1830}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 31   and name HG3 ))
      2.800     1.000     1.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.66416E-02 ppm1      1.904 ppm2      1.496 CV     1
 OR { 1830}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 31   and name HG3 ))
 OR { 1830}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 31   and name HG3 ))
 OR { 1830}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 69   and name HB2 ))
 ASSI { 1833}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 63   and name HB2 ))
      3.300     1.400     1.400 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.27529E-02 ppm1      1.902 ppm2      2.927 CV     1
 OR { 1833}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 63   and name HB2 ))
 OR { 1833}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 74   and name HG3 ))
 OR { 1833}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 74   and name HG3 ))
 OR { 1833}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 74   and name HG3 ))
 ASSI { 1834}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 30   and name HB3 ))
      3.100     1.200     1.200 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.64117E-02 ppm1      1.903 ppm2      3.037 CV     1
 OR { 1834}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 1834}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 1834}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 31   and name HE3 ))
 OR { 1834}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 31   and name HE2 ))
 OR { 1834}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 31   and name HE3 ))
 OR { 1834}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 31   and name HE2 ))
 ASSI { 1841}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 30   and name HA  ))
      2.000     0.500     0.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.22846E-01 ppm1      1.903 ppm2      4.818 CV     1
 OR { 1841}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 30   and name HA  ))
 OR { 1841}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 69   and name HA  ))
 OR { 1841}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 30   and name HA  ))
 OR { 1841}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 69   and name HA  ))
 ASSI { 1850}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 69   and name H   ))
      2.700     0.900     0.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.73351E-02 ppm1      1.903 ppm2      7.861 CV     1
 OR { 1850}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 69   and name H   ))
 OR { 1850}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 63   and name H   ))
 OR { 1850}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 69   and name H   ))
 OR { 1850}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 63   and name H   ))
 ASSI { 1856}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 30   and name H   ))
      3.300     1.300     1.300 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.24364E-02 ppm1      1.903 ppm2      9.647 CV     1
 OR { 1856}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 30   and name H   ))
 OR { 1856}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1856}
   (( segid "A   " and resid 59   and name HE3 ))
   (( segid "A   " and resid 29   and name H   ))
 OR { 1856}
   (( segid "A   " and resid 59   and name HE2 ))
   (( segid "A   " and resid 29   and name H   ))
 ASSI { 1862}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 70   and name HG22))
      3.000     1.100     1.100 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.23583E-02 ppm1      3.922 ppm2      0.911 CV     1
 OR { 1862}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1862}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1862}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1862}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1865}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 70   and name HG23))
      4.300     2.300     1.700 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.81674E-03 ppm1      2.259 ppm2      0.909 CV     1
 OR { 1865}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1865}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1865}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1865}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 70   and name HG22))
      4.700     2.800     1.300 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.82152E-03 ppm1      1.903 ppm2      0.906 CV     1
 OR { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 34   and name HD12))
 OR { 1867}
   (( segid "B   " and resid 59   and name HB3 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1868}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 70   and name HG22))
      3.900     1.900     1.900 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      2.600 ppm2      0.911 CV     1
 OR { 1868}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1868}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1868}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1868}
   (( segid "B   " and resid 59   and name HG2 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1869}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 70   and name HG22))
      3.700     1.700     1.700 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.15514E-02 ppm1      2.447 ppm2      0.910 CV     1
 OR { 1869}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1869}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1869}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1869}
   (( segid "B   " and resid 59   and name HG3 ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1882}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      2.259 ppm2      4.033 CV     1
 OR { 1882}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1882}
   (( segid "B   " and resid 59   and name HB2 ))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG23))
      1.700     0.400     0.500 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.44109E-01 ppm1      1.972 ppm2      0.913 CV     1
 OR { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD13))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 34   and name HD12))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1902}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 70   and name HG21))
 ASSI { 1908}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.000     3.000     3.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.55642E-02 ppm1      1.970 ppm2      2.150 CV     1
 OR { 1908}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR { 1908}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 69   and name HG2 ))
 OR { 1908}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 69   and name HG2 ))
 OR { 1908}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 69   and name HG2 ))
 ASSI { 1914}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 30   and name HB3 ))
      3.500     1.600     1.600 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.38692E-02 ppm1      1.972 ppm2      3.066 CV     1
 OR { 1914}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 30   and name HB3 ))
 OR { 1914}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name HE3 ))
 OR { 1914}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 31   and name HE2 ))
 OR { 1914}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 30   and name HB3 ))
 ASSI { 1919}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 58   and name HA  ))
      4.700     1.300     1.300 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.33294E-02 ppm1      1.971 ppm2      4.016 CV     1
 OR { 1919}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 58   and name HA  ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 60   and name HB2 ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 60   and name HB2 ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1919}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI { 1921}
   (( segid "B   " and resid 59   and name HE2 ))
   (( segid "B   " and resid 60   and name HA  ))
      4.300     2.300     1.700 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.11655E-02 ppm1      1.973 ppm2      4.314 CV     1
 OR { 1921}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 60   and name HA  ))
 OR { 1921}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 60   and name HA  ))
 OR { 1921}
   (( segid "B   " and resid 59   and name HE1 ))
   (( segid "B   " and resid 75   and name HA  ))
 OR { 1921}
   (( segid "B   " and resid 59   and name HE3 ))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI { 1950}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.66090E-03 ppm1      3.870 ppm2      4.250 CV     1
 OR { 1950}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 1950}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 55   and name HA  ))
 ASSI { 1986}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 61   and name HA  ))
      4.800     2.800     1.200 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.66610E-03 ppm1      0.868 ppm2      4.462 CV     1
 OR { 1986}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 61   and name HA  ))
 OR { 1986}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 61   and name HA  ))
 OR { 1986}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 45   and name HA  ))
 ASSI { 1987}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1      0.867 ppm2      4.334 CV     1
 OR { 1987}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1987}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 62   and name HA  ))
 OR { 1987}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "C   " and resid 1903  and name HA  ))
 OR { 1987}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "C   " and resid 1903  and name HA  ))
 ASSI { 1988}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 55   and name HA  ))
      4.200     2.200     1.800 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.14904E-02 ppm1      0.867 ppm2      4.253 CV     1
 OR { 1988}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 1988}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 1988}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 81   and name HA  ))
 OR { 1988}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 81   and name HA  ))
 ASSI { 2005}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 38   and name HD22))
      2.600     0.900     0.900 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.61040E-02 ppm1      0.806 ppm2      0.934 CV     1
 OR { 2005}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD22))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD22))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 38   and name HD21))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD21))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD21))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 38   and name HD23))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD12))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD13))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 62   and name HD12))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 62   and name HD11))
 OR { 2005}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 62   and name HD12))
 ASSI { 2016}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 55   and name HB2 ))
      2.900     2.900     3.100 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      0.804 ppm2      3.170 CV     1
 OR { 2016}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 55   and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 55   and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "C   " and resid 1911  and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "C   " and resid 1911  and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 76   and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 76   and name HB2 ))
 OR { 2016}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "C   " and resid 1911  and name HB2 ))
 ASSI { 2017}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 55   and name HB3 ))
      4.200     2.200     1.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.80787E-03 ppm1      0.801 ppm2      3.046 CV     1
 OR { 2017}
   (( segid "A   " and resid 58   and name HD21))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 57   and name HE2 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 57   and name HE2 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD22))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 57   and name HE2 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 57   and name HE3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 57   and name HE3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 57   and name HE3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD11))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD13))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD12))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2017}
   (( segid "A   " and resid 58   and name HD23))
   (( segid "A   " and resid 57   and name HE2 ))
 OR { 2017}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI { 2021}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 58   and name H   ))
      3.100     1.200     1.200 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.14740E-02 ppm1      1.928 ppm2      7.997 CV     1
 OR { 2021}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 57   and name H   ))
 ASSI { 2023}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 58   and name H   ))
      2.700     0.900     0.900 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.21557E-02 ppm1      4.024 ppm2      8.001 CV     1
 OR { 2023}
   (( segid "B   " and resid 58   and name HA  ))
   (( segid "B   " and resid 62   and name H   ))
 ASSI { 2052}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1926  and name HG  ))
      3.900     1.900     1.900 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      0.900 ppm2      1.681 CV     1
 OR { 2052}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1926  and name HG  ))
 OR { 2052}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1926  and name HG  ))
 OR { 2052}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1921  and name HB3 ))
 OR { 2052}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1921  and name HB3 ))
 ASSI { 2055}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1921  and name HB2 ))
      3.900     1.900     1.900 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      0.902 ppm2      1.980 CV     1
 OR { 2055}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 2055}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 2055}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 59   and name HE1 ))
 OR { 2055}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 2055}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "B   " and resid 59   and name HE2 ))
 OR { 2055}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "B   " and resid 59   and name HE2 ))
 ASSI { 2061}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD13))
      3.500     3.500     2.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      0.829 ppm2      0.553 CV     1
 OR { 2061}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD12))
 OR { 2061}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 82   and name HG12))
 OR { 2061}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 62   and name HD11))
 ASSI { 2062}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 50   and name HG22))
      2.300     0.700     0.700 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.84926E-02 ppm1      0.830 ppm2      1.040 CV     1
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 50   and name HG22))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 50   and name HG22))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 38   and name HD11))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 50   and name HG21))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 50   and name HG23))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "B   " and resid 50   and name HG23))
 OR { 2062}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 50   and name HG23))
 ASSI { 2069}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.97585E-03 ppm1      0.830 ppm2      3.087 CV     1
 OR { 2069}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 2069}
   (( segid "B   " and resid 58   and name HD21))
   (( segid "B   " and resid 55   and name HB3 ))
 OR { 2069}
   (( segid "B   " and resid 58   and name HD22))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 2069}
   (( segid "B   " and resid 58   and name HD23))
   (( segid "B   " and resid 55   and name HB2 ))
 ASSI { 2071}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1927  and name HG2 ))
      3.000     1.100     1.100 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      0.903 ppm2      1.363 CV     1
 OR { 2071}
   (( segid "B   " and resid 58   and name HD11))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR { 2071}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1927  and name HG2 ))
 OR { 2071}
   (( segid "B   " and resid 58   and name HD13))
   (( segid "C   " and resid 1926  and name HB3 ))
 OR { 2071}
   (( segid "B   " and resid 58   and name HD12))
   (( segid "C   " and resid 1926  and name HB3 ))
 ASSI { 2129}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name H   ))
      2.700     0.900     0.900 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.37910E-02 ppm1      4.090 ppm2      7.985 CV     1
 OR { 2129}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 58   and name H   ))
 ASSI { 2153}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HE21))
      2.400     0.700     0.700 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.76799E-02 ppm1      2.514 ppm2      7.513 CV     1
 OR { 2153}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HE21))
 OR { 2153}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name HE21))
 OR { 2153}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name HE21))
 ASSI { 2154}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HE22))
      3.100     1.200     1.200 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.58893E-02 ppm1      2.513 ppm2      6.932 CV     1
 OR { 2154}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HE22))
 OR { 2154}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name HE22))
 OR { 2154}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name HE22))
 ASSI { 2160}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.62729E-02 ppm1      2.514 ppm2      4.241 CV     1
 OR { 2160}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 53   and name HA  ))
 OR { 2160}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 53   and name HA  ))
 ASSI { 2162}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 57   and name HE3 ))
      3.500     1.500     1.500 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.24580E-02 ppm1      2.516 ppm2      3.046 CV     1
 OR { 2162}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2162}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 57   and name HE3 ))
 OR { 2162}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2162}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 31   and name HE2 ))
 OR { 2162}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 31   and name HE3 ))
 OR { 2162}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 31   and name HE2 ))
 OR { 2162}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 31   and name HE3 ))
 ASSI { 2164}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 57   and name HD3 ))
      3.700     1.700     1.700 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      2.514 ppm2      1.775 CV     1
 OR { 2164}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 57   and name HD3 ))
 OR { 2164}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 31   and name HD2 ))
 OR { 2164}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 31   and name HD3 ))
 OR { 2164}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 31   and name HD3 ))
 ASSI { 2165}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 57   and name HB3 ))
      4.300     2.300     1.700 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.17050E-02 ppm1      2.516 ppm2      1.911 CV     1
 OR { 2165}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 57   and name HB3 ))
 OR { 2165}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 57   and name HB3 ))
 OR { 2165}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 2165}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 58   and name HB3 ))
 ASSI { 2194}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 58   and name H   ))
      4.400     2.400     1.600 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.68192E-03 ppm1      4.099 ppm2      8.334 CV     1
 OR { 2194}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name H   ))
 ASSI { 2210}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1898  and name HB2 ))
      2.500     0.800     0.800 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.48901E-02 ppm1      1.317 ppm2      1.960 CV     1
 OR { 2210}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1898  and name HB2 ))
 OR { 2210}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1898  and name HB2 ))
 OR { 2210}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 57   and name HB2 ))
 OR { 2210}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 57   and name HB2 ))
 ASSI { 2212}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 49   and name HG3 ))
      2.500     2.500     3.500 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      1.318 ppm2      1.644 CV     1
 OR { 2212}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 49   and name HG3 ))
 OR { 2212}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 49   and name HG3 ))
 OR { 2212}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 57   and name HD2 ))
 OR { 2212}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 57   and name HD2 ))
 ASSI { 2213}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.34595E-02 ppm1      1.319 ppm2      1.523 CV     1
 OR { 2213}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 53   and name HB3 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 58   and name HB2 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 58   and name HB2 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 53   and name HB2 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 53   and name HB3 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 53   and name HB2 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 53   and name HB3 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 53   and name HB2 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR { 2213}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 53   and name HB3 ))
 OR { 2213}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 58   and name HB2 ))
 ASSI { 2214}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1926  and name HD2%)
      3.900     1.900     1.900 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.18412E-02 ppm1      1.326 ppm2      0.865 CV     1
 OR { 2214}
   (( segid "B   " and resid 54   and name HB2 ))
   (  segid "C   " and resid 1926  and name HD2%)
 OR { 2214}
   (( segid "B   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1926  and name HD2%)
 OR { 2214}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 58   and name HD11))
 OR { 2214}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 58   and name HD11))
 OR { 2214}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 58   and name HD12))
 OR { 2214}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 58   and name HD11))
 ASSI { 2217}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 56   and name HB3 ))
      4.000     2.000     2.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.56746E-03 ppm1      4.093 ppm2      2.213 CV     1
 OR { 2217}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "C   " and resid 1897  and name HG2 ))
 ASSI { 2219}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "C   " and resid 1898  and name HB3 ))
      4.000     2.000     2.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.94854E-03 ppm1      4.093 ppm2      1.918 CV     1
 OR { 2219}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HB3 ))
 ASSI { 2224}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "C   " and resid 1927  and name HG3 ))
      4.100     2.100     1.900 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.79443E-03 ppm1      4.130 ppm2      1.605 CV     1
 OR { 2224}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 57   and name HG2 ))
 ASSI { 2230}
   (( segid "B   " and resid 54   and name HB1 ))
   (( segid "B   " and resid 53   and name H   ))
      3.600     1.600     1.600 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.31430E-02 ppm1      1.323 ppm2      8.351 CV     1
 OR { 2230}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "A   " and resid 53   and name H   ))
 OR { 2230}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 53   and name H   ))
 OR { 2230}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "A   " and resid 53   and name H   ))
 OR { 2230}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 53   and name H   ))
 OR { 2230}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "A   " and resid 53   and name H   ))
 ASSI { 2233}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1898  and name HA  ))
      3.800     1.800     1.800 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.77642E-03 ppm1      1.324 ppm2      4.349 CV     1
 OR { 2233}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1898  and name HA  ))
 OR { 2233}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1898  and name HA  ))
 OR { 2233}
   (( segid "B   " and resid 54   and name HB2 ))
   (( segid "B   " and resid 50   and name HB  ))
 OR { 2233}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 50   and name HB  ))
 ASSI { 2239}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1898  and name HG3 ))
      3.200     1.300     1.300 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.24927E-02 ppm1      1.321 ppm2      1.771 CV     1
 OR { 2239}
   (( segid "A   " and resid 54   and name HB1 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 OR { 2239}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1898  and name HG3 ))
 OR { 2239}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1898  and name HG3 ))
 OR { 2239}
   (( segid "A   " and resid 54   and name HB3 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 OR { 2239}
   (( segid "A   " and resid 54   and name HB2 ))
   (( segid "C   " and resid 1898  and name HG2 ))
 OR { 2239}
   (( segid "B   " and resid 54   and name HB3 ))
   (( segid "B   " and resid 57   and name HD3 ))
 ASSI { 2243}
   (( segid "B   " and resid 54   and name HB3 ))
   (  segid "C   " and resid 1926  and name HD1%)
      4.500     2.500     1.500 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.74110E-03 ppm1      1.327 ppm2      0.952 CV     1
 OR { 2243}
   (( segid "B   " and resid 54   and name HB2 ))
   (  segid "C   " and resid 1926  and name HD1%)
 OR { 2243}
   (( segid "B   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1926  and name HD1%)
 OR { 2243}
   (( segid "A   " and resid 54   and name HB1 ))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI { 2284}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 35   and name HD3 ))
      3.300     1.400     1.400 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      4.175 ppm2      1.384 CV     1
 OR { 2284}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 35   and name HD2 ))
 OR { 2284}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI { 2287}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 31   and name HD2 ))
      4.000     2.000     2.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.79573E-03 ppm1      4.176 ppm2      1.770 CV     1
 OR { 2287}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 91   and name HB3 ))
 OR { 2287}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 31   and name HD3 ))
 OR { 2287}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 87   and name HB3 ))
 ASSI { 2288}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 91   and name HG3 ))
      4.200     2.200     1.800 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.66958E-03 ppm1      4.175 ppm2      1.899 CV     1
 OR { 2288}
   (( segid "A   " and resid 90   and name HA  ))
   (( segid "A   " and resid 91   and name HB2 ))
 OR { 2288}
   (( segid "B   " and resid 90   and name HA  ))
   (( segid "B   " and resid 91   and name HB2 ))
 ASSI { 2292}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 53   and name HB2 ))
      3.900     1.900     1.900 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.17211E-02 ppm1      2.128 ppm2      1.521 CV     1
 OR { 2292}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 2292}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 53   and name HB3 ))
 OR { 2292}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 53   and name HB1 ))
 ASSI { 2293}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 51   and name HA  ))
      4.700     2.700     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.95396E-03 ppm1      2.165 ppm2      4.771 CV     1
 OR { 2293}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 51   and name HA  ))
 ASSI { 2322}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 52   and name HB2 ))
      4.600     2.600     1.400 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.81177E-03 ppm1      2.857 ppm2      2.155 CV     1
 OR { 2322}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 52   and name HB2 ))
 OR { 2322}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 52   and name HB3 ))
 ASSI { 2327}
   (( segid "A   " and resid 96   and name HE3 ))
   (( segid "A   " and resid 100  and name H   ))
      2.600     2.600     3.400 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.10914E-02 ppm1      3.041 ppm2      8.336 CV     1
 OR { 2327}
   (( segid "A   " and resid 96   and name HE2 ))
   (( segid "A   " and resid 100  and name H   ))
 OR { 2327}
   (( segid "A   " and resid 22   and name HE2 ))
   (( segid "A   " and resid 20   and name H   ))
 OR { 2327}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 20   and name H   ))
 ASSI { 2348}
   (( segid "A   " and resid 50   and name HG22))
   (( segid "A   " and resid 48   and name H   ))
      3.900     1.900     1.900 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.65874E-03 ppm1      1.170 ppm2      8.569 CV     1
 OR { 2348}
   (( segid "A   " and resid 50   and name HG23))
   (( segid "A   " and resid 48   and name H   ))
 OR { 2348}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 48   and name H   ))
 OR { 2348}
   (( segid "A   " and resid 50   and name HG21))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 2352}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 50   and name H   ))
      2.700     0.900     0.900 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.57463E-02 ppm1      1.030 ppm2      7.984 CV     1
 OR { 2352}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 50   and name H   ))
 OR { 2352}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 50   and name H   ))
 OR { 2352}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 51   and name H   ))
 OR { 2352}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 51   and name H   ))
 OR { 2352}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 51   and name H   ))
 ASSI { 2357}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 50   and name H   ))
      3.400     1.400     1.400 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      4.352 ppm2      7.982 CV     1
 OR { 2357}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 51   and name H   ))
 OR { 2357}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 55   and name H   ))
 ASSI { 2362}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 46   and name HB2 ))
      2.600     2.600     3.400 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.27919E-02 ppm1      1.026 ppm2      1.841 CV     1
 OR { 2362}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 46   and name HB2 ))
 OR { 2362}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "C   " and resid 1926  and name HB2 ))
 OR { 2362}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "C   " and resid 1926  and name HB2 ))
 OR { 2362}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "C   " and resid 1926  and name HB2 ))
 ASSI { 2364}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 35   and name HD2 ))
      3.400     1.400     1.400 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.53366E-02 ppm1      1.030 ppm2      1.329 CV     1
 OR { 2364}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 35   and name HD2 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 35   and name HD2 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 54   and name HB3 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 54   and name HB1 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 54   and name HB3 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2364}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 2365}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 46   and name HB3 ))
      2.900     1.100     1.100 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.21104E-02 ppm1      1.028 ppm2      1.708 CV     1
 OR { 2365}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 46   and name HB3 ))
 OR { 2365}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2365}
   (( segid "B   " and resid 50   and name HG23))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2365}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 46   and name HB3 ))
 OR { 2365}
   (( segid "B   " and resid 50   and name HG21))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2365}
   (( segid "B   " and resid 50   and name HG22))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI { 2368}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 35   and name HD2 ))
      3.400     1.400     1.400 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.81394E-03 ppm1      4.353 ppm2      1.328 CV     1
 OR { 2368}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2368}
   (( segid "B   " and resid 50   and name HB  ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 2395}
   (( segid "B   " and resid 49   and name HG3 ))
   (( segid "B   " and resid 35   and name HD2 ))
      3.800     1.800     1.800 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.93814E-03 ppm1      1.649 ppm2      1.318 CV     1
 OR { 2395}
   (( segid "B   " and resid 49   and name HG3 ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2395}
   (( segid "B   " and resid 49   and name HG3 ))
   (( segid "B   " and resid 54   and name HB1 ))
 OR { 2395}
   (( segid "B   " and resid 49   and name HG3 ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 2397}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 35   and name HD2 ))
      3.800     1.800     1.800 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      3.236 ppm2      1.318 CV     1
 OR { 2397}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 35   and name HD2 ))
 OR { 2397}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2397}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 2397}
   (( segid "B   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 54   and name HB3 ))
 OR { 2397}
   (( segid "B   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 2442}
   (( segid "B   " and resid 7    and name HD3 ))
   (( segid "B   " and resid 7    and name H   ))
      4.100     2.100     1.900 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.10420E-02 ppm1      1.798 ppm2      8.251 CV     1
 OR { 2442}
   (( segid "B   " and resid 7    and name HD2 ))
   (( segid "B   " and resid 7    and name H   ))
 OR { 2442}
   (( segid "B   " and resid 7    and name HD3 ))
   (( segid "B   " and resid 8    and name H   ))
 OR { 2442}
   (( segid "B   " and resid 7    and name HD2 ))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 2452}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB3 ))
      2.600     0.800     0.800 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.49876E-02 ppm1      4.289 ppm2      1.687 CV     1
 OR { 2452}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 2452}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 2452}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 2452}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 2452}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HB1 ))
 ASSI { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD21))
      2.400     0.700     0.700 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.45346E-02 ppm1      4.288 ppm2      1.060 CV     1
 OR { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 2456}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HD13))
 OR { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD12))
 OR { 2456}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HD11))
 ASSI { 2458}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 11   and name HG13))
      4.000     2.000     2.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.87854E-03 ppm1      4.291 ppm2      1.253 CV     1
 OR { 2458}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 2458}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 2458}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 2458}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 2458}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 2460}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 11   and name HB  ))
      3.300     1.400     1.400 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.93533E-03 ppm1      4.286 ppm2      2.387 CV     1
 OR { 2460}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "B   " and resid 11   and name HB  ))
 OR { 2460}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI { 2461}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      4.293 ppm2      2.174 CV     1
 OR { 2461}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 2461}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2461}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 4    and name HB3 ))
 ASSI { 2485}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 45   and name H   ))
      4.400     2.500     1.600 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.85578E-03 ppm1      1.819 ppm2      7.945 CV     1
 OR { 2485}
   (( segid "A   " and resid 46   and name HB3 ))
   (( segid "A   " and resid 45   and name H   ))
 OR { 2485}
   (( segid "A   " and resid 46   and name HB2 ))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2489}
   (( segid "A   " and resid 46   and name HG  ))
   (( segid "A   " and resid 45   and name H   ))
      4.100     2.100     1.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.69861E-03 ppm1      1.936 ppm2      7.945 CV     1
 OR { 2489}
   (( segid "A   " and resid 46   and name HG  ))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2510}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.20594E-02 ppm1      0.977 ppm2      4.242 CV     1
 OR { 2510}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 48   and name HA  ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 48   and name HA  ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "A   " and resid 47   and name HA2 ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "A   " and resid 47   and name HA2 ))
 OR { 2510}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "A   " and resid 47   and name HA2 ))
 ASSI { 2520}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1900  and name HG  ))
      3.000     1.100     1.100 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.31842E-02 ppm1      0.977 ppm2      2.151 CV     1
 OR { 2520}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1900  and name HG  ))
 OR { 2520}
   (( segid "A   " and resid 46   and name HD21))
   (( segid "C   " and resid 1900  and name HG  ))
 OR { 2520}
   (( segid "A   " and resid 46   and name HD22))
   (( segid "C   " and resid 1897  and name HG3 ))
 OR { 2520}
   (( segid "A   " and resid 46   and name HD23))
   (( segid "C   " and resid 1897  and name HG3 ))
 ASSI { 2523}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name HG21))
      2.200     0.600     0.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.13207E-01 ppm1      1.055 ppm2      1.354 CV     1
 OR { 2523}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD11))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD12))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2523}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2523}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 39   and name HG21))
 ASSI { 2569}
   (( segid "B   " and resid 46   and name HD21))
   (  segid "C   " and resid 1928  and name HD% )
      2.600     0.900     0.900 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.10537E-01 ppm1      0.961 ppm2      7.299 CV     1
 OR { 2569}
   (( segid "B   " and resid 46   and name HD22))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2569}
   (( segid "B   " and resid 46   and name HD22))
   (  segid "B   " and resid 45   and name HD% )
 OR { 2569}
   (( segid "B   " and resid 46   and name HD23))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI { 2570}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 45   and name H   ))
      4.500     2.500     1.500 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.80657E-03 ppm1      1.066 ppm2      8.033 CV     1
 OR { 2570}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 45   and name H   ))
 OR { 2570}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 45   and name H   ))
 OR { 2570}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 35   and name H   ))
 ASSI { 2571}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 39   and name H   ))
      2.900     1.100     1.100 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.23171E-02 ppm1      1.064 ppm2      7.959 CV     1
 OR { 2571}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 51   and name H   ))
 OR { 2571}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 51   and name H   ))
 OR { 2571}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 51   and name H   ))
 ASSI { 2572}
   (( segid "B   " and resid 46   and name HD13))
   (( segid "B   " and resid 46   and name H   ))
      3.500     1.500     1.500 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.45475E-02 ppm1      1.067 ppm2      7.312 CV     1
 OR { 2572}
   (( segid "B   " and resid 46   and name HD12))
   (( segid "B   " and resid 46   and name H   ))
 OR { 2572}
   (( segid "B   " and resid 46   and name HD11))
   (( segid "B   " and resid 46   and name H   ))
 OR { 2572}
   (( segid "B   " and resid 46   and name HD11))
   (  segid "C   " and resid 1928  and name HD% )
 OR { 2572}
   (( segid "B   " and resid 46   and name HD13))
   (  segid "C   " and resid 1928  and name HD% )
 ASSI { 2575}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "C   " and resid 1900  and name HD1%)
      3.600     1.700     1.700 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      3.397 ppm2      0.959 CV     1
 OR { 2575}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 46   and name HD23))
 OR { 2575}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 46   and name HD22))
 ASSI { 2576}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "C   " and resid 1900  and name HD1%)
      4.600     2.600     1.400 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.69580E-03 ppm1      4.472 ppm2      0.966 CV     1
 OR { 2576}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 46   and name HD23))
 OR { 2576}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 46   and name HD22))
 ASSI { 2628}
   (( segid "B   " and resid 43   and name HD2 ))
   (( segid "B   " and resid 43   and name HD3 ))
      2.000     0.500     0.500 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.37284E-02 ppm1      3.745 ppm2      3.222 CV     1
 OR { 2628}
   (( segid "A   " and resid 43   and name HD2 ))
   (( segid "A   " and resid 43   and name HD3 ))
 ASSI { 2630}
   (( segid "B   " and resid 43   and name HD2 ))
   (( segid "B   " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.93814E-03 ppm1      3.741 ppm2      5.501 CV     1
 OR { 2630}
   (( segid "A   " and resid 43   and name HD2 ))
   (( segid "A   " and resid 42   and name HA  ))
 ASSI { 2653}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 29   and name HD22))
      3.800     1.800     1.800 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.16526E-02 ppm1      0.874 ppm2      0.289 CV     1
 OR { 2653}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 29   and name HD23))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 29   and name HD22))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 29   and name HD21))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 29   and name HD23))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 29   and name HD21))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 29   and name HD22))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 29   and name HD21))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 29   and name HD23))
 OR { 2653}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 62   and name HD21))
 ASSI { 2660}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 38   and name HB3 ))
      2.900     1.100     1.100 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.76299E-02 ppm1      0.873 ppm2      1.681 CV     1
 OR { 2660}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 2660}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2660}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 2660}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2660}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 37   and name HB2 ))
 ASSI { 2665}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 41   and name HB3 ))
      2.400     0.700     0.700 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.65722E-02 ppm1      0.872 ppm2      2.172 CV     1
 OR { 2665}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2665}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2665}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 40   and name HB2 ))
 OR { 2665}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 40   and name HB2 ))
 ASSI { 2667}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.57550E-02 ppm1      0.873 ppm2      2.603 CV     1
 OR { 2667}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 41   and name HG2 ))
 OR { 2667}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 41   and name HG2 ))
 OR { 2667}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 41   and name HG2 ))
 ASSI { 2669}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 5    and name HB3 ))
      4.100     2.100     1.900 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.93685E-03 ppm1      0.706 ppm2      1.671 CV     1
 OR { 2669}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "B   " and resid 5    and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "B   " and resid 5    and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 38   and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 2669}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "B   " and resid 8    and name HB3 ))
 ASSI { 2673}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 9    and name HB2 ))
      4.000     2.000     2.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      0.707 ppm2      2.175 CV     1
 OR { 2673}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 2673}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 85   and name HE3 ))
 ASSI { 2674}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 41   and name HB2 ))
      4.600     2.700     1.400 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.87050E-03 ppm1      0.707 ppm2      2.403 CV     1
 OR { 2674}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 2674}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 2674}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 2674}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 2674}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI { 2675}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 3    and name HB3 ))
      4.300     2.300     1.700 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.95005E-03 ppm1      0.871 ppm2      2.947 CV     1
 OR { 2675}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 3    and name HB3 ))
 OR { 2675}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 2675}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 3    and name HB3 ))
 ASSI { 2682}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 6    and name HA  ))
      3.300     1.300     1.300 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      0.869 ppm2      4.068 CV     1
 OR { 2682}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 2682}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 2682}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 2687}
   (( segid "A   " and resid 37   and name HD23))
   (  segid "A   " and resid 75   and name HD% )
      3.600     1.600     1.600 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.23648E-02 ppm1      0.873 ppm2      6.926 CV     1
 OR { 2687}
   (( segid "A   " and resid 37   and name HD22))
   (  segid "A   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "A   " and resid 37   and name HD13))
   (  segid "A   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD23))
   (  segid "B   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "A   " and resid 37   and name HD21))
   (  segid "A   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "A   " and resid 37   and name HD11))
   (  segid "A   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD22))
   (  segid "B   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "A   " and resid 37   and name HD12))
   (  segid "A   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD21))
   (  segid "B   " and resid 75   and name HD% )
 OR { 2687}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 2689}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 6    and name H   ))
      3.500     1.500     1.500 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      0.871 ppm2      7.097 CV     1
 OR { 2689}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 6    and name H   ))
 OR { 2689}
   (( segid "A   " and resid 42   and name HD13))
   (  segid "A   " and resid 78   and name HD% )
 OR { 2689}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 2693}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 39   and name H   ))
      3.000     1.100     1.100 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.50547E-02 ppm1      0.873 ppm2      7.946 CV     1
 OR { 2693}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2693}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2693}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 45   and name H   ))
 OR { 2693}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 45   and name H   ))
 ASSI { 2694}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 7    and name H   ))
      4.400     2.500     1.600 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.82607E-03 ppm1      0.869 ppm2      8.246 CV     1
 OR { 2694}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 8    and name H   ))
 OR { 2694}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "B   " and resid 8    and name H   ))
 OR { 2694}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "B   " and resid 7    and name H   ))
 OR { 2694}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "B   " and resid 7    and name H   ))
 ASSI { 2695}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 41   and name H   ))
      2.500     0.800     0.800 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.58438E-02 ppm1      0.874 ppm2      8.567 CV     1
 OR { 2695}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 38   and name H   ))
 OR { 2695}
   (( segid "A   " and resid 42   and name HD12))
   (( segid "A   " and resid 41   and name H   ))
 OR { 2695}
   (( segid "A   " and resid 42   and name HD13))
   (( segid "A   " and resid 41   and name H   ))
 OR { 2695}
   (( segid "A   " and resid 42   and name HD11))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 2698}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 45   and name H   ))
      4.800     2.900     1.200 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.51306E-03 ppm1      0.709 ppm2      7.941 CV     1
 OR { 2698}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "A   " and resid 45   and name H   ))
 OR { 2698}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 45   and name H   ))
 OR { 2698}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "A   " and resid 39   and name H   ))
 OR { 2698}
   (( segid "A   " and resid 42   and name HD21))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 2701}
   (( segid "A   " and resid 42   and name HD23))
   (  segid "A   " and resid 78   and name HD% )
      3.900     1.900     1.900 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      0.706 ppm2      7.102 CV     1
 OR { 2701}
   (( segid "A   " and resid 42   and name HD22))
   (  segid "A   " and resid 78   and name HD% )
 OR { 2701}
   (( segid "A   " and resid 42   and name HD21))
   (  segid "A   " and resid 78   and name HD% )
 OR { 2701}
   (( segid "A   " and resid 42   and name HD22))
   (( segid "B   " and resid 6    and name H   ))
 OR { 2701}
   (( segid "A   " and resid 42   and name HD23))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 2712}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.11334E-02 ppm1      5.518 ppm2      2.069 CV     1
 OR { 2712}
   (( segid "B   " and resid 42   and name HA  ))
   (( segid "B   " and resid 43   and name HG3 ))
 ASSI { 2715}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 79   and name HD22))
      3.400     1.500     1.500 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.33381E-02 ppm1      0.778 ppm2      0.470 CV     1
 OR { 2715}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 82   and name HG13))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 79   and name HD22))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 79   and name HD22))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 82   and name HG13))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 79   and name HD23))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 82   and name HG13))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 79   and name HD23))
 OR { 2715}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 79   and name HD23))
 ASSI { 2716}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 82   and name HG13))
      2.800     1.000     1.000 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.39709E-02 ppm1      0.683 ppm2      0.463 CV     1
 OR { 2716}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 82   and name HG13))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 82   and name HG13))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 79   and name HD22))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 79   and name HD22))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 79   and name HD22))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 79   and name HD21))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 79   and name HD23))
 OR { 2716}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 79   and name HD23))
 ASSI { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD12))
      2.400     0.700     0.700 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.97695E-02 ppm1      0.778 ppm2      1.044 CV     1
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HD12))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HD12))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD11))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD23))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD12))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD22))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "A   " and resid 5    and name HD21))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2721}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 38   and name HD22))
 ASSI { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "A   " and resid 5    and name HD12))
      2.300     0.700     0.700 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.11644E-01 ppm1      0.684 ppm2      1.040 CV     1
 OR { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "A   " and resid 5    and name HD12))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "A   " and resid 5    and name HD12))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "A   " and resid 5    and name HD11))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "A   " and resid 5    and name HD13))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 38   and name HD23))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 38   and name HD22))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD11))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD13))
 OR { 2722}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name HD12))
 ASSI { 2737}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 45   and name HB3 ))
      5.800     4.100     0.200 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.65896E-03 ppm1      0.782 ppm2      3.099 CV     1
 OR { 2737}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 2737}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 45   and name HB3 ))
 OR { 2737}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 45   and name HB3 ))
 ASSI { 2747}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 45   and name HZ  ))
      5.200     3.400     0.800 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.65593E-03 ppm1      0.778 ppm2      7.200 CV     1
 OR { 2747}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 45   and name HZ  ))
 OR { 2747}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 45   and name HZ  ))
 OR { 2747}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "C   " and resid 1928  and name HZ  ))
 ASSI { 2750}
   (( segid "B   " and resid 42   and name HD11))
   (( segid "B   " and resid 41   and name H   ))
      3.500     1.600     1.600 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.63055E-03 ppm1      0.781 ppm2      8.513 CV     1
 OR { 2750}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2750}
   (( segid "B   " and resid 42   and name HD12))
   (( segid "B   " and resid 41   and name H   ))
 OR { 2750}
   (( segid "B   " and resid 42   and name HD13))
   (( segid "B   " and resid 41   and name H   ))
 ASSI { 2751}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 38   and name H   ))
      2.800     2.800     3.200 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.67281E-03 ppm1      0.682 ppm2      8.521 CV     1
 OR { 2751}
   (( segid "B   " and resid 42   and name HD21))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2751}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 38   and name H   ))
 OR { 2751}
   (( segid "B   " and resid 42   and name HD23))
   (( segid "B   " and resid 41   and name H   ))
 OR { 2751}
   (( segid "B   " and resid 42   and name HD22))
   (( segid "B   " and resid 41   and name H   ))
 ASSI { 2760}
   (( segid "B   " and resid 41   and name HA  ))
   (( segid "B   " and resid 42   and name HG  ))
      4.300     2.300     1.700 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.69754E-03 ppm1      4.934 ppm2      1.522 CV     1
 OR { 2760}
   (( segid "B   " and resid 41   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR { 2760}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 15   and name HG21))
 OR { 2760}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 15   and name HG23))
 OR { 2760}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 15   and name HG22))
 ASSI { 2761}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 42   and name HD11))
      4.200     2.200     1.800 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.69690E-03 ppm1      4.937 ppm2      0.876 CV     1
 OR { 2761}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2761}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2761}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 2761}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 37   and name HD22))
 ASSI { 2785}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 39   and name HG23))
      2.500     2.500     3.500 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      1.997 ppm2      1.359 CV     1
 OR { 2785}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 39   and name HG22))
 OR { 2785}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 39   and name HG21))
 OR { 2785}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 39   and name HG23))
 ASSI { 2786}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 39   and name HG23))
      2.500     2.500     3.500 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      1.839 ppm2      1.355 CV     1
 OR { 2786}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2786}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2786}
   (( segid "B   " and resid 40   and name HG3 ))
   (( segid "B   " and resid 18   and name HG2 ))
 ASSI { 2788}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name HG2 ))
      1.500     0.300     0.700 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.14341E-01 ppm1      2.002 ppm2      1.837 CV     1
 OR { 2788}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 40   and name HG3 ))
 ASSI { 2789}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 36   and name HG2 ))
      2.900     1.100     1.100 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.16944E-02 ppm1      2.002 ppm2      2.497 CV     1
 OR { 2789}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 36   and name HG2 ))
 ASSI { 2790}
   (( segid "B   " and resid 40   and name HG2 ))
   (( segid "B   " and resid 36   and name HG3 ))
      4.100     2.100     1.900 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.11655E-02 ppm1      2.000 ppm2      2.430 CV     1
 OR { 2790}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 36   and name HG3 ))
 OR { 2790}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI { 2792}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 36   and name HG3 ))
      4.300     2.300     1.700 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.88006E-03 ppm1      1.839 ppm2      2.434 CV     1
 OR { 2792}
   (( segid "B   " and resid 40   and name HG3 ))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 2792}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI { 2793}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 39   and name HG22))
      2.400     2.400     3.600 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.17779E-02 ppm1      3.400 ppm2      1.354 CV     1
 OR { 2793}
   (( segid "B   " and resid 40   and name HD2 ))
   (( segid "B   " and resid 39   and name HG22))
 OR { 2793}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 39   and name HG21))
 OR { 2793}
   (( segid "B   " and resid 40   and name HD2 ))
   (( segid "B   " and resid 39   and name HG21))
 OR { 2793}
   (( segid "A   " and resid 40   and name HD2 ))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2793}
   (( segid "B   " and resid 40   and name HD2 ))
   (( segid "B   " and resid 39   and name HG23))
 OR { 2793}
   (( segid "A   " and resid 40   and name HD3 ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 2793}
   (( segid "B   " and resid 40   and name HD3 ))
   (( segid "B   " and resid 39   and name HG22))
 OR { 2793}
   (( segid "A   " and resid 40   and name HD3 ))
   (( segid "A   " and resid 39   and name HG23))
 OR { 2793}
   (( segid "B   " and resid 40   and name HD3 ))
   (( segid "B   " and resid 39   and name HG23))
 ASSI { 2794}
   (( segid "A   " and resid 40   and name HG3 ))
   (  segid "A   " and resid 19   and name HE% )
      3.100     1.200     1.200 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.11748E-02 ppm1      2.003 ppm2      6.849 CV     1
 OR { 2794}
   (( segid "B   " and resid 40   and name HG2 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 2795}
   (( segid "B   " and resid 40   and name HG3 ))
   (  segid "B   " and resid 19   and name HE% )
      3.400     1.400     1.400 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.68105E-03 ppm1      1.830 ppm2      6.845 CV     1
 OR { 2795}
   (( segid "A   " and resid 40   and name HG2 ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 2807}
   (( segid "A   " and resid 40   and name HD3 ))
   (  segid "A   " and resid 19   and name HD% )
      2.600     2.600     3.400 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.89956E-03 ppm1      3.395 ppm2      7.410 CV     1
 OR { 2807}
   (( segid "B   " and resid 40   and name HD3 ))
   (  segid "B   " and resid 19   and name HD% )
 OR { 2807}
   (( segid "A   " and resid 40   and name HD2 ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 2808}
   (( segid "A   " and resid 40   and name HD3 ))
   (  segid "A   " and resid 19   and name HE% )
      2.900     1.100     1.100 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.47968E-02 ppm1      3.397 ppm2      6.850 CV     1
 OR { 2808}
   (( segid "B   " and resid 40   and name HD3 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 2826}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HD12))
      2.200     0.600     0.600 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.14144E-01 ppm1      1.357 ppm2      1.056 CV     1
 OR { 2826}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HD11))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HD11))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HD13))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HD11))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HD12))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HD12))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HD13))
 OR { 2826}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HD13))
 OR { 2826}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 46   and name HD12))
 OR { 2826}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 46   and name HD12))
 ASSI { 2831}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 38   and name HB2 ))
      3.400     1.400     1.400 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      1.354 ppm2      1.894 CV     1
 OR { 2831}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 2831}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 2831}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 2831}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 2831}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 2831}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 49   and name HB2 ))
 OR { 2831}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 49   and name HB2 ))
 OR { 2831}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI { 2832}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HB3 ))
      3.500     1.500     1.500 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.29913E-02 ppm1      1.355 ppm2      1.839 CV     1
 OR { 2832}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2832}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HB3 ))
 OR { 2832}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2832}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2832}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HB2 ))
 OR { 2832}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HG3 ))
 OR { 2832}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HG3 ))
 ASSI { 2833}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 38   and name HB3 ))
      3.000     1.100     1.100 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.48620E-02 ppm1      1.359 ppm2      1.999 CV     1
 OR { 2833}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 38   and name HB3 ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 38   and name HB3 ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HG2 ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HG2 ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HG2 ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 46   and name HG  ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 46   and name HG  ))
 OR { 2833}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 46   and name HG  ))
 ASSI { 2834}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 36   and name HB3 ))
      3.300     1.300     1.300 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.18784E-02 ppm1      1.357 ppm2      2.198 CV     1
 OR { 2834}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 2834}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 2834}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HB2 ))
 OR { 2834}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HB2 ))
 OR { 2834}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HB2 ))
 ASSI { 2835}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 36   and name HG3 ))
      4.300     2.300     1.700 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.90434E-03 ppm1      1.356 ppm2      2.428 CV     1
 OR { 2835}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 36   and name HG3 ))
 OR { 2835}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 36   and name HG3 ))
 OR { 2835}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 43   and name HB2 ))
 OR { 2835}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 43   and name HB2 ))
 OR { 2835}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 43   and name HB2 ))
 ASSI { 2842}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 40   and name HA  ))
      3.500     1.600     1.600 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.25339E-02 ppm1      1.354 ppm2      4.431 CV     1
 OR { 2842}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 40   and name HA  ))
 OR { 2842}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HA  ))
 OR { 2842}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 40   and name HA  ))
 OR { 2842}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 40   and name HA  ))
 OR { 2842}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 40   and name HA  ))
 OR { 2842}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 50   and name HA  ))
 ASSI { 2846}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 50   and name HB  ))
      4.100     2.100     1.900 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      1.357 ppm2      4.342 CV     1
 OR { 2846}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 50   and name HB  ))
 OR { 2846}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 50   and name HB  ))
 OR { 2846}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 43   and name HA  ))
 OR { 2846}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI { 2847}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 50   and name HB  ))
      3.500     1.500     1.500 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.24147E-02 ppm1      1.353 ppm2      4.464 CV     1
 OR { 2847}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2847}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2847}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 40   and name HA  ))
 OR { 2847}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2847}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2847}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 46   and name HA  ))
 ASSI { 2853}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 38   and name H   ))
      4.400     2.500     1.600 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.66784E-03 ppm1      3.901 ppm2      8.569 CV     1
 OR { 2853}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 41   and name H   ))
 OR { 2853}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 48   and name H   ))
 ASSI { 2856}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 38   and name H   ))
      3.700     1.700     1.700 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.18667E-02 ppm1      1.353 ppm2      8.563 CV     1
 OR { 2856}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 38   and name H   ))
 OR { 2856}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 38   and name H   ))
 OR { 2856}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 48   and name H   ))
 OR { 2856}
   (( segid "A   " and resid 39   and name HG22))
   (( segid "A   " and resid 48   and name H   ))
 OR { 2856}
   (( segid "A   " and resid 39   and name HG23))
   (( segid "A   " and resid 48   and name H   ))
 OR { 2856}
   (( segid "A   " and resid 39   and name HG21))
   (( segid "A   " and resid 47   and name H   ))
 ASSI { 2872}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 43   and name HB3 ))
      3.600     1.700     1.700 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.89630E-03 ppm1      3.979 ppm2      2.002 CV     1
 OR { 2872}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 38   and name HB3 ))
 OR { 2872}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 46   and name HG  ))
 OR { 2872}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 40   and name HG2 ))
 ASSI { 2874}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 38   and name HB2 ))
      3.500     1.500     1.500 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      1.363 ppm2      1.719 CV     1
 OR { 2874}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2874}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 38   and name HB2 ))
 OR { 2874}
   (( segid "B   " and resid 39   and name HG23))
   (( segid "B   " and resid 35   and name HB2 ))
 OR { 2874}
   (( segid "B   " and resid 39   and name HG22))
   (( segid "B   " and resid 35   and name HB2 ))
 OR { 2874}
   (( segid "B   " and resid 39   and name HG21))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI { 2876}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 42   and name HD12))
      2.100     0.600     0.600 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.19868E-02 ppm1      3.807 ppm2      0.872 CV     1
 OR { 2876}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 42   and name HD11))
 OR { 2876}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2876}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 37   and name HD21))
 ASSI { 2890}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 42   and name HD12))
      3.000     1.200     1.200 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      1.903 ppm2      0.874 CV     1
 OR { 2890}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 2890}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2890}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 37   and name HD22))
 OR { 2890}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 42   and name HD11))
 ASSI { 2904}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 39   and name H   ))
      4.200     2.200     1.800 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.81436E-03 ppm1      1.900 ppm2      7.941 CV     1
 OR { 2904}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 37   and name H   ))
 OR { 2904}
   (( segid "A   " and resid 38   and name HG  ))
   (( segid "A   " and resid 45   and name H   ))
 ASSI { 2922}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 39   and name HA  ))
      4.500     2.600     1.500 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.83431E-03 ppm1      1.003 ppm2      3.893 CV     1
 OR { 2922}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2922}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2922}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 36   and name HA  ))
 ASSI { 2927}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 46   and name HA  ))
      4.100     2.100     1.900 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.90737E-03 ppm1      0.928 ppm2      4.468 CV     1
 OR { 2927}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2927}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 46   and name HA  ))
 OR { 2927}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 45   and name HA  ))
 OR { 2927}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2927}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 50   and name HB  ))
 OR { 2927}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 50   and name HB  ))
 ASSI { 2928}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 55   and name HA  ))
      4.200     2.200     1.800 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      0.927 ppm2      4.251 CV     1
 OR { 2928}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 55   and name HA  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 44   and name HA  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 39   and name HB  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 44   and name HA  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 47   and name HA2 ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 39   and name HB  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 39   and name HB  ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 47   and name HA2 ))
 OR { 2928}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 47   and name HA2 ))
 ASSI { 2930}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 39   and name HA  ))
      4.700     2.700     1.300 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.69796E-03 ppm1      0.930 ppm2      3.893 CV     1
 OR { 2930}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2930}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 39   and name HA  ))
 OR { 2930}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 59   and name HA  ))
 ASSI { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD12))
      3.100     1.200     1.200 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.51067E-02 ppm1      1.004 ppm2      0.867 CV     1
 OR { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 37   and name HD21))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 37   and name HD23))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD12))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 37   and name HD21))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 37   and name HD23))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 37   and name HD22))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 37   and name HD21))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 37   and name HD23))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 37   and name HD22))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 37   and name HD22))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HD12))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HD11))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD13))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HD11))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 42   and name HD11))
 OR { 2931}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HD11))
 ASSI { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HD21))
      2.200     0.600     0.600 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.97433E-02 ppm1      1.004 ppm2      0.786 CV     1
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HD22))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HD21))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 58   and name HD21))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 58   and name HD21))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 58   and name HD22))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HD21))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 58   and name HD22))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HD21))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HD22))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HD22))
 OR { 2932}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HD22))
 ASSI { 2934}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HB3 ))
      3.000     1.100     1.100 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.13836E-02 ppm1      1.008 ppm2      1.373 CV     1
 OR { 2934}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 2934}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 2934}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 2934}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 2936}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 34   and name HG  ))
      3.500     1.500     1.500 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.36545E-02 ppm1      1.004 ppm2      1.544 CV     1
 OR { 2936}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 2936}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 2936}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 2936}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 42   and name HG  ))
 ASSI { 2941}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 42   and name HG  ))
      3.200     1.300     1.300 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.65115E-02 ppm1      0.928 ppm2      1.542 CV     1
 OR { 2941}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 2941}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 2941}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 34   and name HG  ))
 ASSI { 2942}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 34   and name HB3 ))
      3.600     1.700     1.700 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.30065E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 2942}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 2942}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 2942}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 2942}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 58   and name HG  ))
 OR { 2942}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 2944}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 58   and name HD22))
      2.300     0.700     0.700 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.12381E-01 ppm1      0.928 ppm2      0.789 CV     1
 OR { 2944}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 58   and name HD21))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 58   and name HD22))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 58   and name HD21))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 58   and name HD22))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 58   and name HD23))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 58   and name HD21))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 34   and name HD23))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 34   and name HD23))
 OR { 2944}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 34   and name HD23))
 ASSI { 2947}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 62   and name HD21))
      3.800     1.800     1.800 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      1.005 ppm2      0.290 CV     1
 OR { 2947}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD13))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 29   and name HD23))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD11))
   (( segid "A   " and resid 29   and name HD22))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 29   and name HD23))
 OR { 2947}
   (( segid "A   " and resid 38   and name HD12))
   (( segid "A   " and resid 29   and name HD22))
 ASSI { 2949}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 62   and name HD21))
      4.100     2.100     1.900 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.97847E-03 ppm1      0.926 ppm2      0.286 CV     1
 OR { 2949}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 62   and name HD21))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 62   and name HD23))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD23))
   (( segid "A   " and resid 62   and name HD22))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD21))
   (( segid "A   " and resid 29   and name HD22))
 OR { 2949}
   (( segid "A   " and resid 38   and name HD22))
   (( segid "A   " and resid 29   and name HD22))
 ASSI { 2959}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 37   and name HD21))
      3.000     1.100     1.100 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.20707E-02 ppm1      2.068 ppm2      0.851 CV     1
 OR { 2959}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 37   and name HD23))
 OR { 2959}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 37   and name HD22))
 OR { 2959}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 34   and name HD23))
 OR { 2959}
   (( segid "B   " and resid 38   and name HG  ))
   (( segid "B   " and resid 34   and name HD21))
 ASSI { 2973}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 31   and name HA  ))
      4.500     2.600     1.500 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.64899E-03 ppm1      1.037 ppm2      4.092 CV     1
 OR { 2973}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 31   and name HA  ))
 OR { 2973}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 31   and name HA  ))
 OR { 2973}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 55   and name HA  ))
 OR { 2973}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 55   and name HA  ))
 ASSI { 2976}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 39   and name HA  ))
      4.200     2.200     1.800 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      1.040 ppm2      3.985 CV     1
 OR { 2976}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 39   and name HA  ))
 OR { 2976}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 39   and name HA  ))
 OR { 2976}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 2976}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 2985}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 35   and name H   ))
      3.900     1.900     1.900 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.12173E-02 ppm1      1.040 ppm2      8.011 CV     1
 OR { 2985}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 35   and name H   ))
 OR { 2985}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 35   and name H   ))
 OR { 2985}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 50   and name H   ))
 ASSI { 2986}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 35   and name H   ))
      4.900     3.000     1.100 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.62015E-03 ppm1      1.042 ppm2      8.025 CV     1
 OR { 2986}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 35   and name H   ))
 OR { 2986}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 35   and name H   ))
 OR { 2986}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1930  and name H   ))
 OR { 2986}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1930  and name H   ))
 ASSI { 3000}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 42   and name HB3 ))
      4.100     2.100     1.900 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.15305E-02 ppm1      1.039 ppm2      1.923 CV     1
 OR { 3000}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "C   " and resid 1927  and name HB2 ))
 OR { 3000}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "C   " and resid 1927  and name HB2 ))
 ASSI { 3002}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 42   and name HB3 ))
      2.800     1.000     1.000 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.040 ppm2      1.925 CV     1
 OR { 3002}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 3002}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 42   and name HB3 ))
 OR { 3002}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 3002}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "A   " and resid 9    and name HG  ))
 ASSI { 3005}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 82   and name HB  ))
      3.900     1.900     1.900 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.20583E-02 ppm1      1.039 ppm2      1.645 CV     1
 OR { 3005}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 82   and name HB  ))
 OR { 3005}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 82   and name HB  ))
 OR { 3005}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 34   and name HG  ))
 OR { 3005}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 34   and name HG  ))
 ASSI { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 58   and name HD22))
      2.500     0.800     0.800 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.15691E-01 ppm1      1.039 ppm2      0.850 CV     1
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 58   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 58   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 58   and name HD22))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 58   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 58   and name HD22))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 58   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 58   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 58   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 37   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 37   and name HD22))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3006}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 34   and name HD22))
 ASSI { 3011}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 82   and name HG13))
      3.900     1.900     1.900 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.11792E-02 ppm1      1.035 ppm2      0.459 CV     1
 OR { 3011}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "B   " and resid 82   and name HG13))
 OR { 3011}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "B   " and resid 82   and name HG13))
 OR { 3011}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 79   and name HD22))
 ASSI { 3013}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD12))
      2.900     1.100     1.100 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.47797E-02 ppm1      1.039 ppm2      0.900 CV     1
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD12))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD12))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HD12))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HD13))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 58   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 58   and name HD11))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 58   and name HD13))
 OR { 3013}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 58   and name HD12))
 ASSI { 3014}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD23))
      2.100     0.600     0.600 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.16107E-01 ppm1      1.039 ppm2      0.840 CV     1
 OR { 3014}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HD22))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD11))
   (( segid "B   " and resid 34   and name HD22))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 58   and name HD22))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 58   and name HD21))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD12))
   (( segid "B   " and resid 34   and name HD22))
 OR { 3014}
   (( segid "B   " and resid 38   and name HD13))
   (( segid "B   " and resid 34   and name HD22))
 ASSI { 3015}
   (( segid "B   " and resid 38   and name HD22))
   (( segid "C   " and resid 1928  and name HB2 ))
      3.500     1.500     1.500 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.87786E-03 ppm1      1.042 ppm2      3.090 CV     1
 OR { 3015}
   (( segid "B   " and resid 38   and name HD23))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 3015}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "C   " and resid 1928  and name HB2 ))
 OR { 3015}
   (( segid "B   " and resid 38   and name HD21))
   (( segid "B   " and resid 45   and name HB3 ))
 ASSI { 3017}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name H   ))
      3.500     1.500     1.500 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      2.594 ppm2      8.536 CV     1
 OR { 3017}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 3018}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name H   ))
      2.600     0.900     0.900 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.36177E-02 ppm1      2.596 ppm2      7.943 CV     1
 OR { 3018}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name H   ))
 ASSI { 3019}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 19   and name HD% )
      3.700     1.700     1.700 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.76234E-03 ppm1      2.597 ppm2      7.411 CV     1
 OR { 3019}
   (( segid "B   " and resid 37   and name HA  ))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3021}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 41   and name HB2 ))
      3.600     1.700     1.700 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.97346E-03 ppm1      2.597 ppm2      2.425 CV     1
 OR { 3021}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 3021}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 36   and name HG3 ))
 ASSI { 3022}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      2.597 ppm2      2.195 CV     1
 OR { 3022}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 40   and name HB2 ))
 OR { 3022}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3022}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3022}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
 ASSI { 3023}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 40   and name HG2 ))
      4.100     2.100     1.900 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.73567E-03 ppm1      2.597 ppm2      1.998 CV     1
 OR { 3023}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 40   and name HG3 ))
 OR { 3023}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 40   and name HB3 ))
 OR { 3023}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 40   and name HB3 ))
 ASSI { 3024}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      2.595 ppm2      1.689 CV     1
 OR { 3024}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HB2 ))
 ASSI { 3025}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 15   and name HG23))
      4.100     2.100     1.900 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.91473E-03 ppm1      2.596 ppm2      1.530 CV     1
 OR { 3025}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3025}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3025}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 15   and name HG22))
 OR { 3025}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3025}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 15   and name HG21))
 ASSI { 3026}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HG  ))
      2.400     0.700     0.700 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.29739E-02 ppm1      2.596 ppm2      1.312 CV     1
 OR { 3026}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HG  ))
 ASSI { 3028}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HD21))
      3.700     1.700     1.700 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.24602E-02 ppm1      2.594 ppm2      0.871 CV     1
 OR { 3028}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3028}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HD23))
 OR { 3028}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HD23))
 OR { 3028}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HD22))
 ASSI { 3029}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HB3 ))
      3.200     1.300     1.300 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.14707E-02 ppm1      2.596 ppm2      1.143 CV     1
 OR { 3029}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI { 3031}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 37   and name HD23))
      3.600     1.600     1.600 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.14724E-02 ppm1      1.675 ppm2      0.859 CV     1
 OR { 3031}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HD23))
 OR { 3031}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3031}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3031}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 37   and name HD22))
 ASSI { 3032}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HB3 ))
      2.300     0.700     0.700 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.87919E-03 ppm1      1.670 ppm2      1.149 CV     1
 OR { 3032}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 37   and name HB3 ))
 ASSI { 3033}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 37   and name HG  ))
      3.400     1.400     1.400 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.64030E-03 ppm1      1.671 ppm2      1.312 CV     1
 OR { 3033}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HG  ))
 ASSI { 3035}
   (( segid "B   " and resid 37   and name HB2 ))
   (( segid "B   " and resid 38   and name H   ))
      4.300     2.300     1.700 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.66090E-03 ppm1      1.670 ppm2      8.543 CV     1
 OR { 3035}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 38   and name H   ))
 ASSI { 3040}
   (( segid "B   " and resid 37   and name HG  ))
   (  segid "B   " and resid 19   and name HD% )
      4.000     2.000     2.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.58309E-03 ppm1      1.321 ppm2      7.412 CV     1
 OR { 3040}
   (( segid "A   " and resid 37   and name HG  ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 3041}
   (( segid "B   " and resid 37   and name HG  ))
   (  segid "B   " and resid 19   and name HE% )
      3.900     1.900     1.900 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.60369E-03 ppm1      1.313 ppm2      6.844 CV     1
 OR { 3041}
   (( segid "A   " and resid 37   and name HG  ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 3042}
   (( segid "B   " and resid 37   and name HG  ))
   (( segid "B   " and resid 37   and name H   ))
      4.600     2.600     1.400 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.64660E-03 ppm1      1.316 ppm2      7.946 CV     1
 OR { 3042}
   (( segid "A   " and resid 37   and name HG  ))
   (( segid "A   " and resid 37   and name H   ))
 ASSI { 3043}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 37   and name H   ))
      3.400     1.400     1.400 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.49617E-02 ppm1      0.912 ppm2      7.943 CV     1
 OR { 3043}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 37   and name H   ))
 OR { 3043}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3043}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 37   and name H   ))
 OR { 3043}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3043}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 37   and name H   ))
 ASSI { 3046}
   (( segid "A   " and resid 37   and name HD13))
   (  segid "A   " and resid 75   and name HD% )
      3.500     1.600     1.600 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.28331E-02 ppm1      0.912 ppm2      6.917 CV     1
 OR { 3046}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 75   and name HD% )
 OR { 3046}
   (( segid "A   " and resid 37   and name HD11))
   (  segid "A   " and resid 75   and name HD% )
 OR { 3046}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 75   and name HD% )
 OR { 3046}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 3047}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 19   and name HE% )
      2.800     1.000     1.000 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.51112E-02 ppm1      0.912 ppm2      6.851 CV     1
 OR { 3047}
   (( segid "A   " and resid 37   and name HD12))
   (  segid "A   " and resid 19   and name HE% )
 OR { 3047}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3047}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3052}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.36871E-02 ppm1      0.912 ppm2      2.938 CV     1
 OR { 3052}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 3052}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 19   and name HB2 ))
 OR { 3052}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 3052}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI { 3053}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 16   and name HB2 ))
      3.000     3.000     3.000 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.10452E-02 ppm1      0.913 ppm2      3.046 CV     1
 OR { 3053}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 3053}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 3053}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 3053}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 3053}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 3053}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "C   " and resid 1928  and name HB3 ))
 ASSI { 3054}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.60065E-02 ppm1      0.912 ppm2      2.600 CV     1
 OR { 3054}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 37   and name HA  ))
 OR { 3054}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 37   and name HA  ))
 OR { 3054}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 37   and name HA  ))
 OR { 3054}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 37   and name HA  ))
 ASSI { 3055}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 19   and name HB3 ))
      3.200     1.300     1.300 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.43199E-02 ppm1      0.912 ppm2      2.353 CV     1
 OR { 3055}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 19   and name HB3 ))
 OR { 3055}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 19   and name HB3 ))
 OR { 3055}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 19   and name HB3 ))
 OR { 3055}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 19   and name HB3 ))
 ASSI { 3056}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      0.914 ppm2      2.420 CV     1
 OR { 3056}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 3056}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 3056}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 3056}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 41   and name HB2 ))
 OR { 3056}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 3056}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 36   and name HG3 ))
 ASSI { 3057}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 36   and name HB3 ))
      3.900     1.900     1.900 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.31192E-02 ppm1      0.912 ppm2      2.196 CV     1
 OR { 3057}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 40   and name HB2 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3057}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3057}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 36   and name HB2 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 3057}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 36   and name HB2 ))
 OR { 3057}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3057}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 36   and name HB2 ))
 OR { 3057}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI { 3058}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD22))
      2.400     0.700     0.700 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.77926E-02 ppm1      0.911 ppm2      0.286 CV     1
 OR { 3058}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3058}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3058}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 29   and name HD21))
 ASSI { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD11))
      2.700     0.900     0.900 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.69147E-02 ppm1      0.909 ppm2      0.756 CV     1
 OR { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD12))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 29   and name HD11))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD11))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD12))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 29   and name HD12))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 34   and name HD22))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 29   and name HD13))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 34   and name HD21))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 29   and name HD13))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 34   and name HD23))
 OR { 3059}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 29   and name HD13))
 ASSI { 3062}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 37   and name HG  ))
      2.100     0.500     0.500 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.92600E-02 ppm1      0.913 ppm2      1.313 CV     1
 OR { 3062}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 37   and name HG  ))
 OR { 3062}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 37   and name HG  ))
 OR { 3062}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 37   and name HG  ))
 OR { 3062}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 37   and name HG  ))
 ASSI { 3063}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 15   and name HG23))
      2.300     0.600     0.600 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.10671E-01 ppm1      0.912 ppm2      1.528 CV     1
 OR { 3063}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 15   and name HG22))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 15   and name HG22))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 15   and name HG21))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 15   and name HG21))
 OR { 3063}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3063}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 15   and name HG22))
 ASSI { 3064}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 37   and name HB2 ))
      2.200     0.600     0.600 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.59458E-02 ppm1      0.912 ppm2      1.680 CV     1
 OR { 3064}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 3064}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 37   and name HB2 ))
 OR { 3064}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 3064}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 37   and name HB2 ))
 ASSI { 3066}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 15   and name HB  ))
      3.100     1.200     1.200 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.24342E-02 ppm1      0.914 ppm2      3.982 CV     1
 OR { 3066}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 15   and name HB  ))
 OR { 3066}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 15   and name HB  ))
 OR { 3066}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3066}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI { 3067}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 19   and name HA  ))
      2.600     2.600     3.400 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.15804E-02 ppm1      0.912 ppm2      4.351 CV     1
 OR { 3067}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 19   and name HA  ))
 OR { 3067}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 19   and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 19   and name HA  ))
 OR { 3067}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 19   and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 19   and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 43   and name HA  ))
 OR { 3067}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI { 3068}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "A   " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.94463E-03 ppm1      0.913 ppm2      4.065 CV     1
 OR { 3068}
   (( segid "B   " and resid 37   and name HD11))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 3068}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 3068}
   (( segid "B   " and resid 37   and name HD13))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 3068}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 3068}
   (( segid "B   " and resid 37   and name HD12))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 3068}
   (( segid "A   " and resid 37   and name HD11))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 3068}
   (( segid "A   " and resid 37   and name HD13))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 3068}
   (( segid "A   " and resid 37   and name HD12))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD11))
      2.400     0.700     0.700 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.18108E-01 ppm1      0.855 ppm2      1.043 CV     1
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD12))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD12))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD11))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD11))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD13))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD12))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD13))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD13))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD22))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "A   " and resid 5    and name HD21))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD23))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD22))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD22))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "A   " and resid 5    and name HD21))
 OR { 3071}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "A   " and resid 5    and name HD21))
 ASSI { 3072}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 37   and name HG  ))
      2.100     0.600     0.600 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.86466E-02 ppm1      0.856 ppm2      1.327 CV     1
 OR { 3072}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name HG  ))
 OR { 3072}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 37   and name HG  ))
 OR { 3072}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 37   and name HG  ))
 OR { 3072}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 37   and name HG  ))
 ASSI { 3073}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 15   and name HG23))
      2.900     1.000     1.000 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.76515E-02 ppm1      0.861 ppm2      1.525 CV     1
 OR { 3073}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 15   and name HG21))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 15   and name HG22))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 15   and name HG22))
 OR { 3073}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 3073}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 42   and name HG  ))
 ASSI { 3074}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 29   and name HD22))
      3.700     1.800     1.800 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      0.855 ppm2      0.276 CV     1
 OR { 3074}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3074}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3074}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3074}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3074}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3074}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3074}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 29   and name HD21))
 ASSI { 3075}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 79   and name HD21))
      3.200     1.200     1.200 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.25253E-02 ppm1      0.860 ppm2      0.455 CV     1
 OR { 3075}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 79   and name HD21))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 79   and name HD21))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 79   and name HD23))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 79   and name HD23))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 79   and name HD23))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 79   and name HD22))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 79   and name HD12))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 79   and name HD12))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 79   and name HD13))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 79   and name HD12))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 79   and name HD21))
 OR { 3075}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 79   and name HD23))
 ASSI { 3076}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 38   and name HG  ))
      2.900     1.100     1.100 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.36199E-02 ppm1      0.858 ppm2      2.074 CV     1
 OR { 3076}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 38   and name HG  ))
 OR { 3076}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 38   and name HG  ))
 OR { 3076}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 42   and name HB2 ))
 OR { 3076}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 42   and name HB2 ))
 ASSI { 3078}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.17941E-02 ppm1      0.858 ppm2      3.980 CV     1
 OR { 3078}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3078}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 34   and name HA  ))
 OR { 3078}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 34   and name HA  ))
 OR { 3078}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 3080}
   (( segid "B   " and resid 37   and name HD22))
   (  segid "B   " and resid 19   and name HE% )
      3.800     1.800     1.800 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.19766E-02 ppm1      0.858 ppm2      6.858 CV     1
 OR { 3080}
   (( segid "A   " and resid 37   and name HD22))
   (  segid "A   " and resid 19   and name HE% )
 OR { 3080}
   (( segid "B   " and resid 37   and name HD21))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3080}
   (( segid "A   " and resid 37   and name HD21))
   (  segid "A   " and resid 19   and name HE% )
 OR { 3080}
   (( segid "B   " and resid 37   and name HD23))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3081}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name H   ))
      3.600     1.600     1.600 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.40945E-02 ppm1      0.861 ppm2      7.940 CV     1
 OR { 3081}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 37   and name H   ))
 OR { 3081}
   (( segid "A   " and resid 37   and name HD23))
   (( segid "A   " and resid 37   and name H   ))
 OR { 3081}
   (( segid "B   " and resid 37   and name HD23))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3081}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 37   and name H   ))
 ASSI { 3087}
   (( segid "A   " and resid 37   and name HD13))
   (  segid "A   " and resid 16   and name HD% )
      3.900     1.900     1.900 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.96784E-03 ppm1      0.914 ppm2      5.627 CV     1
 OR { 3087}
   (( segid "B   " and resid 37   and name HD13))
   (  segid "B   " and resid 16   and name HD% )
 OR { 3087}
   (( segid "A   " and resid 37   and name HD11))
   (  segid "A   " and resid 16   and name HD% )
 OR { 3087}
   (( segid "B   " and resid 37   and name HD11))
   (  segid "B   " and resid 16   and name HD% )
 OR { 3087}
   (( segid "B   " and resid 37   and name HD12))
   (  segid "B   " and resid 16   and name HD% )
 ASSI { 3100}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 35   and name HG2 ))
      4.700     2.800     1.300 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      2.209 ppm2      0.901 CV     1
 OR { 3100}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 35   and name HG2 ))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 35   and name HG3 ))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3100}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name HD11))
 ASSI { 3101}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD23))
      4.500     2.500     1.500 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      2.212 ppm2      0.863 CV     1
 OR { 3101}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 42   and name HD12))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name HD23))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3101}
   (( segid "A   " and resid 36   and name HB3 ))
   (( segid "A   " and resid 42   and name HD13))
 ASSI { 3110}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 40   and name HD3 ))
      3.000     1.100     1.100 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.28331E-02 ppm1      2.502 ppm2      3.402 CV     1
 OR { 3110}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 40   and name HD3 ))
 OR { 3110}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 40   and name HD2 ))
 OR { 3110}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 40   and name HD2 ))
 ASSI { 3114}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.14597E-02 ppm1      2.498 ppm2      4.260 CV     1
 OR { 3114}
   (( segid "B   " and resid 88   and name HG3 ))
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 3117}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 39   and name HG23))
      4.500     2.500     1.500 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.96849E-03 ppm1      2.498 ppm2      1.359 CV     1
 OR { 3117}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 39   and name HG23))
 OR { 3117}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 39   and name HG22))
 OR { 3117}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 39   and name HG22))
 OR { 3117}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 39   and name HG21))
 OR { 3117}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 39   and name HG21))
 ASSI { 3119}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 40   and name HG2 ))
      3.000     1.200     1.200 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      2.502 ppm2      1.833 CV     1
 OR { 3119}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 40   and name HG3 ))
 ASSI { 3120}
   (( segid "A   " and resid 36   and name HG2 ))
   (  segid "A   " and resid 19   and name HE% )
      2.600     0.800     0.800 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.42485E-02 ppm1      2.500 ppm2      6.847 CV     1
 OR { 3120}
   (( segid "B   " and resid 36   and name HG2 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3121}
   (( segid "A   " and resid 36   and name HG2 ))
   (  segid "A   " and resid 19   and name HD% )
      3.700     1.700     1.700 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      2.500 ppm2      7.404 CV     1
 OR { 3121}
   (( segid "B   " and resid 36   and name HG2 ))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3122}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 37   and name H   ))
      4.000     2.000     2.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      2.502 ppm2      7.947 CV     1
 OR { 3122}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3122}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 39   and name H   ))
 OR { 3122}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 3123}
   (( segid "B   " and resid 36   and name HG2 ))
   (( segid "B   " and resid 36   and name H   ))
      3.700     1.700     1.700 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.43938E-02 ppm1      2.502 ppm2      7.848 CV     1
 OR { 3123}
   (( segid "A   " and resid 36   and name HG2 ))
   (( segid "A   " and resid 36   and name H   ))
 ASSI { 3127}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 37   and name H   ))
      4.500     2.500     1.500 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.93901E-03 ppm1      2.449 ppm2      7.941 CV     1
 OR { 3127}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 3128}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 37   and name H   ))
      4.500     2.500     1.500 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.99144E-03 ppm1      2.424 ppm2      7.948 CV     1
 OR { 3128}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 3132}
   (( segid "A   " and resid 36   and name HG3 ))
   (  segid "A   " and resid 19   and name HD% )
      4.800     2.800     1.200 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.11867E-02 ppm1      2.432 ppm2      7.405 CV     1
 OR { 3132}
   (( segid "B   " and resid 36   and name HG3 ))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3137}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 40   and name HG2 ))
      4.100     2.100     1.900 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.13151E-02 ppm1      2.433 ppm2      2.001 CV     1
 OR { 3137}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 40   and name HG3 ))
 OR { 3137}
   (( segid "B   " and resid 36   and name HG3 ))
   (( segid "B   " and resid 40   and name HB3 ))
 ASSI { 3138}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 35   and name HB3 ))
      4.500     2.500     1.500 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.60908E-03 ppm1      2.447 ppm2      1.363 CV     1
 OR { 3138}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 39   and name HG23))
 OR { 3138}
   (( segid "A   " and resid 36   and name HG3 ))
   (( segid "A   " and resid 39   and name HG22))
 ASSI { 3139}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 37   and name H   ))
      3.300     1.400     1.400 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      3.830 ppm2      7.949 CV     1
 OR { 3139}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 3161}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HG2 ))
      3.400     1.400     1.400 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.20523E-02 ppm1      3.456 ppm2      0.915 CV     1
 OR { 3161}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 38   and name HD23))
 ASSI { 3212}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HG2 ))
      3.900     1.900     1.900 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.73374E-03 ppm1      3.546 ppm2      1.337 CV     1
 OR { 3212}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 39   and name HG23))
 OR { 3212}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HD2 ))
 ASSI { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 37   and name HD23))
      3.600     1.600     1.600 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      3.962 ppm2      0.868 CV     1
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 42   and name HD12))
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 70   and name HG23))
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 70   and name HG22))
 OR { 3269}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 70   and name HG21))
 ASSI { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 37   and name HD13))
      4.300     2.300     1.700 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.13413E-02 ppm1      1.542 ppm2      0.924 CV     1
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 62   and name HD12))
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 62   and name HD11))
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 62   and name HD13))
 OR { 3281}
   (( segid "A   " and resid 34   and name HG  ))
   (( segid "A   " and resid 38   and name HD22))
 ASSI { 3286}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 78   and name HB3 ))
      4.500     2.500     1.500 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.88264E-03 ppm1      0.789 ppm2      3.455 CV     1
 OR { 3286}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 78   and name HB3 ))
 OR { 3286}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 78   and name HB3 ))
 OR { 3286}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 35   and name HA  ))
 OR { 3286}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 35   and name HA  ))
 ASSI { 3296}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      0.791 ppm2      2.213 CV     1
 OR { 3296}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3296}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3296}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3296}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3296}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3296}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 36   and name HB3 ))
 ASSI { 3297}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 29   and name HB2 ))
      3.600     1.600     1.600 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.18947E-02 ppm1      0.791 ppm2      2.154 CV     1
 OR { 3297}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 29   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 29   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD12))
   (( segid "A   " and resid 59   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 59   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 59   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD13))
   (( segid "A   " and resid 74   and name HB2 ))
 OR { 3297}
   (( segid "A   " and resid 34   and name HD11))
   (( segid "A   " and resid 74   and name HB2 ))
 ASSI { 3301}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 62   and name HD23))
      2.700     0.900     0.900 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.59458E-02 ppm1      0.769 ppm2      0.289 CV     1
 OR { 3301}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 62   and name HD21))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 62   and name HD23))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 62   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 62   and name HD21))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 62   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 62   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3301}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 29   and name HD23))
 ASSI { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD23))
      2.500     0.800     0.800 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.98886E-02 ppm1      0.769 ppm2      0.869 CV     1
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD23))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD23))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD21))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG23))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG23))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG21))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG21))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HG23))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HG22))
 OR { 3304}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HG21))
 ASSI { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD13))
      3.000     1.100     1.100 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.67520E-02 ppm1      0.769 ppm2      0.917 CV     1
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD22))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD21))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD22))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HD23))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD21))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HD23))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HD21))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HD22))
 OR { 3305}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HD23))
 ASSI { 3306}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HB  ))
      3.400     1.400     1.400 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.18221E-02 ppm1      0.767 ppm2      2.225 CV     1
 OR { 3306}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HB  ))
 OR { 3306}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HB  ))
 OR { 3306}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 3306}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 59   and name HB2 ))
      3.800     1.800     1.800 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.17193E-02 ppm1      0.769 ppm2      2.186 CV     1
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 59   and name HB2 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 59   and name HB2 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 85   and name HE1 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 85   and name HE3 ))
 OR { 3307}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 85   and name HE2 ))
 ASSI { 3309}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HG  ))
      3.000     1.200     1.200 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.52672E-02 ppm1      0.769 ppm2      1.901 CV     1
 OR { 3309}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3309}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 59   and name HE3 ))
 ASSI { 3314}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG11))
      3.100     1.200     1.200 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.41681E-02 ppm1      0.769 ppm2      1.187 CV     1
 OR { 3314}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 70   and name HG13))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG11))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 70   and name HG13))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name HG  ))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HG11))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 70   and name HG12))
 OR { 3314}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 29   and name HG  ))
 ASSI { 3315}
   (( segid "A   " and resid 34   and name HD23))
   (  segid "C   " and resid 1900  and name HD2%)
      4.400     2.400     1.600 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.93078E-03 ppm1      0.767 ppm2      1.104 CV     1
 OR { 3315}
   (( segid "A   " and resid 34   and name HD21))
   (  segid "C   " and resid 1900  and name HD2%)
 OR { 3315}
   (( segid "A   " and resid 34   and name HD22))
   (  segid "C   " and resid 1900  and name HD2%)
 OR { 3315}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 82   and name HG13))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "B   " and resid 5    and name HD23))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "B   " and resid 5    and name HD23))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 82   and name HG13))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "B   " and resid 5    and name HD22))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "B   " and resid 5    and name HD23))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "B   " and resid 5    and name HD22))
 OR { 3315}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 82   and name HG13))
 ASSI { 3316}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 29   and name HB3 ))
      3.700     1.700     1.700 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.13886E-02 ppm1      0.769 ppm2      1.255 CV     1
 OR { 3316}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 29   and name HB3 ))
 OR { 3316}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 29   and name HB3 ))
 OR { 3316}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 3325}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 36   and name H   ))
      4.700     2.700     1.300 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.63727E-03 ppm1      0.771 ppm2      7.857 CV     1
 OR { 3325}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 36   and name H   ))
 OR { 3325}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 36   and name H   ))
 OR { 3325}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 63   and name H   ))
 OR { 3325}
   (( segid "A   " and resid 34   and name HD23))
   (( segid "A   " and resid 63   and name H   ))
 ASSI { 3334}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HD12))
      3.800     1.800     1.800 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.16781E-02 ppm1      3.984 ppm2      0.912 CV     1
 OR { 3334}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3334}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3334}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3334}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 37   and name HD12))
 ASSI { 3346}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 59   and name HG2 ))
      4.200     2.200     1.800 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.12589E-02 ppm1      0.911 ppm2      2.604 CV     1
 OR { 3346}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 59   and name HG2 ))
 OR { 3346}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 59   and name HG2 ))
 OR { 3346}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 74   and name HG3 ))
 OR { 3346}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 74   and name HG3 ))
 OR { 3346}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 74   and name HG3 ))
 ASSI { 3357}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 38   and name HD11))
      3.300     1.400     1.400 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.25859E-02 ppm1      0.911 ppm2      1.040 CV     1
 OR { 3357}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 38   and name HD11))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 38   and name HD13))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 38   and name HD12))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 38   and name HD22))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 38   and name HD22))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD12))
   (( segid "B   " and resid 50   and name HG22))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD11))
   (( segid "B   " and resid 50   and name HG22))
 OR { 3357}
   (( segid "B   " and resid 34   and name HD13))
   (( segid "B   " and resid 50   and name HG22))
 ASSI { 3365}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 37   and name H   ))
      4.200     2.200     1.800 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.10166E-02 ppm1      0.856 ppm2      7.941 CV     1
 OR { 3365}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3365}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 37   and name H   ))
 OR { 3365}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 3373}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 70   and name HB  ))
      3.500     1.500     1.500 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.18680E-02 ppm1      0.851 ppm2      2.245 CV     1
 OR { 3373}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 70   and name HB  ))
 OR { 3373}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 70   and name HB  ))
 OR { 3373}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI { 3382}
   (( segid "B   " and resid 34   and name HD21))
   (( segid "B   " and resid 37   and name HA  ))
      4.600     2.600     1.400 peak  3382 spectrum    1 weight  0.10000E+01 volume  0.81284E-03 ppm1      0.855 ppm2      2.597 CV     1
 OR { 3382}
   (( segid "B   " and resid 34   and name HD22))
   (( segid "B   " and resid 37   and name HA  ))
 OR { 3382}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 37   and name HA  ))
 OR { 3382}
   (( segid "B   " and resid 34   and name HD23))
   (( segid "B   " and resid 59   and name HG2 ))
 ASSI { 3388}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 29   and name HD23))
      3.800     1.800     1.800 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.13144E-02 ppm1      4.071 ppm2      0.281 CV     1
 OR { 3388}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3388}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3388}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3388}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 3389}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 35   and name HG2 ))
      4.800     2.900     1.200 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.65028E-03 ppm1      4.072 ppm2      0.912 CV     1
 OR { 3389}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3389}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3389}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3389}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3389}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3389}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 37   and name HD11))
 OR { 3389}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3389}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 34   and name HD12))
 ASSI { 3391}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 33   and name HG3 ))
      3.300     1.400     1.400 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.28894E-02 ppm1      4.072 ppm2      2.425 CV     1
 OR { 3391}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI { 3392}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.43654E-02 ppm1      4.074 ppm2      2.207 CV     1
 OR { 3392}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 36   and name HB2 ))
 OR { 3392}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 36   and name HB3 ))
 OR { 3392}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 36   and name HB3 ))
 ASSI { 3393}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 36   and name H   ))
      3.200     1.200     1.200 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      4.080 ppm2      7.849 CV     1
 OR { 3393}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 36   and name H   ))
 ASSI { 3395}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 34   and name H   ))
      3.400     1.400     1.400 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      4.067 ppm2      8.927 CV     1
 OR { 3395}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 3397}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 30   and name H   ))
      4.800     2.900     1.200 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.75844E-03 ppm1      4.069 ppm2      9.611 CV     1
 OR { 3397}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 30   and name H   ))
 ASSI { 3402}
   (( segid "B   " and resid 33   and name HB2 ))
   (( segid "B   " and resid 29   and name HD23))
      4.100     2.100     1.900 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.76386E-03 ppm1      2.234 ppm2      0.274 CV     1
 OR { 3402}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3402}
   (( segid "B   " and resid 33   and name HB2 ))
   (( segid "B   " and resid 29   and name HD21))
 OR { 3402}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3402}
   (( segid "B   " and resid 33   and name HB2 ))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 3408}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 34   and name H   ))
      4.100     2.100     1.900 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.61127E-03 ppm1      4.154 ppm2      8.917 CV     1
 OR { 3408}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 3413}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 36   and name H   ))
      3.900     1.900     1.900 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.87266E-03 ppm1      4.153 ppm2      7.843 CV     1
 OR { 3413}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 36   and name H   ))
 ASSI { 3421}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.19862E-02 ppm1      3.997 ppm2      1.900 CV     1
 OR { 3421}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 3421}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 31   and name HB2 ))
 OR { 3421}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 3421}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 31   and name HB3 ))
 ASSI { 3422}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      3.999 ppm2      1.782 CV     1
 OR { 3422}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 35   and name HB2 ))
 OR { 3422}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 31   and name HD2 ))
 OR { 3422}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 31   and name HD2 ))
 OR { 3422}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 31   and name HD3 ))
 ASSI { 3423}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 33   and name HG2 ))
      3.100     1.200     1.200 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      3.997 ppm2      2.518 CV     1
 OR { 3423}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 33   and name HG2 ))
 OR { 3423}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 33   and name HG2 ))
 OR { 3423}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI { 3424}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 33   and name HG3 ))
      4.000     2.000     2.000 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      3.999 ppm2      2.430 CV     1
 OR { 3424}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 33   and name HG3 ))
 OR { 3424}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 33   and name HG3 ))
 OR { 3424}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI { 3425}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 30   and name HD22))
      3.600     1.600     1.600 peak  3425 spectrum    1 weight  0.10000E+01 volume  0.11651E-02 ppm1      4.005 ppm2      7.448 CV     1
 OR { 3425}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 30   and name HD22))
 OR { 3425}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 30   and name HD22))
 OR { 3425}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 30   and name HD22))
 ASSI { 3426}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 30   and name HD21))
      3.800     1.800     1.800 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.10968E-02 ppm1      3.999 ppm2      7.600 CV     1
 OR { 3426}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 30   and name HD21))
 OR { 3426}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 30   and name HD21))
 OR { 3426}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 30   and name HD21))
 ASSI { 3429}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 33   and name H   ))
      2.500     0.800     0.800 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.78552E-02 ppm1      3.998 ppm2      8.692 CV     1
 OR { 3429}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 33   and name H   ))
 OR { 3429}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 33   and name H   ))
 OR { 3429}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 33   and name H   ))
 ASSI { 3430}
   (( segid "B   " and resid 32   and name HB3 ))
   (( segid "B   " and resid 34   and name H   ))
      4.100     2.100     1.900 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.14360E-02 ppm1      4.001 ppm2      8.924 CV     1
 OR { 3430}
   (( segid "A   " and resid 32   and name HB3 ))
   (( segid "A   " and resid 34   and name H   ))
 OR { 3430}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 34   and name H   ))
 OR { 3430}
   (( segid "A   " and resid 32   and name HB2 ))
   (( segid "A   " and resid 34   and name H   ))
 ASSI { 3444}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.900     1.900     1.900 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      4.038 ppm2      1.383 CV     1
 OR { 3444}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 35   and name HB3 ))
 ASSI { 3445}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HE3 ))
      3.200     1.300     1.300 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.31907E-02 ppm1      1.908 ppm2      3.035 CV     1
 OR { 3445}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HE2 ))
 OR { 3445}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HE3 ))
 OR { 3445}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HE2 ))
 OR { 3445}
   (( segid "B   " and resid 57   and name HB3 ))
   (( segid "B   " and resid 57   and name HE2 ))
 OR { 3445}
   (( segid "B   " and resid 57   and name HB3 ))
   (( segid "B   " and resid 57   and name HE3 ))
 OR { 3445}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI { 3453}
   (( segid "B   " and resid 31   and name HD2 ))
   (( segid "B   " and resid 31   and name H   ))
      4.100     2.100     1.900 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1      1.774 ppm2      8.364 CV     1
 OR { 3453}
   (( segid "B   " and resid 31   and name HD3 ))
   (( segid "B   " and resid 31   and name H   ))
 OR { 3453}
   (( segid "B   " and resid 31   and name HD2 ))
   (( segid "B   " and resid 56   and name H   ))
 ASSI { 3455}
   (( segid "B   " and resid 31   and name HD2 ))
   (( segid "B   " and resid 57   and name H   ))
      4.200     2.200     1.800 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      1.776 ppm2      7.973 CV     1
 OR { 3455}
   (( segid "B   " and resid 31   and name HD3 ))
   (( segid "B   " and resid 57   and name H   ))
 OR { 3455}
   (( segid "B   " and resid 31   and name HD2 ))
   (( segid "B   " and resid 55   and name H   ))
 OR { 3455}
   (( segid "B   " and resid 31   and name HD3 ))
   (( segid "B   " and resid 55   and name H   ))
 OR { 3455}
   (( segid "A   " and resid 31   and name HD3 ))
   (( segid "A   " and resid 59   and name H   ))
 ASSI { 3457}
   (( segid "A   " and resid 31   and name HD3 ))
   (( segid "A   " and resid 59   and name HG2 ))
      3.400     1.400     1.400 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.29523E-02 ppm1      1.780 ppm2      2.517 CV     1
 OR { 3457}
   (( segid "A   " and resid 31   and name HD2 ))
   (( segid "A   " and resid 59   and name HG2 ))
 OR { 3457}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "B   " and resid 56   and name HG3 ))
 OR { 3457}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "B   " and resid 56   and name HG2 ))
 OR { 3457}
   (( segid "B   " and resid 31   and name HD3 ))
   (( segid "B   " and resid 56   and name HG2 ))
 ASSI { 3473}
   (( segid "B   " and resid 31   and name HG2 ))
   (( segid "B   " and resid 32   and name H   ))
      4.600     2.600     1.400 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.70252E-03 ppm1      1.585 ppm2      7.721 CV     1
 OR { 3473}
   (( segid "B   " and resid 31   and name HG2 ))
   (( segid "B   " and resid 61   and name H   ))
 ASSI { 3477}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 59   and name HE2 ))
      3.000     1.100     1.100 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.27724E-02 ppm1      4.803 ppm2      1.900 CV     1
 OR { 3477}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3477}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3477}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 3477}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 59   and name HB3 ))
 ASSI { 3479}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 69   and name HG2 ))
      3.100     1.200     1.200 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.23063E-02 ppm1      4.803 ppm2      2.145 CV     1
 OR { 3479}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 69   and name HB3 ))
 OR { 3479}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 69   and name HG2 ))
 ASSI { 3480}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HB3 ))
      2.500     0.800     0.800 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.32493E-02 ppm1      4.803 ppm2      3.050 CV     1
 OR { 3480}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI { 3481}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HB2 ))
      2.600     0.900     0.900 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.38366E-02 ppm1      4.805 ppm2      3.466 CV     1
 OR { 3481}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI { 3482}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name H   ))
      2.900     1.000     1.000 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.97953E-03 ppm1      4.805 ppm2      9.613 CV     1
 OR { 3482}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name H   ))
 ASSI { 3483}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name H   ))
      2.400     0.700     0.700 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.30216E-02 ppm1      4.807 ppm2      8.366 CV     1
 OR { 3483}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 31   and name H   ))
 ASSI { 3484}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HD22))
      4.400     2.400     1.600 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.10496E-02 ppm1      4.807 ppm2      7.452 CV     1
 OR { 3484}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HD22))
 ASSI { 3485}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HG3 ))
      4.200     2.200     1.800 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      4.797 ppm2      1.490 CV     1
 OR { 3485}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 31   and name HG3 ))
 OR { 3485}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 69   and name HB2 ))
 OR { 3485}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 69   and name HB2 ))
 ASSI { 3487}
   (( segid "B   " and resid 30   and name HB2 ))
   (( segid "B   " and resid 30   and name HD22))
      3.800     1.800     1.800 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.13580E-02 ppm1      3.471 ppm2      7.449 CV     1
 OR { 3487}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 30   and name HD22))
 ASSI { 3490}
   (( segid "B   " and resid 30   and name HB3 ))
   (( segid "B   " and resid 30   and name HD22))
      3.900     1.900     1.900 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      3.045 ppm2      7.451 CV     1
 OR { 3490}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 30   and name HD22))
 ASSI { 3494}
   (( segid "B   " and resid 30   and name HB3 ))
   (( segid "B   " and resid 30   and name HD21))
      3.200     1.300     1.300 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.90324E-03 ppm1      3.046 ppm2      7.613 CV     1
 OR { 3494}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 30   and name HD21))
 ASSI { 3502}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
      3.300     1.400     1.400 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.98909E-03 ppm1      5.249 ppm2      2.165 CV     1
 OR { 3502}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI { 3504}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.11746E-02 ppm1      5.276 ppm2      2.247 CV     1
 OR { 3504}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI { 3505}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 59   and name HE1 ))
      4.200     2.200     1.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.90779E-03 ppm1      5.258 ppm2      1.886 CV     1
 OR { 3505}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 3505}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3505}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 3505}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 31   and name HB2 ))
 OR { 3505}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 31   and name HB3 ))
 ASSI { 3507}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD23))
      3.000     1.100     1.100 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.10573E-02 ppm1      1.245 ppm2      0.284 CV     1
 OR { 3507}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3507}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3507}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3507}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD21))
 ASSI { 3508}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD11))
      3.700     1.700     1.700 peak  3508 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      1.232 ppm2      0.767 CV     1
 OR { 3508}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD11))
 OR { 3508}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD13))
 OR { 3508}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD13))
 OR { 3508}
   (( segid "B   " and resid 29   and name HB3 ))
   (( segid "B   " and resid 29   and name HD12))
 ASSI { 3511}
   (( segid "B   " and resid 29   and name HG  ))
   (( segid "B   " and resid 29   and name HD21))
      2.900     1.100     1.100 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.91322E-03 ppm1      1.214 ppm2      0.283 CV     1
 OR { 3511}
   (( segid "A   " and resid 29   and name HG  ))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3511}
   (( segid "B   " and resid 29   and name HG  ))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3511}
   (( segid "A   " and resid 29   and name HG  ))
   (( segid "A   " and resid 29   and name HD23))
 OR { 3511}
   (( segid "B   " and resid 29   and name HG  ))
   (( segid "B   " and resid 29   and name HD22))
 ASSI { 3514}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 34   and name H   ))
      4.500     2.500     1.500 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.13029E-02 ppm1      0.770 ppm2      8.926 CV     1
 OR { 3514}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 34   and name H   ))
 OR { 3514}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 34   and name H   ))
 OR { 3514}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 75   and name H   ))
 ASSI { 3534}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.13103E-02 ppm1      0.767 ppm2      3.566 CV     1
 OR { 3534}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 16   and name HA  ))
 OR { 3534}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 20   and name HA  ))
 OR { 3534}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 20   and name HA  ))
 OR { 3534}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 3537}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 75   and name HB2 ))
      4.800     2.800     1.200 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.62968E-03 ppm1      0.768 ppm2      3.251 CV     1
 OR { 3537}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 75   and name HB2 ))
 OR { 3537}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 72   and name HA  ))
 OR { 3537}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 72   and name HA  ))
 OR { 3537}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 72   and name HA  ))
 ASSI { 3538}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 70   and name HB  ))
      3.400     1.400     1.400 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.33077E-02 ppm1      0.768 ppm2      2.234 CV     1
 OR { 3538}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 3538}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 33   and name HB2 ))
 OR { 3538}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI { 3540}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 59   and name HE1 ))
      4.100     2.100     1.900 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      0.768 ppm2      1.902 CV     1
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 59   and name HE1 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 59   and name HE3 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 59   and name HE2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 38   and name HG  ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 38   and name HB2 ))
 OR { 3540}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 12   and name HE3 ))
 ASSI { 3541}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 34   and name HB3 ))
      4.600     2.600     1.400 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.10573E-02 ppm1      0.766 ppm2      1.390 CV     1
 OR { 3541}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 3541}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 34   and name HB3 ))
 OR { 3541}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 58   and name HG  ))
 ASSI { 3542}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 34   and name HG  ))
      4.100     2.100     1.900 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.96481E-03 ppm1      0.763 ppm2      1.536 CV     1
 OR { 3542}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 3542}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 34   and name HG  ))
 OR { 3542}
   (( segid "A   " and resid 29   and name HD13))
   (( segid "A   " and resid 28   and name HG2 ))
 OR { 3542}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 15   and name HG23))
 OR { 3542}
   (( segid "A   " and resid 29   and name HD12))
   (( segid "A   " and resid 28   and name HG2 ))
 OR { 3542}
   (( segid "A   " and resid 29   and name HD11))
   (( segid "A   " and resid 28   and name HG2 ))
 ASSI { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD13))
      2.600     0.800     0.800 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.81545E-02 ppm1      0.729 ppm2      0.915 CV     1
 OR { 3548}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 37   and name HD11))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD11))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD12))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HD13))
 OR { 3548}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HD11))
 ASSI { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD22))
      2.700     0.900     0.900 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.83886E-02 ppm1      0.729 ppm2      0.853 CV     1
 OR { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HD22))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD23))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD22))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HD22))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HD21))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 37   and name HD21))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HD23))
 OR { 3549}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HD23))
 ASSI { 3552}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 34   and name HB3 ))
      4.300     2.300     1.700 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      0.727 ppm2      1.446 CV     1
 OR { 3552}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 34   and name HB3 ))
 OR { 3552}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 34   and name HB3 ))
 OR { 3552}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 79   and name HB2 ))
 ASSI { 3554}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 70   and name HB  ))
      3.500     1.500     1.500 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.34530E-02 ppm1      0.729 ppm2      2.249 CV     1
 OR { 3554}
   (( segid "B   " and resid 29   and name HD13))
   (( segid "B   " and resid 33   and name HB2 ))
 OR { 3554}
   (( segid "B   " and resid 29   and name HD11))
   (( segid "B   " and resid 33   and name HB2 ))
 OR { 3554}
   (( segid "B   " and resid 29   and name HD12))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI { 3562}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 20   and name H   ))
      3.200     1.300     1.300 peak  3562 spectrum    1 weight  0.10000E+01 volume  0.21958E-02 ppm1      0.278 ppm2      8.529 CV     1
 OR { 3562}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 20   and name H   ))
 OR { 3562}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 20   and name H   ))
 OR { 3562}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 3563}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 30   and name HD22))
      4.800     2.900     1.200 peak  3563 spectrum    1 weight  0.10000E+01 volume  0.14120E-02 ppm1      0.283 ppm2      7.444 CV     1
 OR { 3563}
   (( segid "A   " and resid 29   and name HD23))
   (( segid "A   " and resid 30   and name HD22))
 OR { 3563}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 30   and name HD22))
 OR { 3563}
   (( segid "A   " and resid 29   and name HD21))
   (( segid "A   " and resid 30   and name HD22))
 OR { 3563}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 30   and name HD22))
 OR { 3563}
   (( segid "A   " and resid 29   and name HD22))
   (( segid "A   " and resid 30   and name HD22))
 ASSI { 3565}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 20   and name HB2 ))
      3.100     3.100     2.900 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.17196E-02 ppm1      0.283 ppm2      3.114 CV     1
 OR { 3565}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 20   and name HB2 ))
 OR { 3565}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 20   and name HB2 ))
 OR { 3565}
   (( segid "B   " and resid 29   and name HD22))
   (( segid "B   " and resid 16   and name HB2 ))
 OR { 3565}
   (( segid "B   " and resid 29   and name HD21))
   (( segid "B   " and resid 16   and name HB2 ))
 OR { 3565}
   (( segid "B   " and resid 29   and name HD23))
   (( segid "B   " and resid 16   and name HB2 ))
 ASSI { 3577}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.81739E-03 ppm1      5.161 ppm2      2.148 CV     1
 OR { 3577}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR { 3577}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 69   and name HB3 ))
 ASSI { 3580}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 69   and name HG2 ))
      4.500     2.500     1.500 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.95700E-03 ppm1      1.758 ppm2      2.155 CV     1
 OR { 3580}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI { 3581}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 69   and name HB3 ))
      3.700     1.700     1.700 peak  3581 spectrum    1 weight  0.10000E+01 volume  0.69235E-03 ppm1      1.720 ppm2      2.163 CV     1
 OR { 3581}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 20   and name HB3 ))
 OR { 3581}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 69   and name HG3 ))
 ASSI { 3585}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HA  ))
      3.800     1.800     1.800 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      1.530 ppm2      5.163 CV     1
 OR { 3585}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI { 3586}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name H   ))
      3.500     1.500     1.500 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.83647E-03 ppm1      1.534 ppm2      7.202 CV     1
 OR { 3586}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name H   ))
 ASSI { 3588}
   (( segid "A   " and resid 28   and name HG3 ))
   (( segid "A   " and resid 28   and name HA  ))
      3.400     1.500     1.500 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.11456E-02 ppm1      1.344 ppm2      5.157 CV     1
 OR { 3588}
   (( segid "B   " and resid 28   and name HG3 ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI { 3589}
   (( segid "A   " and resid 28   and name HD2 ))
   (( segid "A   " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.79334E-03 ppm1      1.703 ppm2      5.165 CV     1
 OR { 3589}
   (( segid "B   " and resid 28   and name HD2 ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI { 3591}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 28   and name HG3 ))
      3.000     1.100     1.100 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.19266E-02 ppm1      1.515 ppm2      1.341 CV     1
 OR { 3591}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 28   and name HG3 ))
 ASSI { 3592}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 28   and name HD2 ))
      1.900     0.500     0.500 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.58070E-02 ppm1      1.512 ppm2      1.706 CV     1
 OR { 3592}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 28   and name HD2 ))
 ASSI { 3593}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 69   and name HB3 ))
      4.100     2.100     1.900 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      1.513 ppm2      2.156 CV     1
 OR { 3593}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 69   and name HG2 ))
 OR { 3593}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 69   and name HG2 ))
 ASSI { 3596}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 28   and name HE2 ))
      3.000     1.100     1.100 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.17059E-02 ppm1      1.514 ppm2      3.137 CV     1
 OR { 3596}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 28   and name HE2 ))
 OR { 3596}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 28   and name HE3 ))
 OR { 3596}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 28   and name HE3 ))
 ASSI { 3598}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 25   and name HB3 ))
      4.100     2.100     1.900 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.73829E-03 ppm1      1.512 ppm2      2.725 CV     1
 OR { 3598}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI { 3599}
   (( segid "A   " and resid 28   and name HD3 ))
   (( segid "A   " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.89413E-03 ppm1      1.516 ppm2      5.163 CV     1
 OR { 3599}
   (( segid "B   " and resid 28   and name HD3 ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI { 3600}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 28   and name HG3 ))
      3.100     1.200     1.200 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.23085E-02 ppm1      3.143 ppm2      1.340 CV     1
 OR { 3600}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 28   and name HG3 ))
 OR { 3600}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 28   and name HG3 ))
 OR { 3600}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 28   and name HG3 ))
 ASSI { 3601}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 28   and name HD3 ))
      2.400     0.800     0.800 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.62710E-02 ppm1      3.144 ppm2      1.516 CV     1
 OR { 3601}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 28   and name HD3 ))
 OR { 3601}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 28   and name HD3 ))
 OR { 3601}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 28   and name HD3 ))
 OR { 3601}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 28   and name HG2 ))
 OR { 3601}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 28   and name HG2 ))
 ASSI { 3602}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 28   and name HD2 ))
      2.500     0.800     0.800 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      3.143 ppm2      1.708 CV     1
 OR { 3602}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 28   and name HD2 ))
 OR { 3602}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 28   and name HD2 ))
 OR { 3602}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 28   and name HD2 ))
 ASSI { 3603}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 69   and name HB3 ))
      3.900     1.900     1.900 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.99383E-03 ppm1      3.138 ppm2      2.163 CV     1
 OR { 3603}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 69   and name HB3 ))
 OR { 3603}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 69   and name HG2 ))
 OR { 3603}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 69   and name HG3 ))
 OR { 3603}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 69   and name HG2 ))
 ASSI { 3604}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.11514E-02 ppm1      3.125 ppm2      5.158 CV     1
 OR { 3604}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 28   and name HA  ))
 OR { 3604}
   (( segid "B   " and resid 28   and name HE2 ))
   (( segid "B   " and resid 28   and name HA  ))
 OR { 3604}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 28   and name HA  ))
 OR { 3604}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 71   and name HA  ))
 ASSI { 3605}
   (( segid "A   " and resid 28   and name HE3 ))
   (( segid "A   " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      3.142 ppm2      5.188 CV     1
 OR { 3605}
   (( segid "A   " and resid 28   and name HE2 ))
   (( segid "A   " and resid 28   and name HA  ))
 OR { 3605}
   (( segid "B   " and resid 28   and name HE3 ))
   (( segid "B   " and resid 71   and name HA  ))
 ASSI { 3608}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 28   and name H   ))
      3.000     1.100     1.100 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.18845E-02 ppm1      4.856 ppm2      7.203 CV     1
 OR { 3608}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 28   and name H   ))
 ASSI { 3609}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name H   ))
      2.900     1.100     1.100 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.21357E-02 ppm1      4.860 ppm2      9.575 CV     1
 OR { 3609}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name H   ))
 ASSI { 3610}
   (( segid "A   " and resid 27   and name HA  ))
   (  segid "A   " and resid 75   and name HD% )
      4.300     2.300     1.700 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      4.860 ppm2      6.924 CV     1
 OR { 3610}
   (( segid "B   " and resid 27   and name HA  ))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 3613}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.33339E-02 ppm1      4.856 ppm2      3.162 CV     1
 OR { 3613}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB3 ))
 ASSI { 3615}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 28   and name H   ))
      4.200     2.200     1.800 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.71834E-03 ppm1      3.790 ppm2      7.205 CV     1
 OR { 3615}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 28   and name H   ))
 ASSI { 3618}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1      3.777 ppm2      4.847 CV     1
 OR { 3618}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 27   and name HA  ))
 ASSI { 3619}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HB3 ))
      1.900     0.400     0.400 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.83692E-02 ppm1      3.780 ppm2      3.166 CV     1
 OR { 3619}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 27   and name HB3 ))
 ASSI { 3626}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name H   ))
      2.900     1.000     1.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.18329E-02 ppm1      4.411 ppm2      9.340 CV     1
 OR { 3626}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name H   ))
 ASSI { 3630}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 28   and name H   ))
      3.500     1.600     1.600 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      4.413 ppm2      7.220 CV     1
 OR { 3630}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3631}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 21   and name HA2 ))
      2.400     0.700     0.700 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.55122E-02 ppm1      4.411 ppm2      4.141 CV     1
 OR { 3631}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 21   and name HA2 ))
 ASSI { 3632}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 21   and name HA3 ))
      3.000     1.100     1.100 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.41120E-02 ppm1      4.412 ppm2      3.882 CV     1
 OR { 3632}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 21   and name HA3 ))
 ASSI { 3633}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HE2 ))
      4.600     2.600     1.400 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      4.413 ppm2      2.996 CV     1
 OR { 3633}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3633}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3633}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HE3 ))
 ASSI { 3634}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HG2 ))
      3.200     1.300     1.300 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.39861E-02 ppm1      4.412 ppm2      1.295 CV     1
 OR { 3634}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HG2 ))
 ASSI { 3635}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.51219E-02 ppm1      4.412 ppm2      1.601 CV     1
 OR { 3635}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI { 3636}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB3 ))
      2.500     0.800     0.800 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.34682E-02 ppm1      4.413 ppm2      1.431 CV     1
 OR { 3636}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB3 ))
 ASSI { 3637}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 26   and name HG2 ))
      2.500     0.800     0.800 peak  3637 spectrum    1 weight  0.10000E+01 volume  0.54906E-02 ppm1      1.588 ppm2      1.293 CV     1
 OR { 3637}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 26   and name HG2 ))
 ASSI { 3639}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 26   and name HE2 ))
      3.900     1.900     1.900 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.71575E-03 ppm1      1.585 ppm2      3.007 CV     1
 OR { 3639}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3639}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3639}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 26   and name HE3 ))
 ASSI { 3641}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 21   and name HA2 ))
      3.800     1.800     1.800 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.16543E-02 ppm1      1.589 ppm2      4.145 CV     1
 OR { 3641}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 21   and name HA2 ))
 ASSI { 3646}
   (( segid "A   " and resid 26   and name HB3 ))
   (  segid "A   " and resid 27   and name HD% )
      4.400     2.400     1.600 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.75020E-03 ppm1      1.428 ppm2      7.495 CV     1
 OR { 3646}
   (( segid "B   " and resid 26   and name HB3 ))
   (  segid "B   " and resid 27   and name HD% )
 ASSI { 3650}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 21   and name HA2 ))
      3.300     1.400     1.400 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      1.432 ppm2      4.144 CV     1
 OR { 3650}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 21   and name HA2 ))
 ASSI { 3652}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HE2 ))
      4.500     2.500     1.500 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.76428E-03 ppm1      1.439 ppm2      3.000 CV     1
 OR { 3652}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3652}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3652}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 26   and name HE3 ))
 ASSI { 3654}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 26   and name HG2 ))
      2.200     0.600     0.600 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.60714E-02 ppm1      1.431 ppm2      1.292 CV     1
 OR { 3654}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HG2 ))
 ASSI { 3655}
   (( segid "A   " and resid 26   and name HG2 ))
   (( segid "A   " and resid 26   and name HE2 ))
      2.800     1.000     1.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.38886E-02 ppm1      1.297 ppm2      3.004 CV     1
 OR { 3655}
   (( segid "B   " and resid 26   and name HG2 ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3655}
   (( segid "A   " and resid 26   and name HG2 ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3655}
   (( segid "B   " and resid 26   and name HG2 ))
   (( segid "B   " and resid 26   and name HE3 ))
 ASSI { 3657}
   (( segid "A   " and resid 26   and name HG2 ))
   (( segid "A   " and resid 21   and name HA2 ))
      3.700     1.700     1.700 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.17579E-02 ppm1      1.302 ppm2      4.140 CV     1
 OR { 3657}
   (( segid "B   " and resid 26   and name HG2 ))
   (( segid "B   " and resid 21   and name HA2 ))
 ASSI { 3658}
   (( segid "A   " and resid 26   and name HG2 ))
   (( segid "A   " and resid 21   and name HA3 ))
      4.000     2.000     2.000 peak  3658 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      1.299 ppm2      3.881 CV     1
 OR { 3658}
   (( segid "B   " and resid 26   and name HG2 ))
   (( segid "B   " and resid 21   and name HA3 ))
 ASSI { 3659}
   (( segid "A   " and resid 26   and name HG2 ))
   (  segid "A   " and resid 27   and name HD% )
      3.800     1.800     1.800 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.98105E-03 ppm1      1.300 ppm2      7.501 CV     1
 OR { 3659}
   (( segid "B   " and resid 26   and name HG2 ))
   (  segid "B   " and resid 27   and name HD% )
 ASSI { 3660}
   (( segid "B   " and resid 26   and name HG3 ))
   (  segid "B   " and resid 27   and name HD% )
      3.900     1.900     1.900 peak  3660 spectrum    1 weight  0.10000E+01 volume  0.60756E-03 ppm1      1.276 ppm2      7.499 CV     1
 OR { 3660}
   (( segid "A   " and resid 26   and name HG3 ))
   (  segid "A   " and resid 27   and name HD% )
 ASSI { 3663}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 21   and name HA3 ))
      4.200     2.300     1.800 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.61754E-03 ppm1      1.271 ppm2      3.874 CV     1
 OR { 3663}
   (( segid "B   " and resid 26   and name HG3 ))
   (( segid "B   " and resid 21   and name HA3 ))
 ASSI { 3664}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 21   and name HA2 ))
      3.700     1.700     1.700 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.11922E-02 ppm1      1.271 ppm2      4.142 CV     1
 OR { 3664}
   (( segid "B   " and resid 26   and name HG3 ))
   (( segid "B   " and resid 21   and name HA2 ))
 ASSI { 3665}
   (( segid "B   " and resid 26   and name HG3 ))
   (( segid "B   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.22218E-02 ppm1      1.264 ppm2      4.407 CV     1
 OR { 3665}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 26   and name HA  ))
 ASSI { 3666}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 26   and name HE2 ))
      3.200     1.300     1.300 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.21043E-02 ppm1      1.264 ppm2      3.000 CV     1
 OR { 3666}
   (( segid "B   " and resid 26   and name HG3 ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3666}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3666}
   (( segid "B   " and resid 26   and name HG3 ))
   (( segid "B   " and resid 26   and name HE3 ))
 ASSI { 3667}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 27   and name H   ))
      4.200     2.200     1.800 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.63597E-03 ppm1      1.637 ppm2      9.582 CV     1
 OR { 3667}
   (( segid "A   " and resid 26   and name HD3 ))
   (( segid "A   " and resid 27   and name H   ))
 OR { 3667}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 27   and name H   ))
 OR { 3667}
   (( segid "A   " and resid 26   and name HD2 ))
   (( segid "A   " and resid 27   and name H   ))
 ASSI { 3669}
   (( segid "B   " and resid 26   and name HD3 ))
   (  segid "B   " and resid 27   and name HD% )
      3.400     1.500     1.500 peak  3669 spectrum    1 weight  0.10000E+01 volume  0.17816E-02 ppm1      1.634 ppm2      7.500 CV     1
 OR { 3669}
   (( segid "A   " and resid 26   and name HD3 ))
   (  segid "A   " and resid 27   and name HD% )
 OR { 3669}
   (( segid "B   " and resid 26   and name HD2 ))
   (  segid "B   " and resid 27   and name HD% )
 OR { 3669}
   (( segid "A   " and resid 26   and name HD2 ))
   (  segid "A   " and resid 27   and name HD% )
 ASSI { 3670}
   (( segid "A   " and resid 26   and name HD3 ))
   (  segid "A   " and resid 27   and name HE% )
      3.800     1.800     1.800 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.13996E-02 ppm1      1.632 ppm2      7.421 CV     1
 OR { 3670}
   (( segid "B   " and resid 26   and name HD3 ))
   (  segid "B   " and resid 27   and name HE% )
 OR { 3670}
   (( segid "B   " and resid 26   and name HD2 ))
   (  segid "B   " and resid 27   and name HE% )
 OR { 3670}
   (( segid "A   " and resid 26   and name HD2 ))
   (  segid "A   " and resid 27   and name HE% )
 ASSI { 3672}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 25   and name HA  ))
      3.900     1.900     1.900 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.80373E-03 ppm1      1.630 ppm2      4.488 CV     1
 OR { 3672}
   (( segid "A   " and resid 26   and name HD3 ))
   (( segid "A   " and resid 25   and name HA  ))
 ASSI { 3673}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 26   and name HA  ))
      3.300     1.300     1.300 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.38627E-02 ppm1      1.631 ppm2      4.412 CV     1
 OR { 3673}
   (( segid "A   " and resid 26   and name HD3 ))
   (( segid "A   " and resid 26   and name HA  ))
 OR { 3673}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 26   and name HA  ))
 OR { 3673}
   (( segid "A   " and resid 26   and name HD2 ))
   (( segid "A   " and resid 26   and name HA  ))
 ASSI { 3675}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 21   and name HA3 ))
      2.300     2.300     3.700 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.18940E-02 ppm1      1.630 ppm2      3.883 CV     1
 OR { 3675}
   (( segid "A   " and resid 26   and name HD3 ))
   (( segid "A   " and resid 21   and name HA3 ))
 OR { 3675}
   (( segid "A   " and resid 26   and name HD2 ))
   (( segid "A   " and resid 21   and name HA3 ))
 OR { 3675}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 21   and name HA3 ))
 ASSI { 3676}
   (( segid "A   " and resid 26   and name HD2 ))
   (( segid "A   " and resid 26   and name HE3 ))
      2.000     0.500     0.500 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.22326E-01 ppm1      1.630 ppm2      3.007 CV     1
 OR { 3676}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 26   and name HE3 ))
 OR { 3676}
   (( segid "B   " and resid 26   and name HD2 ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR { 3676}
   (( segid "A   " and resid 26   and name HD2 ))
   (( segid "A   " and resid 26   and name HE2 ))
 OR { 3676}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 26   and name HE3 ))
 OR { 3676}
   (( segid "A   " and resid 26   and name HD3 ))
   (( segid "A   " and resid 26   and name HE3 ))
 OR { 3676}
   (( segid "B   " and resid 26   and name HD3 ))
   (( segid "B   " and resid 26   and name HE2 ))
 ASSI { 3677}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 25   and name H   ))
      3.100     1.200     1.200 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.18149E-02 ppm1      4.493 ppm2      8.601 CV     1
 OR { 3677}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 25   and name H   ))
 ASSI { 3679}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 26   and name H   ))
      2.300     0.600     0.600 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.74652E-02 ppm1      4.490 ppm2      9.339 CV     1
 OR { 3679}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name H   ))
 ASSI { 3680}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HB3 ))
      4.200     2.200     1.800 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      4.488 ppm2      1.430 CV     1
 OR { 3680}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 26   and name HB3 ))
 ASSI { 3681}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HG2 ))
      4.200     2.200     1.800 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.13862E-02 ppm1      4.490 ppm2      1.289 CV     1
 OR { 3681}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 26   and name HG2 ))
 ASSI { 3684}
   (( segid "B   " and resid 25   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      4.700     2.800     1.300 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.96349E-03 ppm1      4.490 ppm2      1.610 CV     1
 OR { 3684}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI { 3687}
   (( segid "A   " and resid 25   and name HB2 ))
   (( segid "A   " and resid 25   and name HB3 ))
      2.200     0.600     0.600 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.35463E-02 ppm1      2.885 ppm2      2.709 CV     1
 OR { 3687}
   (( segid "B   " and resid 25   and name HB2 ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI { 3693}
   (( segid "A   " and resid 25   and name HB3 ))
   (( segid "A   " and resid 28   and name HB3 ))
      4.400     2.500     1.600 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.76040E-03 ppm1      2.710 ppm2      1.725 CV     1
 OR { 3693}
   (( segid "B   " and resid 25   and name HB3 ))
   (( segid "B   " and resid 28   and name HB2 ))
 OR { 3693}
   (( segid "A   " and resid 25   and name HB3 ))
   (( segid "A   " and resid 28   and name HB2 ))
 OR { 3693}
   (( segid "A   " and resid 25   and name HB3 ))
   (( segid "A   " and resid 28   and name HD2 ))
 ASSI { 3694}
   (( segid "A   " and resid 24   and name HA2 ))
   (( segid "A   " and resid 24   and name HA3 ))
      2.100     0.600     0.600 peak  3694 spectrum    1 weight  0.10000E+01 volume  0.49075E-02 ppm1      3.944 ppm2      3.782 CV     1
 OR { 3694}
   (( segid "B   " and resid 24   and name HA2 ))
   (( segid "B   " and resid 24   and name HA3 ))
 ASSI { 3696}
   (( segid "A   " and resid 24   and name HA3 ))
   (( segid "A   " and resid 23   and name HA  ))
      4.200     2.200     1.800 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.82217E-03 ppm1      3.778 ppm2      4.669 CV     1
 OR { 3696}
   (( segid "B   " and resid 24   and name HA3 ))
   (( segid "B   " and resid 23   and name HA  ))
 ASSI { 3700}
   (( segid "B   " and resid 24   and name HA3 ))
   (( segid "B   " and resid 25   and name H   ))
      2.900     1.100     1.100 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.15062E-02 ppm1      3.791 ppm2      8.609 CV     1
 OR { 3700}
   (( segid "A   " and resid 24   and name HA3 ))
   (( segid "A   " and resid 25   and name H   ))
 ASSI { 3701}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 23   and name H   ))
      2.700     0.900     0.900 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.42744E-02 ppm1      4.652 ppm2      9.612 CV     1
 OR { 3701}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name H   ))
 ASSI { 3703}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 24   and name HA2 ))
      4.000     2.000     2.000 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.95787E-03 ppm1      4.652 ppm2      3.950 CV     1
 OR { 3703}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 24   and name HA2 ))
 ASSI { 3704}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HG2 ))
      2.800     1.000     1.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.47038E-02 ppm1      4.651 ppm2      2.254 CV     1
 OR { 3704}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 23   and name HG2 ))
 ASSI { 3705}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HG3 ))
      3.300     1.300     1.300 peak  3705 spectrum    1 weight  0.10000E+01 volume  0.28309E-02 ppm1      4.651 ppm2      2.137 CV     1
 OR { 3705}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 23   and name HG3 ))
 ASSI { 3706}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 23   and name HB2 ))
      2.800     0.900     0.900 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.50851E-02 ppm1      4.650 ppm2      1.988 CV     1
 OR { 3706}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI { 3707}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 23   and name HB3 ))
      2.900     1.000     1.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.28916E-02 ppm1      4.651 ppm2      1.826 CV     1
 OR { 3707}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB3 ))
 ASSI { 3710}
   (( segid "A   " and resid 23   and name HB2 ))
   (( segid "A   " and resid 30   and name HD21))
      3.200     1.300     1.300 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.24450E-02 ppm1      1.987 ppm2      7.608 CV     1
 OR { 3710}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 30   and name HD21))
 ASSI { 3711}
   (( segid "A   " and resid 23   and name HB2 ))
   (( segid "A   " and resid 30   and name HD22))
      3.000     1.100     1.100 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.16216E-02 ppm1      1.992 ppm2      7.450 CV     1
 OR { 3711}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 30   and name HD22))
 ASSI { 3713}
   (( segid "A   " and resid 23   and name HB3 ))
   (( segid "A   " and resid 30   and name HD22))
      3.300     1.400     1.400 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.13894E-02 ppm1      1.830 ppm2      7.452 CV     1
 OR { 3713}
   (( segid "B   " and resid 23   and name HB3 ))
   (( segid "B   " and resid 30   and name HD22))
 ASSI { 3714}
   (( segid "A   " and resid 23   and name HB3 ))
   (( segid "A   " and resid 30   and name HD21))
      3.600     1.600     1.600 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.15576E-02 ppm1      1.833 ppm2      7.606 CV     1
 OR { 3714}
   (( segid "B   " and resid 23   and name HB3 ))
   (( segid "B   " and resid 30   and name HD21))
 ASSI { 3717}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 23   and name HG2 ))
      2.800     1.000     1.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.42269E-02 ppm1      1.989 ppm2      2.251 CV     1
 OR { 3717}
   (( segid "A   " and resid 23   and name HB2 ))
   (( segid "A   " and resid 23   and name HG2 ))
 ASSI { 3718}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 23   and name HG3 ))
      2.500     0.800     0.800 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.53692E-02 ppm1      1.987 ppm2      2.139 CV     1
 OR { 3718}
   (( segid "A   " and resid 23   and name HB2 ))
   (( segid "A   " and resid 23   and name HG3 ))
 ASSI { 3719}
   (( segid "A   " and resid 23   and name HB2 ))
   (( segid "A   " and resid 23   and name HB3 ))
      1.900     0.400     0.400 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.78620E-02 ppm1      1.986 ppm2      1.826 CV     1
 OR { 3719}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 23   and name HB3 ))
 ASSI { 3720}
   (( segid "B   " and resid 23   and name HB3 ))
   (( segid "B   " and resid 23   and name HG2 ))
      3.300     1.400     1.400 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.16285E-02 ppm1      1.831 ppm2      2.249 CV     1
 OR { 3720}
   (( segid "A   " and resid 23   and name HB3 ))
   (( segid "A   " and resid 23   and name HG2 ))
 ASSI { 3721}
   (( segid "B   " and resid 23   and name HB3 ))
   (( segid "B   " and resid 23   and name HG3 ))
      3.100     1.200     1.200 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.22781E-02 ppm1      1.825 ppm2      2.134 CV     1
 OR { 3721}
   (( segid "A   " and resid 23   and name HB3 ))
   (( segid "A   " and resid 23   and name HG3 ))
 ASSI { 3725}
   (( segid "A   " and resid 23   and name HG2 ))
   (( segid "A   " and resid 30   and name HD21))
      4.300     2.300     1.700 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.97259E-03 ppm1      2.252 ppm2      7.614 CV     1
 OR { 3725}
   (( segid "B   " and resid 23   and name HG2 ))
   (( segid "B   " and resid 30   and name HD21))
 ASSI { 3726}
   (( segid "A   " and resid 23   and name HG2 ))
   (( segid "A   " and resid 30   and name HD22))
      4.000     2.000     2.000 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.73784E-03 ppm1      2.261 ppm2      7.451 CV     1
 OR { 3726}
   (( segid "B   " and resid 23   and name HG2 ))
   (( segid "B   " and resid 30   and name HD22))
 ASSI { 3728}
   (( segid "A   " and resid 23   and name HG2 ))
   (( segid "A   " and resid 22   and name H   ))
      5.000     3.100     1.000 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.53214E-03 ppm1      2.249 ppm2      7.244 CV     1
 OR { 3728}
   (( segid "B   " and resid 23   and name HG2 ))
   (( segid "B   " and resid 22   and name H   ))
 ASSI { 3731}
   (( segid "A   " and resid 23   and name HG2 ))
   (( segid "A   " and resid 23   and name HG3 ))
      1.600     0.300     0.600 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.21936E-01 ppm1      2.253 ppm2      2.139 CV     1
 OR { 3731}
   (( segid "B   " and resid 23   and name HG2 ))
   (( segid "B   " and resid 23   and name HG3 ))
 ASSI { 3732}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name H   ))
      2.500     0.800     0.800 peak  3732 spectrum    1 weight  0.10000E+01 volume  0.68931E-02 ppm1      3.999 ppm2      7.241 CV     1
 OR { 3732}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3733}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.58135E-02 ppm1      3.999 ppm2      2.189 CV     1
 OR { 3733}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 3734}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HB3 ))
      2.500     0.800     0.800 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.81891E-02 ppm1      3.998 ppm2      2.039 CV     1
 OR { 3734}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI { 3736}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HD3 ))
      4.100     2.100     1.900 peak  3736 spectrum    1 weight  0.10000E+01 volume  0.19324E-02 ppm1      3.999 ppm2      1.803 CV     1
 OR { 3736}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HD3 ))
 ASSI { 3737}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HG2 ))
      3.200     1.300     1.300 peak  3737 spectrum    1 weight  0.10000E+01 volume  0.28721E-02 ppm1      3.998 ppm2      1.727 CV     1
 OR { 3737}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HG2 ))
 ASSI { 3739}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HG3 ))
      2.300     0.700     0.700 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.68453E-02 ppm1      3.999 ppm2      1.474 CV     1
 OR { 3739}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HG3 ))
 ASSI { 3742}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 23   and name H   ))
      3.000     1.200     1.200 peak  3742 spectrum    1 weight  0.10000E+01 volume  0.32102E-02 ppm1      2.191 ppm2      9.614 CV     1
 OR { 3742}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 23   and name H   ))
 ASSI { 3744}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 22   and name H   ))
      2.400     0.700     0.700 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.44436E-02 ppm1      2.190 ppm2      7.241 CV     1
 OR { 3744}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3745}
   (( segid "B   " and resid 22   and name HB3 ))
   (( segid "B   " and resid 22   and name H   ))
      2.900     1.000     1.000 peak  3745 spectrum    1 weight  0.10000E+01 volume  0.43699E-02 ppm1      2.039 ppm2      7.240 CV     1
 OR { 3745}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3749}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 4    and name HA  ))
      2.300     0.600     0.600 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.42831E-02 ppm1      2.188 ppm2      4.345 CV     1
 OR { 3749}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI { 3773}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  3773 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      1.474 ppm2      4.349 CV     1
 OR { 3773}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 19   and name HA  ))
 ASSI { 3774}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.31279E-02 ppm1      1.472 ppm2      2.190 CV     1
 OR { 3774}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 3775}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.44306E-02 ppm1      1.472 ppm2      2.037 CV     1
 OR { 3775}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI { 3776}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 22   and name HD3 ))
      2.500     0.800     0.800 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.57702E-02 ppm1      1.475 ppm2      1.804 CV     1
 OR { 3776}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 22   and name HD3 ))
 ASSI { 3777}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 22   and name H   ))
      3.500     1.500     1.500 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.32015E-02 ppm1      1.473 ppm2      7.242 CV     1
 OR { 3777}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3778}
   (( segid "A   " and resid 22   and name HG3 ))
   (( segid "A   " and resid 23   and name H   ))
      4.200     2.200     1.800 peak  3778 spectrum    1 weight  0.10000E+01 volume  0.13526E-02 ppm1      1.475 ppm2      9.609 CV     1
 OR { 3778}
   (( segid "B   " and resid 22   and name HG3 ))
   (( segid "B   " and resid 23   and name H   ))
 ASSI { 3780}
   (( segid "B   " and resid 22   and name HD2 ))
   (( segid "B   " and resid 22   and name H   ))
      3.700     1.700     1.700 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.21654E-02 ppm1      1.913 ppm2      7.241 CV     1
 OR { 3780}
   (( segid "A   " and resid 22   and name HD2 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3781}
   (( segid "B   " and resid 22   and name HD3 ))
   (( segid "B   " and resid 22   and name H   ))
      4.200     2.200     1.800 peak  3781 spectrum    1 weight  0.10000E+01 volume  0.19283E-02 ppm1      1.806 ppm2      7.241 CV     1
 OR { 3781}
   (( segid "A   " and resid 22   and name HD3 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3782}
   (( segid "B   " and resid 22   and name HD3 ))
   (  segid "B   " and resid 19   and name HD% )
      3.600     1.600     1.600 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.92946E-03 ppm1      1.807 ppm2      7.407 CV     1
 OR { 3782}
   (( segid "A   " and resid 22   and name HD3 ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 3783}
   (( segid "A   " and resid 22   and name HD2 ))
   (  segid "A   " and resid 19   and name HD% )
      2.800     1.000     1.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.18208E-02 ppm1      1.913 ppm2      7.417 CV     1
 OR { 3783}
   (( segid "B   " and resid 22   and name HD2 ))
   (  segid "B   " and resid 19   and name HD% )
 ASSI { 3784}
   (( segid "A   " and resid 22   and name HD2 ))
   (  segid "A   " and resid 19   and name HE% )
      2.700     2.700     3.300 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.72896E-03 ppm1      1.920 ppm2      6.840 CV     1
 OR { 3784}
   (( segid "B   " and resid 22   and name HD2 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3785}
   (( segid "B   " and resid 22   and name HD2 ))
   (( segid "B   " and resid 23   and name H   ))
      2.600     2.600     3.400 peak  3785 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      1.917 ppm2      9.612 CV     1
 OR { 3785}
   (( segid "A   " and resid 22   and name HD2 ))
   (( segid "A   " and resid 23   and name H   ))
 ASSI { 3786}
   (( segid "B   " and resid 22   and name HD3 ))
   (( segid "B   " and resid 23   and name H   ))
      2.600     2.600     3.400 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      1.809 ppm2      9.618 CV     1
 OR { 3786}
   (( segid "A   " and resid 22   and name HD3 ))
   (( segid "A   " and resid 23   and name H   ))
 ASSI { 3787}
   (( segid "B   " and resid 22   and name HD2 ))
   (( segid "B   " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.29609E-02 ppm1      1.917 ppm2      3.995 CV     1
 OR { 3787}
   (( segid "A   " and resid 22   and name HD2 ))
   (( segid "A   " and resid 22   and name HA  ))
 ASSI { 3789}
   (( segid "B   " and resid 22   and name HD2 ))
   (( segid "B   " and resid 22   and name HG3 ))
      2.500     0.800     0.800 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.72528E-02 ppm1      1.916 ppm2      1.476 CV     1
 OR { 3789}
   (( segid "A   " and resid 22   and name HD2 ))
   (( segid "A   " and resid 22   and name HG3 ))
 ASSI { 3790}
   (( segid "B   " and resid 21   and name HA2 ))
   (( segid "B   " and resid 26   and name HD3 ))
      3.600     1.600     1.600 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.20005E-02 ppm1      4.143 ppm2      1.614 CV     1
 OR { 3790}
   (( segid "A   " and resid 21   and name HA2 ))
   (( segid "A   " and resid 26   and name HD3 ))
 OR { 3790}
   (( segid "B   " and resid 21   and name HA2 ))
   (( segid "B   " and resid 26   and name HD2 ))
 OR { 3790}
   (( segid "A   " and resid 21   and name HA2 ))
   (( segid "A   " and resid 26   and name HD2 ))
 ASSI { 3795}
   (( segid "B   " and resid 21   and name HA2 ))
   (( segid "B   " and resid 21   and name HA3 ))
      2.000     0.500     0.500 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.58222E-02 ppm1      4.144 ppm2      3.883 CV     1
 OR { 3795}
   (( segid "A   " and resid 21   and name HA2 ))
   (( segid "A   " and resid 21   and name HA3 ))
 ASSI { 3797}
   (( segid "A   " and resid 21   and name HA3 ))
   (( segid "A   " and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.16058E-02 ppm1      3.884 ppm2      1.606 CV     1
 OR { 3797}
   (( segid "B   " and resid 21   and name HA3 ))
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI { 3798}
   (( segid "A   " and resid 21   and name HA3 ))
   (( segid "A   " and resid 26   and name HB3 ))
      3.300     1.400     1.400 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.99926E-03 ppm1      3.887 ppm2      1.433 CV     1
 OR { 3798}
   (( segid "B   " and resid 21   and name HA3 ))
   (( segid "B   " and resid 26   and name HB3 ))
 ASSI { 3801}
   (( segid "B   " and resid 21   and name HA2 ))
   (( segid "B   " and resid 22   and name H   ))
      3.100     1.200     1.200 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.12639E-02 ppm1      4.143 ppm2      7.243 CV     1
 OR { 3801}
   (( segid "A   " and resid 21   and name HA2 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3805}
   (( segid "B   " and resid 21   and name HA3 ))
   (( segid "B   " and resid 22   and name H   ))
      3.500     1.500     1.500 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.13771E-02 ppm1      3.891 ppm2      7.248 CV     1
 OR { 3805}
   (( segid "A   " and resid 21   and name HA3 ))
   (( segid "A   " and resid 22   and name H   ))
 ASSI { 3834}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 29   and name HD21))
      4.400     2.500     1.600 peak  3834 spectrum    1 weight  0.10000E+01 volume  0.95180E-03 ppm1      4.340 ppm2      0.276 CV     1
 OR { 3834}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3834}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 29   and name HD23))
 OR { 3834}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3834}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 29   and name HD22))
 ASSI { 3840}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.20477E-02 ppm1      4.346 ppm2      2.350 CV     1
 OR { 3840}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI { 3841}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.99212E-03 ppm1      4.350 ppm2      2.196 CV     1
 OR { 3841}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HB2 ))
 OR { 3841}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3841}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 36   and name HB3 ))
 ASSI { 3842}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HD2 ))
      2.900     1.100     1.100 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.20330E-02 ppm1      4.354 ppm2      1.910 CV     1
 OR { 3842}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HD2 ))
 OR { 3842}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI { 3843}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HD3 ))
      3.800     1.800     1.800 peak  3843 spectrum    1 weight  0.10000E+01 volume  0.12754E-02 ppm1      4.353 ppm2      1.812 CV     1
 OR { 3843}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HD3 ))
 OR { 3843}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 18   and name HB3 ))
 ASSI { 3844}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HG2 ))
      3.900     1.900     1.900 peak  3844 spectrum    1 weight  0.10000E+01 volume  0.19129E-02 ppm1      4.341 ppm2      1.735 CV     1
 OR { 3844}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HG2 ))
 OR { 3844}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 18   and name HD2 ))
 ASSI { 3847}
   (( segid "B   " and resid 78   and name HA  ))
   (  segid "C   " and resid 1917  and name HD2%)
      3.600     1.600     1.600 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.13199E-02 ppm1      4.343 ppm2      1.021 CV     1
 OR { 3847}
   (( segid "B   " and resid 78   and name HA  ))
   (( segid "B   " and resid 77   and name HG23))
 OR { 3847}
   (( segid "B   " and resid 78   and name HA  ))
   (( segid "B   " and resid 77   and name HG21))
 ASSI { 3848}
   (( segid "B   " and resid 78   and name HA  ))
   (  segid "C   " and resid 1921  and name HD1%)
      3.500     1.500     1.500 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.11922E-02 ppm1      4.336 ppm2      0.917 CV     1
 OR { 3848}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 37   and name HD12))
 OR { 3848}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3848}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3848}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3848}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 37   and name HD11))
 ASSI { 3849}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HE3 ))
      3.500     1.600     1.600 peak  3849 spectrum    1 weight  0.10000E+01 volume  0.11369E-02 ppm1      4.338 ppm2      3.037 CV     1
 OR { 3849}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HE3 ))
 OR { 3849}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 22   and name HE2 ))
 OR { 3849}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HE2 ))
 ASSI { 3850}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.000     1.200     1.200 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.27008E-02 ppm1      4.352 ppm2      2.940 CV     1
 OR { 3850}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI { 3854}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 29   and name HD21))
      2.900     1.100     1.100 peak  3854 spectrum    1 weight  0.10000E+01 volume  0.14961E-02 ppm1      2.934 ppm2      0.288 CV     1
 OR { 3854}
   (( segid "A   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 29   and name HD21))
 OR { 3854}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 29   and name HD22))
 OR { 3854}
   (( segid "A   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 29   and name HD22))
 OR { 3854}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 29   and name HD23))
 ASSI { 3855}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 37   and name HD12))
      3.100     1.200     1.200 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      2.939 ppm2      0.911 CV     1
 OR { 3855}
   (( segid "A   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 37   and name HD12))
 OR { 3855}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 37   and name HD13))
 OR { 3855}
   (( segid "A   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 37   and name HD13))
 OR { 3855}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 37   and name HD11))
 ASSI { 3857}
   (( segid "A   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 19   and name HB3 ))
      2.100     0.600     0.600 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.21698E-02 ppm1      2.932 ppm2      2.347 CV     1
 OR { 3857}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 19   and name HB3 ))
 ASSI { 3861}
   (( segid "A   " and resid 19   and name HB3 ))
   (( segid "A   " and resid 19   and name H   ))
      4.100     2.100     1.900 peak  3861 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      2.352 ppm2      6.853 CV     1
 OR { 3861}
   (( segid "B   " and resid 19   and name HB3 ))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3861}
   (( segid "A   " and resid 19   and name HB3 ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 3869}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name H   ))
      3.000     1.200     1.200 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.22521E-02 ppm1      4.357 ppm2      6.863 CV     1
 OR { 3869}
   (( segid "B   " and resid 19   and name HA  ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3875}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HE3 ))
      4.200     2.200     1.800 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      1.906 ppm2      2.953 CV     1
 OR { 3875}
   (( segid "A   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 18   and name HE3 ))
 OR { 3875}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 18   and name HE3 ))
 OR { 3875}
   (( segid "B   " and resid 18   and name HB3 ))
   (( segid "B   " and resid 18   and name HE2 ))
 OR { 3875}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 18   and name HE2 ))
 OR { 3875}
   (( segid "A   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 18   and name HE2 ))
 ASSI { 3878}
   (( segid "A   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 19   and name H   ))
      3.800     1.800     1.800 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.22738E-02 ppm1      1.915 ppm2      6.851 CV     1
 OR { 3878}
   (( segid "B   " and resid 18   and name HB2 ))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3878}
   (( segid "A   " and resid 18   and name HB2 ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI { 3882}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 91   and name H   ))
      3.400     1.400     1.400 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.13346E-02 ppm1      3.936 ppm2      8.025 CV     1
 OR { 3882}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 93   and name H   ))
 ASSI { 3897}
   (( segid "A   " and resid 18   and name HD3 ))
   (  segid "A   " and resid 19   and name HE% )
      2.600     0.900     0.900 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.20115E-02 ppm1      1.670 ppm2      6.847 CV     1
 OR { 3897}
   (( segid "B   " and resid 18   and name HD3 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3898}
   (( segid "A   " and resid 18   and name HD2 ))
   (  segid "A   " and resid 19   and name HE% )
      3.900     1.900     1.900 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.18089E-02 ppm1      1.741 ppm2      6.845 CV     1
 OR { 3898}
   (( segid "B   " and resid 18   and name HD2 ))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3898}
   (( segid "B   " and resid 18   and name HD2 ))
   (( segid "B   " and resid 19   and name H   ))
 ASSI { 3899}
   (( segid "A   " and resid 18   and name HE2 ))
   (  segid "A   " and resid 19   and name HE% )
      3.200     1.300     1.300 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.27073E-02 ppm1      2.957 ppm2      6.848 CV     1
 OR { 3899}
   (( segid "B   " and resid 18   and name HE2 ))
   (  segid "B   " and resid 19   and name HE% )
 OR { 3899}
   (( segid "A   " and resid 18   and name HE3 ))
   (  segid "A   " and resid 19   and name HE% )
 OR { 3899}
   (( segid "B   " and resid 18   and name HE3 ))
   (  segid "B   " and resid 19   and name HE% )
 ASSI { 3907}
   (( segid "B   " and resid 18   and name HE3 ))
   (( segid "B   " and resid 18   and name HB3 ))
      3.900     1.900     1.900 peak  3907 spectrum    1 weight  0.10000E+01 volume  0.24234E-02 ppm1      2.953 ppm2      1.905 CV     1
 OR { 3907}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HB2 ))
 OR { 3907}
   (( segid "B   " and resid 18   and name HE3 ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR { 3907}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR { 3907}
   (( segid "A   " and resid 18   and name HE2 ))
   (( segid "A   " and resid 18   and name HB2 ))
 ASSI { 3908}
   (( segid "B   " and resid 18   and name HE3 ))
   (( segid "B   " and resid 18   and name HD2 ))
      2.300     0.600     0.600 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.10157E-01 ppm1      2.958 ppm2      1.737 CV     1
 OR { 3908}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HD2 ))
 OR { 3908}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name HD2 ))
 OR { 3908}
   (( segid "A   " and resid 18   and name HE2 ))
   (( segid "A   " and resid 18   and name HD2 ))
 ASSI { 3909}
   (( segid "A   " and resid 18   and name HE2 ))
   (( segid "A   " and resid 18   and name HD3 ))
      2.200     0.600     0.600 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.91386E-02 ppm1      2.959 ppm2      1.680 CV     1
 OR { 3909}
   (( segid "B   " and resid 18   and name HE2 ))
   (( segid "B   " and resid 18   and name HD3 ))
 OR { 3909}
   (( segid "A   " and resid 18   and name HE3 ))
   (( segid "A   " and resid 18   and name HD3 ))
 OR { 3909}
   (( segid "B   " and resid 18   and name HE3 ))
   (( segid "B   " and resid 18   and name HD3 ))
 ASSI { 3960}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 17   and name H   ))
      2.500     0.800     0.800 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.19244E-02 ppm1      2.596 ppm2      6.995 CV     1
 OR { 3960}
   (( segid "B   " and resid 16   and name HB3 ))
   (( segid "B   " and resid 16   and name H   ))
 ASSI { 3961}
   (( segid "B   " and resid 16   and name HB3 ))
   (( segid "B   " and resid 17   and name H   ))
      2.700     0.900     0.900 peak  3961 spectrum    1 weight  0.10000E+01 volume  0.13756E-02 ppm1      2.601 ppm2      7.053 CV     1
 OR { 3961}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 16   and name H   ))
 ASSI { 3962}
   (( segid "B   " and resid 16   and name HB3 ))
   (  segid "B   " and resid 16   and name HD% )
      3.300     1.300     1.300 peak  3962 spectrum    1 weight  0.10000E+01 volume  0.97304E-03 ppm1      2.599 ppm2      5.634 CV     1
 OR { 3962}
   (( segid "A   " and resid 16   and name HB3 ))
   (  segid "A   " and resid 16   and name HD% )
 ASSI { 3983}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 18   and name HB3 ))
      4.100     2.100     1.900 peak  3983 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      4.010 ppm2      1.906 CV     1
 OR { 3983}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 18   and name HB2 ))
 OR { 3983}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI { 3984}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 18   and name HD2 ))
      4.600     2.700     1.400 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.67759E-03 ppm1      4.009 ppm2      1.733 CV     1
 OR { 3984}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 18   and name HD2 ))
 OR { 3984}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI { 3985}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 15   and name HG23))
      2.500     0.800     0.800 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.39602E-02 ppm1      4.009 ppm2      1.526 CV     1
 OR { 3985}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG23))
 OR { 3985}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 15   and name HG21))
 OR { 3985}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
 OR { 3985}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG22))
 ASSI { 3991}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 41   and name HB3 ))
      3.600     1.600     1.600 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.41401E-02 ppm1      1.523 ppm2      2.182 CV     1
 OR { 3991}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 40   and name HB2 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 36   and name HB3 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 36   and name HB2 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 36   and name HB2 ))
 OR { 3991}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 36   and name HB2 ))
 ASSI { 3998}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 41   and name H   ))
      3.800     1.800     1.800 peak  3998 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      1.518 ppm2      8.520 CV     1
 OR { 3998}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 41   and name H   ))
 OR { 3998}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 41   and name H   ))
 OR { 3998}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 20   and name H   ))
 OR { 3998}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 20   and name H   ))
 OR { 3998}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 38   and name H   ))
 OR { 3998}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 4001}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 18   and name H   ))
      4.200     2.200     1.800 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.11224E-02 ppm1      1.520 ppm2      7.929 CV     1
 OR { 4001}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 18   and name H   ))
 OR { 4001}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 18   and name H   ))
 OR { 4001}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 37   and name H   ))
 OR { 4001}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 37   and name H   ))
 ASSI { 4004}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 41   and name HA  ))
      4.400     2.500     1.600 peak  4004 spectrum    1 weight  0.10000E+01 volume  0.90605E-03 ppm1      1.523 ppm2      4.938 CV     1
 OR { 4004}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 41   and name HA  ))
 OR { 4004}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 41   and name HA  ))
 OR { 4004}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 3    and name HA  ))
 ASSI { 4006}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 19   and name HB2 ))
      3.800     1.800     1.800 peak  4006 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      1.529 ppm2      2.953 CV     1
 OR { 4006}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 18   and name HE2 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 18   and name HE2 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 18   and name HE3 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 18   and name HE2 ))
 OR { 4006}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 18   and name HE3 ))
 ASSI { 4012}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "B   " and resid 5    and name HG  ))
      2.900     1.100     1.100 peak  4012 spectrum    1 weight  0.10000E+01 volume  0.22890E-02 ppm1      1.531 ppm2      1.832 CV     1
 OR { 4012}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "B   " and resid 5    and name HG  ))
 OR { 4012}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "B   " and resid 5    and name HG  ))
 OR { 4012}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 18   and name HB3 ))
 OR { 4012}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 18   and name HB3 ))
 OR { 4012}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 18   and name HB3 ))
 ASSI { 4019}
   (( segid "A   " and resid 15   and name HG23))
   (( segid "A   " and resid 37   and name H   ))
      4.900     3.000     1.100 peak  4019 spectrum    1 weight  0.10000E+01 volume  0.74197E-03 ppm1      1.531 ppm2      7.941 CV     1
 OR { 4019}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 37   and name H   ))
 OR { 4019}
   (( segid "A   " and resid 15   and name HG21))
   (( segid "A   " and resid 37   and name H   ))
 OR { 4019}
   (( segid "A   " and resid 15   and name HG22))
   (( segid "A   " and resid 39   and name H   ))
 ASSI { 4036}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG11))
      2.500     0.800     0.800 peak  4036 spectrum    1 weight  0.10000E+01 volume  0.57008E-02 ppm1      4.080 ppm2      1.278 CV     1
 OR { 4036}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4036}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4036}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4036}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG12))
 ASSI { 4037}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG22))
      3.000     1.100     1.100 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.52087E-02 ppm1      4.082 ppm2      0.852 CV     1
 OR { 4037}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG22))
 OR { 4037}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG21))
 OR { 4037}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG23))
 OR { 4037}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HG23))
 ASSI { 4038}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB  ))
      2.500     0.800     0.800 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      4.083 ppm2      2.391 CV     1
 OR { 4038}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HB  ))
 ASSI { 4040}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "A   " and resid 83   and name HB2 ))
      3.700     1.700     1.700 peak  4040 spectrum    1 weight  0.10000E+01 volume  0.13842E-02 ppm1      4.083 ppm2      1.739 CV     1
 OR { 4040}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4040}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "A   " and resid 83   and name HB3 ))
 OR { 4040}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4040}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "B   " and resid 83   and name HB2 ))
 ASSI { 4042}
   (( segid "A   " and resid 13   and name HB  ))
   (( segid "A   " and resid 13   and name HG13))
      2.400     0.700     0.700 peak  4042 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      2.393 ppm2      1.278 CV     1
 OR { 4042}
   (( segid "B   " and resid 13   and name HB  ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4042}
   (( segid "A   " and resid 13   and name HB  ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4042}
   (( segid "B   " and resid 13   and name HB  ))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4042}
   (( segid "A   " and resid 13   and name HB  ))
   (( segid "A   " and resid 13   and name HG11))
 ASSI { 4043}
   (( segid "B   " and resid 13   and name HB  ))
   (( segid "B   " and resid 10   and name HA  ))
      4.700     2.700     1.300 peak  4043 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      2.393 ppm2      4.584 CV     1
 OR { 4043}
   (( segid "A   " and resid 13   and name HB  ))
   (( segid "A   " and resid 10   and name HA  ))
 ASSI { 4057}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name H   ))
      3.900     1.900     1.900 peak  4057 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      1.285 ppm2      8.806 CV     1
 OR { 4057}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4057}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 12   and name H   ))
 OR { 4057}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 83   and name H   ))
 OR { 4057}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 83   and name H   ))
 ASSI { 4059}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.49162E-02 ppm1      1.281 ppm2      4.259 CV     1
 OR { 4059}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 87   and name HA  ))
 OR { 4059}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 87   and name HA  ))
 OR { 4059}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4059}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4059}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4059}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 86   and name HA  ))
 ASSI { 4061}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak  4061 spectrum    1 weight  0.10000E+01 volume  0.13318E-01 ppm1      1.279 ppm2      4.080 CV     1
 OR { 4061}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 13   and name HA  ))
 OR { 4061}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 13   and name HA  ))
 OR { 4061}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 84   and name HA  ))
 OR { 4061}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 84   and name HA  ))
 ASSI { 4066}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 91   and name HB2 ))
      3.700     1.700     1.700 peak  4066 spectrum    1 weight  0.10000E+01 volume  0.17516E-02 ppm1      1.277 ppm2      1.885 CV     1
 OR { 4066}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 91   and name HB2 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 91   and name HB2 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4066}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 12   and name HE1 ))
 ASSI { 4067}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 91   and name HB3 ))
      4.000     2.000     2.000 peak  4067 spectrum    1 weight  0.10000E+01 volume  0.11718E-02 ppm1      1.284 ppm2      1.800 CV     1
 OR { 4067}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 91   and name HB3 ))
 OR { 4067}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 91   and name HB3 ))
 OR { 4067}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "C   " and resid 1918  and name HD3 ))
 ASSI { 4069}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 12   and name HG2 ))
      4.500     2.600     1.500 peak  4069 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      1.281 ppm2      2.839 CV     1
 OR { 4069}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4069}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 84   and name HG3 ))
 OR { 4069}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "B   " and resid 84   and name HG3 ))
 OR { 4069}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 84   and name HG3 ))
 ASSI { 4070}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "A   " and resid 72   and name HA  ))
      3.500     1.600     1.600 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.30758E-02 ppm1      1.273 ppm2      3.242 CV     1
 OR { 4070}
   (( segid "A   " and resid 13   and name HG11))
   (( segid "A   " and resid 72   and name HA  ))
 OR { 4070}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "A   " and resid 72   and name HA  ))
 OR { 4070}
   (( segid "A   " and resid 13   and name HG12))
   (( segid "B   " and resid 89   and name HB2 ))
 OR { 4070}
   (( segid "A   " and resid 13   and name HG13))
   (( segid "B   " and resid 89   and name HB2 ))
 ASSI { 4075}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 13   and name HG12))
      1.900     0.500     0.500 peak  4075 spectrum    1 weight  0.10000E+01 volume  0.30823E-01 ppm1      0.853 ppm2      1.278 CV     1
 OR { 4075}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4075}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4075}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4075}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4075}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4075}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4075}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 13   and name HG13))
 ASSI { 4076}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 91   and name HB2 ))
      4.200     2.300     1.800 peak  4076 spectrum    1 weight  0.10000E+01 volume  0.71162E-03 ppm1      0.852 ppm2      1.892 CV     1
 OR { 4076}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 91   and name HB2 ))
 OR { 4076}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 18   and name HB2 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 91   and name HB2 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4076}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 18   and name HB3 ))
 OR { 4076}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 18   and name HB2 ))
 OR { 4076}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 18   and name HB3 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4076}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI { 4077}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 83   and name HB3 ))
      3.400     1.500     1.500 peak  4077 spectrum    1 weight  0.10000E+01 volume  0.43829E-02 ppm1      0.853 ppm2      1.749 CV     1
 OR { 4077}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 4077}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 83   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 87   and name HB3 ))
 OR { 4077}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 83   and name HB2 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4077}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 83   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 83   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 83   and name HB2 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 83   and name HB1 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 87   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 87   and name HB3 ))
 OR { 4077}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 83   and name HB3 ))
 ASSI { 4078}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 91   and name HB3 ))
      3.700     1.700     1.700 peak  4078 spectrum    1 weight  0.10000E+01 volume  0.14122E-02 ppm1      0.857 ppm2      1.801 CV     1
 OR { 4078}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "B   " and resid 91   and name HB3 ))
 OR { 4078}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "B   " and resid 91   and name HB3 ))
 OR { 4078}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 18   and name HB3 ))
 OR { 4078}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 18   and name HB3 ))
 OR { 4078}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 5    and name HG  ))
 OR { 4078}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 5    and name HG  ))
 OR { 4078}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 18   and name HB3 ))
 ASSI { 4079}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 13   and name HB  ))
      1.900     0.500     0.500 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.17141E-01 ppm1      0.854 ppm2      2.391 CV     1
 OR { 4079}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 13   and name HB  ))
 OR { 4079}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 13   and name HB  ))
 OR { 4079}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 13   and name HB  ))
 OR { 4079}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 13   and name HB  ))
 ASSI { 4084}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak  4084 spectrum    1 weight  0.10000E+01 volume  0.81762E-03 ppm1      0.851 ppm2      2.584 CV     1
 OR { 4084}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 16   and name HB3 ))
 OR { 4084}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4084}
   (( segid "A   " and resid 13   and name HG22))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4084}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI { 4085}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 86   and name HB3 ))
      2.800     1.000     1.000 peak  4085 spectrum    1 weight  0.10000E+01 volume  0.19777E-02 ppm1      0.855 ppm2      3.096 CV     1
 OR { 4085}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 86   and name HB3 ))
 OR { 4085}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 86   and name HB3 ))
 OR { 4085}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 86   and name HB3 ))
 ASSI { 4086}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  4086 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      0.854 ppm2      4.578 CV     1
 OR { 4086}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 10   and name HA  ))
 OR { 4086}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 10   and name HA  ))
 OR { 4086}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 10   and name HA  ))
 OR { 4086}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 10   and name HA  ))
 ASSI { 4087}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  4087 spectrum    1 weight  0.10000E+01 volume  0.90973E-02 ppm1      0.854 ppm2      4.257 CV     1
 OR { 4087}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "A   " and resid 87   and name HA  ))
 OR { 4087}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 87   and name HA  ))
 OR { 4087}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4087}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "B   " and resid 87   and name HA  ))
 OR { 4087}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 9    and name HA  ))
 ASSI { 4092}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "A   " and resid 87   and name H   ))
      3.500     1.500     1.500 peak  4092 spectrum    1 weight  0.10000E+01 volume  0.21186E-02 ppm1      0.854 ppm2      8.680 CV     1
 OR { 4092}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4092}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "A   " and resid 87   and name H   ))
 OR { 4092}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4092}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4101}
   (( segid "A   " and resid 13   and name HG22))
   (  segid "B   " and resid 90   and name HE% )
      3.100     1.200     1.200 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.23323E-02 ppm1      0.856 ppm2      7.143 CV     1
 OR { 4101}
   (( segid "B   " and resid 13   and name HG22))
   (  segid "A   " and resid 90   and name HE% )
 OR { 4101}
   (( segid "A   " and resid 13   and name HG23))
   (  segid "B   " and resid 90   and name HE% )
 OR { 4101}
   (( segid "B   " and resid 13   and name HG23))
   (  segid "A   " and resid 90   and name HE% )
 OR { 4101}
   (( segid "A   " and resid 13   and name HG21))
   (  segid "B   " and resid 90   and name HE% )
 ASSI { 4102}
   (( segid "A   " and resid 13   and name HG23))
   (  segid "A   " and resid 72   and name HE% )
      3.500     1.500     1.500 peak  4102 spectrum    1 weight  0.10000E+01 volume  0.51287E-02 ppm1      0.854 ppm2      6.999 CV     1
 OR { 4102}
   (( segid "A   " and resid 13   and name HG21))
   (  segid "A   " and resid 72   and name HE% )
 OR { 4102}
   (( segid "A   " and resid 13   and name HG22))
   (  segid "A   " and resid 72   and name HE% )
 OR { 4102}
   (( segid "B   " and resid 13   and name HG23))
   (  segid "B   " and resid 72   and name HE% )
 OR { 4102}
   (( segid "B   " and resid 13   and name HG21))
   (  segid "B   " and resid 72   and name HE% )
 ASSI { 4103}
   (( segid "B   " and resid 13   and name HG23))
   (( segid "B   " and resid 72   and name HZ  ))
      3.200     1.300     1.300 peak  4103 spectrum    1 weight  0.10000E+01 volume  0.82239E-02 ppm1      0.854 ppm2      6.925 CV     1
 OR { 4103}
   (( segid "A   " and resid 13   and name HG23))
   (( segid "A   " and resid 72   and name HZ  ))
 OR { 4103}
   (( segid "A   " and resid 13   and name HG21))
   (( segid "A   " and resid 72   and name HZ  ))
 OR { 4103}
   (( segid "B   " and resid 13   and name HG21))
   (( segid "B   " and resid 72   and name HZ  ))
 OR { 4103}
   (( segid "B   " and resid 13   and name HG22))
   (( segid "B   " and resid 72   and name HZ  ))
 ASSI { 4112}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 79   and name HG  ))
      4.300     2.300     1.700 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.82130E-03 ppm1      4.049 ppm2      1.261 CV     1
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4112}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4112}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4112}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4112}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 11   and name HG13))
 ASSI { 4116}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 9    and name HD12))
      4.000     2.000     2.000 peak  4116 spectrum    1 weight  0.10000E+01 volume  0.11557E-02 ppm1      2.398 ppm2      0.818 CV     1
 OR { 4116}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB3 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4116}
   (( segid "B   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 9    and name HD13))
 ASSI { 4127}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak  4127 spectrum    1 weight  0.10000E+01 volume  0.80851E-03 ppm1      2.697 ppm2      4.154 CV     1
 OR { 4127}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4130}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HE1 ))
      2.600     0.800     0.800 peak  4130 spectrum    1 weight  0.10000E+01 volume  0.28829E-02 ppm1      2.697 ppm2      1.878 CV     1
 OR { 4130}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4130}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4130}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI { 4135}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 13   and name HG11))
      3.500     1.500     1.500 peak  4135 spectrum    1 weight  0.10000E+01 volume  0.34249E-02 ppm1      2.396 ppm2      1.264 CV     1
 OR { 4135}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4135}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4135}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4135}
   (( segid "B   " and resid 12   and name HG3 ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD21))
      3.100     1.200     1.200 peak  4145 spectrum    1 weight  0.10000E+01 volume  0.30325E-02 ppm1      1.878 ppm2      0.675 CV     1
 OR { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4145}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 42   and name HD21))
 ASSI { 4146}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HD12))
      2.500     2.500     3.500 peak  4146 spectrum    1 weight  0.10000E+01 volume  0.24364E-02 ppm1      1.879 ppm2      0.559 CV     1
 OR { 4146}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 82   and name HG12))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 82   and name HG12))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 82   and name HG12))
 OR { 4146}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 62   and name HD13))
 ASSI { 4147}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name HD12))
      2.200     0.600     0.600 peak  4147 spectrum    1 weight  0.10000E+01 volume  0.15405E-01 ppm1      1.878 ppm2      0.817 CV     1
 OR { 4147}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4147}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD13))
 ASSI { 4148}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HB3 ))
      2.200     0.600     0.600 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.87115E-02 ppm1      1.878 ppm2      1.030 CV     1
 OR { 4148}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4148}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4148}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4148}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4148}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 5    and name HD12))
 ASSI { 4149}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HG  ))
      2.300     2.300     3.700 peak  4149 spectrum    1 weight  0.10000E+01 volume  0.39105E-02 ppm1      1.878 ppm2      1.266 CV     1
 OR { 4149}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4149}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG13))
 ASSI { 4156}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.400     1.500     1.500 peak  4156 spectrum    1 weight  0.10000E+01 volume  0.30086E-02 ppm1      1.878 ppm2      3.429 CV     1
 OR { 4156}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR { 4156}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR { 4156}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR { 4156}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR { 4156}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 4159}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  4159 spectrum    1 weight  0.10000E+01 volume  0.42159E-02 ppm1      1.878 ppm2      4.143 CV     1
 OR { 4159}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4159}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4159}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4164}
   (( segid "B   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 78   and name HD% )
      3.600     1.600     1.600 peak  4164 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      1.878 ppm2      7.003 CV     1
 OR { 4164}
   (( segid "B   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 72   and name HE% )
 OR { 4164}
   (( segid "B   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 78   and name HD% )
 OR { 4164}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 4165}
   (( segid "B   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 75   and name HD% )
      3.400     1.500     1.500 peak  4165 spectrum    1 weight  0.10000E+01 volume  0.34659E-02 ppm1      1.878 ppm2      6.914 CV     1
 OR { 4165}
   (( segid "B   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 75   and name HD% )
 OR { 4165}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 75   and name HD% )
 OR { 4165}
   (( segid "B   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 78   and name HE% )
 OR { 4165}
   (( segid "B   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 78   and name HE% )
 ASSI { 4167}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 82   and name H   ))
      3.200     1.300     1.300 peak  4167 spectrum    1 weight  0.10000E+01 volume  0.11456E-02 ppm1      1.879 ppm2      7.812 CV     1
 OR { 4167}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4167}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4167}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4169}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 81   and name H   ))
      3.600     1.600     1.600 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.29826E-02 ppm1      1.878 ppm2      8.581 CV     1
 OR { 4169}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 79   and name H   ))
 OR { 4169}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 81   and name H   ))
 OR { 4169}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 79   and name H   ))
 OR { 4169}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 79   and name H   ))
 ASSI { 4174}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name H   ))
      2.800     2.800     3.200 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.79269E-03 ppm1      1.879 ppm2      7.745 CV     1
 OR { 4174}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4174}
   (( segid "B   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4174}
   (( segid "B   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 10   and name H   ))
 ASSI { 4189}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 13   and name HG11))
      3.800     1.800     1.800 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.61496E-03 ppm1      2.574 ppm2      1.267 CV     1
 OR { 4189}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4189}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4189}
   (( segid "A   " and resid 12   and name HB2 ))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI { 4203}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HD12))
      4.700     2.700     1.300 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.42918E-03 ppm1      2.841 ppm2      0.825 CV     1
 OR { 4203}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4203}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4203}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4203}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 9    and name HD11))
 ASSI { 4216}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD21))
      3.400     1.400     1.400 peak  4216 spectrum    1 weight  0.10000E+01 volume  0.40232E-02 ppm1      1.891 ppm2      0.673 CV     1
 OR { 4216}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4216}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD23))
 ASSI { 4217}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD12))
      2.000     0.500     0.500 peak  4217 spectrum    1 weight  0.10000E+01 volume  0.27919E-01 ppm1      1.892 ppm2      0.817 CV     1
 OR { 4217}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4217}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 9    and name HD13))
 ASSI { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 11   and name HG22))
      3.400     1.400     1.400 peak  4219 spectrum    1 weight  0.10000E+01 volume  0.27442E-02 ppm1      1.891 ppm2      0.951 CV     1
 OR { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4219}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 11   and name HG22))
 ASSI { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD23))
      3.100     1.200     1.200 peak  4220 spectrum    1 weight  0.10000E+01 volume  0.65418E-02 ppm1      1.892 ppm2      1.088 CV     1
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4220}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 5    and name HD23))
 ASSI { 4221}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 79   and name HG  ))
      3.200     1.200     1.200 peak  4221 spectrum    1 weight  0.10000E+01 volume  0.50744E-02 ppm1      1.892 ppm2      1.271 CV     1
 OR { 4221}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4221}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4221}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4221}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4221}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4221}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 13   and name HG11))
 ASSI { 4227}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak  4227 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      1.893 ppm2      3.159 CV     1
 OR { 4227}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 76   and name HB2 ))
 OR { 4227}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 76   and name HB2 ))
 OR { 4227}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 81   and name HB2 ))
 ASSI { 4228}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.700     1.700     1.700 peak  4228 spectrum    1 weight  0.10000E+01 volume  0.17440E-02 ppm1      1.892 ppm2      3.432 CV     1
 OR { 4228}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR { 4228}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR { 4228}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR { 4228}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 80   and name HB3 ))
 OR { 4228}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 80   and name HB3 ))
 OR { 4228}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 4231}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.66351E-02 ppm1      1.891 ppm2      3.573 CV     1
 OR { 4231}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 76   and name HA  ))
 OR { 4231}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 76   and name HA  ))
 OR { 4231}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 76   and name HA  ))
 OR { 4231}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 76   and name HA  ))
 ASSI { 4234}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.80418E-02 ppm1      1.892 ppm2      4.261 CV     1
 OR { 4234}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4234}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 4234}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 80   and name HB2 ))
 OR { 4234}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 4235}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak  4235 spectrum    1 weight  0.10000E+01 volume  0.61712E-02 ppm1      1.891 ppm2      4.150 CV     1
 OR { 4235}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4235}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4235}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4235}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4235}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4235}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4238}
   (( segid "A   " and resid 12   and name HE3 ))
   (  segid "A   " and resid 75   and name HD% )
      3.700     1.700     1.700 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.22500E-02 ppm1      1.891 ppm2      6.928 CV     1
 OR { 4238}
   (( segid "A   " and resid 12   and name HE1 ))
   (  segid "A   " and resid 75   and name HD% )
 OR { 4238}
   (( segid "A   " and resid 12   and name HE2 ))
   (  segid "A   " and resid 75   and name HD% )
 OR { 4238}
   (( segid "A   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 75   and name HD% )
 OR { 4238}
   (( segid "A   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 75   and name HD% )
 OR { 4238}
   (( segid "A   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 75   and name HD% )
 ASSI { 4241}
   (( segid "A   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 78   and name HD% )
      4.000     2.000     2.000 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.16888E-02 ppm1      1.892 ppm2      7.003 CV     1
 OR { 4241}
   (( segid "A   " and resid 12   and name HE3 ))
   (  segid "A   " and resid 72   and name HE% )
 OR { 4241}
   (( segid "A   " and resid 12   and name HE2 ))
   (  segid "A   " and resid 72   and name HE% )
 OR { 4241}
   (( segid "A   " and resid 12   and name HE1 ))
   (  segid "A   " and resid 72   and name HE% )
 OR { 4241}
   (( segid "A   " and resid 12   and name HE3 ))
   (  segid "B   " and resid 78   and name HD% )
 OR { 4241}
   (( segid "A   " and resid 12   and name HE1 ))
   (  segid "B   " and resid 78   and name HD% )
 ASSI { 4242}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 9    and name H   ))
      3.400     1.400     1.400 peak  4242 spectrum    1 weight  0.10000E+01 volume  0.22001E-02 ppm1      1.892 ppm2      7.826 CV     1
 OR { 4242}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4242}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4242}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 82   and name H   ))
 OR { 4242}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 82   and name H   ))
 ASSI { 4247}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 76   and name H   ))
      3.400     3.400     2.600 peak  4247 spectrum    1 weight  0.10000E+01 volume  0.36829E-02 ppm1      1.891 ppm2      8.451 CV     1
 OR { 4247}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4247}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4247}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4247}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4247}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "A   " and resid 11   and name H   ))
 ASSI { 4249}
   (( segid "A   " and resid 12   and name HE3 ))
   (( segid "B   " and resid 84   and name H   ))
      3.800     1.800     1.800 peak  4249 spectrum    1 weight  0.10000E+01 volume  0.19970E-02 ppm1      1.891 ppm2      8.677 CV     1
 OR { 4249}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 84   and name H   ))
 OR { 4249}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 84   and name H   ))
 OR { 4249}
   (( segid "A   " and resid 12   and name HE1 ))
   (( segid "B   " and resid 12   and name H   ))
 OR { 4249}
   (( segid "A   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name H   ))
 ASSI { 4253}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB  ))
      2.400     0.700     0.700 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.32925E-02 ppm1      3.941 ppm2      2.375 CV     1
 OR { 4253}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4254}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HG11))
      2.200     0.600     0.600 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.12303E-01 ppm1      3.945 ppm2      1.258 CV     1
 OR { 4254}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4254}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4254}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4254}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HG13))
 ASSI { 4257}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG23))
      2.200     0.600     0.600 peak  4257 spectrum    1 weight  0.10000E+01 volume  0.56640E-02 ppm1      2.372 ppm2      0.946 CV     1
 OR { 4257}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4257}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4257}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4257}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG21))
 ASSI { 4258}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 11   and name HG13))
      2.100     0.600     0.600 peak  4258 spectrum    1 weight  0.10000E+01 volume  0.79421E-02 ppm1      2.374 ppm2      1.258 CV     1
 OR { 4258}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4258}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4258}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4258}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 11   and name HG12))
 ASSI { 4259}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HB3 ))
      3.500     1.500     1.500 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.43134E-02 ppm1      2.375 ppm2      1.690 CV     1
 OR { 4259}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4259}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4259}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4259}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4259}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4259}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4259}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HB2 ))
 ASSI { 4261}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name H   ))
      3.300     1.400     1.400 peak  4261 spectrum    1 weight  0.10000E+01 volume  0.19781E-02 ppm1      0.938 ppm2      8.306 CV     1
 OR { 4261}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4261}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4261}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 13   and name H   ))
 OR { 4261}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 13   and name H   ))
 ASSI { 4263}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name H   ))
      3.200     1.300     1.300 peak  4263 spectrum    1 weight  0.10000E+01 volume  0.21893E-02 ppm1      0.954 ppm2      8.239 CV     1
 OR { 4263}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4263}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4263}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4263}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4263}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4264}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 10   and name H   ))
      3.900     1.900     1.900 peak  4264 spectrum    1 weight  0.10000E+01 volume  0.97759E-03 ppm1      0.958 ppm2      7.750 CV     1
 OR { 4264}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 10   and name H   ))
 OR { 4264}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 10   and name H   ))
 OR { 4264}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4264}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4264}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 9    and name H   ))
 OR { 4264}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 9    and name H   ))
 ASSI { 4272}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 10   and name HB3 ))
      3.400     1.500     1.500 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.84819E-03 ppm1      3.954 ppm2      3.038 CV     1
 OR { 4272}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "B   " and resid 8    and name HB3 ))
      4.500     2.500     1.500 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      3.946 ppm2      1.690 CV     1
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4274}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4274}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4274}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 18   and name HD3 ))
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4274}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 8    and name HB3 ))
 ASSI { 4279}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "A   " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.25621E-02 ppm1      2.380 ppm2      4.159 CV     1
 OR { 4279}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4279}
   (( segid "B   " and resid 11   and name HB  ))
   (( segid "B   " and resid 14   and name HA  ))
 OR { 4279}
   (( segid "A   " and resid 11   and name HB  ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4280}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 11   and name HG21))
      1.700     0.400     0.500 peak  4280 spectrum    1 weight  0.10000E+01 volume  0.54861E-01 ppm1      1.258 ppm2      0.946 CV     1
 OR { 4280}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4280}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4280}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4280}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4280}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4280}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4280}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 11   and name HG22))
 ASSI { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB3 ))
      2.700     0.900     0.900 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.15349E-01 ppm1      1.259 ppm2      1.691 CV     1
 OR { 4281}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4281}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4281}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HB2 ))
 ASSI { 4283}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HG3 ))
      3.400     1.500     1.500 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.30888E-02 ppm1      1.256 ppm2      1.586 CV     1
 OR { 4283}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HG3 ))
 OR { 4283}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HG3 ))
 OR { 4283}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HG3 ))
 OR { 4283}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HG3 ))
 ASSI { 4284}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HD3 ))
      2.900     1.000     1.000 peak  4284 spectrum    1 weight  0.10000E+01 volume  0.38366E-02 ppm1      1.257 ppm2      1.812 CV     1
 OR { 4284}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HD3 ))
 OR { 4284}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HD3 ))
 OR { 4284}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HD3 ))
 OR { 4284}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 7    and name HD3 ))
 OR { 4284}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HD3 ))
 OR { 4284}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HD2 ))
 OR { 4284}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HD2 ))
 OR { 4284}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HD2 ))
 OR { 4284}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HD2 ))
 OR { 4284}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HD2 ))
 ASSI { 4285}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HB3 ))
      2.100     0.500     0.500 peak  4285 spectrum    1 weight  0.10000E+01 volume  0.88177E-02 ppm1      1.258 ppm2      2.185 CV     1
 OR { 4285}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4285}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4285}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4285}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4285}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4285}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4285}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI { 4286}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak  4286 spectrum    1 weight  0.10000E+01 volume  0.27290E-02 ppm1      1.258 ppm2      2.074 CV     1
 OR { 4286}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4286}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4286}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4286}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4286}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI { 4287}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HB3 ))
      2.600     0.800     0.800 peak  4287 spectrum    1 weight  0.10000E+01 volume  0.21476E-02 ppm1      1.258 ppm2      1.981 CV     1
 OR { 4287}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4287}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4287}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4287}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 7    and name HB3 ))
 ASSI { 4289}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HB2 ))
      2.900     1.000     1.000 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.70836E-02 ppm1      1.258 ppm2      2.551 CV     1
 OR { 4289}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4289}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4289}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4289}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 4    and name HB2 ))
 ASSI { 4290}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 7    and name HE3 ))
      2.300     0.700     0.700 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.11111E-01 ppm1      1.258 ppm2      3.062 CV     1
 OR { 4290}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4290}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4290}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4290}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4290}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4290}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4290}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4290}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4290}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HE2 ))
 ASSI { 4291}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 10   and name HB3 ))
      2.500     0.800     0.800 peak  4291 spectrum    1 weight  0.10000E+01 volume  0.52262E-02 ppm1      1.258 ppm2      3.010 CV     1
 OR { 4291}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 10   and name HB3 ))
 OR { 4291}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 10   and name HB3 ))
 OR { 4291}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 10   and name HB3 ))
 OR { 4291}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 10   and name HB3 ))
 ASSI { 4293}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.51480E-02 ppm1      1.259 ppm2      4.276 CV     1
 OR { 4293}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 7    and name HA  ))
 OR { 4293}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 7    and name HA  ))
 OR { 4293}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4293}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4293}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4293}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 4294}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.12969E-01 ppm1      1.258 ppm2      4.159 CV     1
 OR { 4294}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4294}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI { 4295}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.30541E-02 ppm1      1.258 ppm2      4.336 CV     1
 OR { 4295}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 4    and name HA  ))
 OR { 4295}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 4295}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 4295}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI { 4296}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HD3 ))
      3.400     1.500     1.500 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.40035E-02 ppm1      1.260 ppm2      4.064 CV     1
 OR { 4296}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HD3 ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 4    and name HD2 ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 4    and name HD3 ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 4    and name HD2 ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 4    and name HD2 ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4296}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 4302}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name H   ))
      3.300     1.300     1.300 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.23995E-02 ppm1      1.257 ppm2      8.241 CV     1
 OR { 4302}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4302}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4302}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4302}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4302}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4308}
   (( segid "A   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name H   ))
      3.300     1.300     1.300 peak  4308 spectrum    1 weight  0.10000E+01 volume  0.32884E-02 ppm1      1.256 ppm2      8.303 CV     1
 OR { 4308}
   (( segid "A   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4308}
   (( segid "A   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4308}
   (( segid "B   " and resid 11   and name HG13))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4308}
   (( segid "B   " and resid 11   and name HG12))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4308}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4308}
   (( segid "B   " and resid 11   and name HG11))
   (( segid "B   " and resid 13   and name H   ))
 ASSI { 4309}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 11   and name HB  ))
      1.900     0.500     0.500 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.15663E-01 ppm1      0.950 ppm2      2.373 CV     1
 OR { 4309}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 4309}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 11   and name HB  ))
 OR { 4309}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 4309}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 4309}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4310}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 4    and name HB3 ))
      2.900     1.100     1.100 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.82866E-02 ppm1      0.948 ppm2      2.184 CV     1
 OR { 4310}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4310}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4310}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4310}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI { 4315}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.51393E-02 ppm1      0.951 ppm2      2.554 CV     1
 OR { 4315}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4315}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4315}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4315}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4315}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4315}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI { 4316}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.92816E-02 ppm1      0.950 ppm2      3.944 CV     1
 OR { 4316}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4316}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 11   and name HA  ))
 OR { 4316}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4316}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 11   and name HA  ))
 ASSI { 4317}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 5    and name HA  ))
      2.100     0.500     0.500 peak  4317 spectrum    1 weight  0.10000E+01 volume  0.93837E-02 ppm1      0.948 ppm2      4.292 CV     1
 OR { 4317}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4317}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4317}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4317}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI { 4318}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.31582E-02 ppm1      0.951 ppm2      4.066 CV     1
 OR { 4318}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4318}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4318}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4318}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4318}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4319}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.43222E-02 ppm1      0.949 ppm2      4.159 CV     1
 OR { 4319}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4319}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4323}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 6    and name H   ))
      3.900     1.900     1.900 peak  4323 spectrum    1 weight  0.10000E+01 volume  0.12156E-02 ppm1      0.951 ppm2      7.090 CV     1
 OR { 4323}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4323}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4323}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4323}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4324}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 9    and name H   ))
      4.100     2.100     1.900 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.82520E-03 ppm1      0.942 ppm2      7.824 CV     1
 OR { 4324}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4324}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4324}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4324}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4324}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 9    and name H   ))
 OR { 4324}
   (( segid "A   " and resid 62   and name HD12))
   (( segid "A   " and resid 82   and name H   ))
 ASSI { 4328}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HB3 ))
      2.300     0.700     0.700 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.13617E-01 ppm1      0.950 ppm2      1.688 CV     1
 OR { 4328}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4328}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4328}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 8    and name HB3 ))
 ASSI { 4329}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 15   and name HG21))
      3.800     1.800     1.800 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.23757E-02 ppm1      0.952 ppm2      1.533 CV     1
 OR { 4329}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 15   and name HG21))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 15   and name HG21))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG21))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG23))
   (( segid "B   " and resid 15   and name HG22))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 15   and name HG22))
 OR { 4329}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "B   " and resid 15   and name HG22))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 15   and name HG22))
 OR { 4329}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 15   and name HG22))
 ASSI { 4331}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 7    and name HE3 ))
      3.700     1.700     1.700 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      0.951 ppm2      3.062 CV     1
 OR { 4331}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG22))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG23))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 4331}
   (( segid "A   " and resid 11   and name HG21))
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 4331}
   (( segid "B   " and resid 11   and name HG22))
   (( segid "A   " and resid 86   and name HB3 ))
 ASSI { 4347}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name H   ))
      3.100     1.200     1.200 peak  4347 spectrum    1 weight  0.10000E+01 volume  0.22196E-02 ppm1      4.558 ppm2      8.449 CV     1
 OR { 4347}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 4355}
   (( segid "A   " and resid 96   and name HE3 ))
   (( segid "A   " and resid 96   and name HD2 ))
      2.000     0.500     0.500 peak  4355 spectrum    1 weight  0.10000E+01 volume  0.16805E-01 ppm1      3.027 ppm2      1.721 CV     1
 OR { 4355}
   (( segid "B   " and resid 96   and name HE2 ))
   (( segid "B   " and resid 96   and name HD3 ))
 OR { 4355}
   (( segid "A   " and resid 96   and name HE2 ))
   (( segid "A   " and resid 96   and name HD3 ))
 OR { 4355}
   (( segid "B   " and resid 96   and name HE3 ))
   (( segid "B   " and resid 96   and name HD2 ))
 OR { 4355}
   (( segid "B   " and resid 96   and name HE2 ))
   (( segid "B   " and resid 96   and name HD2 ))
 OR { 4355}
   (( segid "B   " and resid 96   and name HE3 ))
   (( segid "B   " and resid 96   and name HD3 ))
 OR { 4355}
   (( segid "A   " and resid 96   and name HE2 ))
   (( segid "A   " and resid 96   and name HD2 ))
 OR { 4355}
   (( segid "A   " and resid 96   and name HE3 ))
   (( segid "A   " and resid 96   and name HD3 ))
 ASSI { 4371}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 6    and name HA  ))
      3.700     1.700     1.700 peak  4371 spectrum    1 weight  0.10000E+01 volume  0.74197E-03 ppm1      2.188 ppm2      4.068 CV     1
 OR { 4371}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI { 4372}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HG  ))
      2.900     1.000     1.000 peak  4372 spectrum    1 weight  0.10000E+01 volume  0.10708E-02 ppm1      2.184 ppm2      1.918 CV     1
 OR { 4372}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 9    and name HG  ))
 ASSI { 4374}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HD12))
      3.400     1.400     1.400 peak  4374 spectrum    1 weight  0.10000E+01 volume  0.19272E-02 ppm1      2.195 ppm2      0.817 CV     1
 OR { 4374}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4374}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4374}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4374}
   (( segid "B   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 9    and name HD11))
 ASSI { 4399}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "A   " and resid 79   and name HG  ))
      3.300     1.400     1.400 peak  4399 spectrum    1 weight  0.10000E+01 volume  0.33445E-02 ppm1      0.814 ppm2      1.268 CV     1
 OR { 4399}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4399}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4399}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4399}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4399}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 13   and name HG13))
 ASSI { 4403}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 9    and name HG  ))
      1.900     0.400     0.400 peak  4403 spectrum    1 weight  0.10000E+01 volume  0.14790E-01 ppm1      0.815 ppm2      1.896 CV     1
 OR { 4403}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 9    and name HG  ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 9    and name HG  ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4403}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HE3 ))
 ASSI { 4411}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak  4411 spectrum    1 weight  0.10000E+01 volume  0.15282E-02 ppm1      0.814 ppm2      4.065 CV     1
 OR { 4411}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4411}
   (( segid "B   " and resid 9    and name HD11))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4411}
   (( segid "B   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4411}
   (( segid "B   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4425}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 8    and name H   ))
      4.400     2.400     1.600 peak  4425 spectrum    1 weight  0.10000E+01 volume  0.53605E-03 ppm1      0.678 ppm2      8.299 CV     1
 OR { 4425}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4425}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4425}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 80   and name H   ))
 OR { 4425}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 80   and name H   ))
 ASSI { 4426}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 8    and name H   ))
      3.700     1.700     1.700 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.98605E-03 ppm1      0.676 ppm2      8.243 CV     1
 OR { 4426}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4426}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 8    and name H   ))
 OR { 4426}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 80   and name H   ))
 ASSI { 4428}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name HA  ))
      3.600     1.700     1.700 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.21370E-02 ppm1      0.675 ppm2      4.144 CV     1
 OR { 4428}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4428}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 9    and name HA  ))
 OR { 4428}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4428}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4429}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak  4429 spectrum    1 weight  0.10000E+01 volume  0.59868E-02 ppm1      0.674 ppm2      4.066 CV     1
 OR { 4429}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4429}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4429}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4429}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4429}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI { 4431}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 86   and name HB2 ))
      4.200     2.200     1.800 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1      0.676 ppm2      3.226 CV     1
 OR { 4431}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 86   and name HB2 ))
 OR { 4431}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 86   and name HB2 ))
 OR { 4431}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 43   and name HD3 ))
 ASSI { 4432}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name HB2 ))
      2.100     0.600     0.600 peak  4432 spectrum    1 weight  0.10000E+01 volume  0.93249E-02 ppm1      0.674 ppm2      2.185 CV     1
 OR { 4432}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4432}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4432}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4432}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI { 4433}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 12   and name HG3 ))
      3.700     1.700     1.700 peak  4433 spectrum    1 weight  0.10000E+01 volume  0.20577E-02 ppm1      0.676 ppm2      2.407 CV     1
 OR { 4433}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4433}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 12   and name HB2 ))
 OR { 4433}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4433}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4433}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4433}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI { 4434}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 12   and name HB2 ))
      4.400     2.400     1.600 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.90563E-03 ppm1      0.675 ppm2      2.574 CV     1
 OR { 4434}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4434}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4434}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 81   and name HG  ))
 OR { 4434}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 81   and name HG  ))
 OR { 4434}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 81   and name HB3 ))
 ASSI { 4437}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 8    and name HB1 ))
      3.200     1.300     1.300 peak  4437 spectrum    1 weight  0.10000E+01 volume  0.23822E-02 ppm1      0.674 ppm2      1.670 CV     1
 OR { 4437}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4437}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4437}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 11   and name HG12))
      3.600     1.600     1.600 peak  4439 spectrum    1 weight  0.10000E+01 volume  0.12737E-02 ppm1      0.675 ppm2      1.271 CV     1
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 13   and name HG12))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 13   and name HG12))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 13   and name HG11))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4439}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 13   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 13   and name HG13))
 OR { 4439}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 13   and name HG13))
 ASSI { 4441}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name HD13))
      2.000     0.500     0.500 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.21596E-01 ppm1      0.674 ppm2      0.816 CV     1
 OR { 4441}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4441}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4441}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4441}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4441}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4441}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4441}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 9    and name HD12))
 ASSI { 4442}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 82   and name HG13))
      2.400     2.400     3.600 peak  4442 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      0.678 ppm2      1.097 CV     1
 OR { 4442}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4442}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 5    and name HD22))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4442}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 5    and name HD21))
 ASSI { 4443}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 79   and name HD22))
      2.500     0.800     0.800 peak  4443 spectrum    1 weight  0.10000E+01 volume  0.60801E-02 ppm1      0.673 ppm2      0.450 CV     1
 OR { 4443}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4443}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4443}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4443}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 79   and name HD23))
 ASSI { 4472}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 11   and name H   ))
      4.400     2.500     1.600 peak  4472 spectrum    1 weight  0.10000E+01 volume  0.74413E-03 ppm1      0.817 ppm2      8.446 CV     1
 OR { 4472}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4472}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4472}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4472}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4472}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 4477}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      0.819 ppm2      4.065 CV     1
 OR { 4477}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4477}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4477}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HA  ))
 OR { 4477}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4477}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4477}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4478}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 83   and name HA  ))
      3.400     1.400     1.400 peak  4478 spectrum    1 weight  0.10000E+01 volume  0.39451E-02 ppm1      0.819 ppm2      3.948 CV     1
 OR { 4478}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4478}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4478}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 80   and name HA  ))
 ASSI { 4483}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HG3 ))
      3.800     1.800     1.800 peak  4483 spectrum    1 weight  0.10000E+01 volume  0.17239E-02 ppm1      0.819 ppm2      2.382 CV     1
 OR { 4483}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 4483}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI { 4485}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 9    and name HG  ))
      2.000     0.500     0.500 peak  4485 spectrum    1 weight  0.10000E+01 volume  0.11404E-01 ppm1      0.819 ppm2      1.906 CV     1
 OR { 4485}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 9    and name HG  ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4485}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "A   " and resid 12   and name HE1 ))
 ASSI { 4494}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name HD21))
      2.100     0.500     0.500 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.10196E-01 ppm1      0.819 ppm2      0.466 CV     1
 OR { 4494}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD13))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD12))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4494}
   (( segid "A   " and resid 9    and name HD11))
   (( segid "B   " and resid 82   and name HG13))
 ASSI { 4496}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 5    and name HD12))
      2.800     1.000     1.000 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.28005E-02 ppm1      0.671 ppm2      1.050 CV     1
 OR { 4496}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 5    and name HD13))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 5    and name HD12))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 5    and name HD11))
 OR { 4496}
   (( segid "B   " and resid 9    and name HD21))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4496}
   (( segid "B   " and resid 9    and name HD22))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4496}
   (( segid "B   " and resid 9    and name HD23))
   (( segid "A   " and resid 79   and name HB3 ))
 OR { 4496}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "A   " and resid 5    and name HD23))
 ASSI { 4499}
   (( segid "A   " and resid 9    and name HD21))
   (( segid "B   " and resid 83   and name H   ))
      4.500     2.500     1.500 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.92339E-03 ppm1      0.672 ppm2      8.814 CV     1
 OR { 4499}
   (( segid "A   " and resid 9    and name HD23))
   (( segid "B   " and resid 83   and name H   ))
 OR { 4499}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "B   " and resid 83   and name H   ))
 OR { 4499}
   (( segid "A   " and resid 9    and name HD22))
   (( segid "A   " and resid 12   and name H   ))
 ASSI { 4500}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name H   ))
      2.700     0.900     0.900 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.27529E-02 ppm1      4.169 ppm2      8.304 CV     1
 OR { 4500}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name H   ))
 ASSI { 4506}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 9    and name H   ))
      3.200     1.300     1.300 peak  4506 spectrum    1 weight  0.10000E+01 volume  0.20003E-02 ppm1      4.154 ppm2      7.819 CV     1
 OR { 4506}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 10   and name H   ))
 OR { 4506}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "A   " and resid 9    and name H   ))
 ASSI { 4507}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG12))
      3.000     1.100     1.100 peak  4507 spectrum    1 weight  0.10000E+01 volume  0.38259E-02 ppm1      4.161 ppm2      1.258 CV     1
 OR { 4507}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4507}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4507}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4507}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4507}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 4508}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG21))
      2.700     0.900     0.900 peak  4508 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      4.165 ppm2      0.944 CV     1
 OR { 4508}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4508}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4508}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4508}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4508}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4508}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HG21))
 ASSI { 4510}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HB  ))
      3.400     1.500     1.500 peak  4510 spectrum    1 weight  0.10000E+01 volume  0.37368E-02 ppm1      4.162 ppm2      2.373 CV     1
 OR { 4510}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4511}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE1 ))
      2.600     0.900     0.900 peak  4511 spectrum    1 weight  0.10000E+01 volume  0.65396E-02 ppm1      1.690 ppm2      1.893 CV     1
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HG  ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HG  ))
 OR { 4511}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HG  ))
 ASSI { 4512}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HG3 ))
      2.300     0.700     0.700 peak  4512 spectrum    1 weight  0.10000E+01 volume  0.11347E-01 ppm1      1.690 ppm2      2.378 CV     1
 OR { 4512}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HB  ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HB  ))
 OR { 4512}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4513}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak  4513 spectrum    1 weight  0.10000E+01 volume  0.32709E-02 ppm1      1.690 ppm2      2.190 CV     1
 OR { 4513}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4513}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4513}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR { 4513}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4513}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4513}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4513}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HB3 ))
 ASSI { 4514}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak  4514 spectrum    1 weight  0.10000E+01 volume  0.18281E-02 ppm1      1.691 ppm2      2.071 CV     1
 OR { 4514}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4514}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4514}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4514}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4514}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4514}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HB2 ))
 ASSI { 4515}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HG2 ))
      3.300     1.400     1.400 peak  4515 spectrum    1 weight  0.10000E+01 volume  0.18691E-02 ppm1      1.689 ppm2      2.845 CV     1
 OR { 4515}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4515}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4515}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HG2 ))
 OR { 4515}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI { 4516}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak  4516 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      1.692 ppm2      2.691 CV     1
 OR { 4516}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4516}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR { 4516}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI { 4517}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak  4517 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      1.692 ppm2      2.558 CV     1
 OR { 4517}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4517}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4517}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4517}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4517}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 12   and name HB2 ))
 OR { 4517}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4517}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4517}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4517}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 4    and name HB2 ))
 ASSI { 4518}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 10   and name HB2 ))
      4.100     2.100     1.900 peak  4518 spectrum    1 weight  0.10000E+01 volume  0.11486E-02 ppm1      1.690 ppm2      3.055 CV     1
 OR { 4518}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 10   and name HB2 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 10   and name HB2 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 10   and name HB2 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 10   and name HB2 ))
 OR { 4518}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4518}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HE2 ))
 ASSI { 4519}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name HG21))
      2.300     0.700     0.700 peak  4519 spectrum    1 weight  0.10000E+01 volume  0.14193E-01 ppm1      1.690 ppm2      0.945 CV     1
 OR { 4519}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4519}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG23))
 ASSI { 4520}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD13))
      3.000     1.100     1.100 peak  4520 spectrum    1 weight  0.10000E+01 volume  0.28049E-02 ppm1      1.691 ppm2      0.817 CV     1
 OR { 4520}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HD13))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD13))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD12))
 OR { 4520}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD11))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD11))
 OR { 4520}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD11))
 ASSI { 4521}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD21))
      3.400     1.400     1.400 peak  4521 spectrum    1 weight  0.10000E+01 volume  0.17963E-02 ppm1      1.689 ppm2      0.675 CV     1
 OR { 4521}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4521}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4521}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 9    and name HD23))
 ASSI { 4522}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD12))
      3.700     1.700     1.700 peak  4522 spectrum    1 weight  0.10000E+01 volume  0.73374E-03 ppm1      1.686 ppm2      0.561 CV     1
 OR { 4522}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD12))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD11))
 OR { 4522}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD13))
 OR { 4522}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD11))
 ASSI { 4523}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 79   and name HD21))
      3.300     1.400     1.400 peak  4523 spectrum    1 weight  0.10000E+01 volume  0.12488E-02 ppm1      1.691 ppm2      0.458 CV     1
 OR { 4523}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 79   and name HD21))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD22))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD21))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HD23))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 79   and name HD12))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 79   and name HD11))
 OR { 4523}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 79   and name HD11))
 ASSI { 4524}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD13))
      2.500     0.800     0.800 peak  4524 spectrum    1 weight  0.10000E+01 volume  0.83127E-02 ppm1      1.691 ppm2      1.063 CV     1
 OR { 4524}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD13))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD12))
 OR { 4524}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD11))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 5    and name HD21))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 5    and name HD23))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 5    and name HD22))
 OR { 4524}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 5    and name HD22))
 ASSI { 4525}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG12))
      2.800     0.900     0.900 peak  4525 spectrum    1 weight  0.10000E+01 volume  0.96697E-02 ppm1      1.691 ppm2      1.258 CV     1
 OR { 4525}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4525}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 4526}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD21))
      2.600     0.800     0.800 peak  4526 spectrum    1 weight  0.10000E+01 volume  0.69493E-02 ppm1      1.692 ppm2      1.098 CV     1
 OR { 4526}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD23))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4526}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 82   and name HG13))
 OR { 4526}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4526}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HD21))
 OR { 4526}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HD21))
 ASSI { 4527}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name HB3 ))
      3.800     1.800     1.800 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.14837E-02 ppm1      1.689 ppm2      1.987 CV     1
 OR { 4527}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4527}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4527}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4527}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4527}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4527}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 7    and name HB3 ))
 ASSI { 4528}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak  4528 spectrum    1 weight  0.10000E+01 volume  0.12611E-01 ppm1      1.690 ppm2      4.287 CV     1
 OR { 4528}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4528}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4528}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4528}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4528}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 5    and name HA  ))
 OR { 4528}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name HA  ))
 OR { 4528}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 4529}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 8    and name HA  ))
      1.800     0.400     0.400 peak  4529 spectrum    1 weight  0.10000E+01 volume  0.30563E-01 ppm1      1.690 ppm2      4.162 CV     1
 OR { 4529}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4529}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI { 4530}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 6    and name HA  ))
      3.300     1.300     1.300 peak  4530 spectrum    1 weight  0.10000E+01 volume  0.20883E-02 ppm1      1.691 ppm2      4.059 CV     1
 OR { 4530}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4530}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4530}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4530}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4530}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4530}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4530}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4530}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 6    and name HA  ))
 OR { 4530}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4530}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4530}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4532}
   (( segid "B   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak  4532 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      1.690 ppm2      3.948 CV     1
 OR { 4532}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4532}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 80   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4532}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 83   and name HA  ))
 OR { 4532}
   (( segid "B   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 11   and name HA  ))
 OR { 4532}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 11   and name HA  ))
 ASSI { 4533}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
      3.300     1.400     1.400 peak  4533 spectrum    1 weight  0.10000E+01 volume  0.10910E-02 ppm1      1.690 ppm2      7.091 CV     1
 OR { 4533}
   (( segid "B   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4533}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4533}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 6    and name H   ))
 ASSI { 4536}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "A   " and resid 7    and name H   ))
      2.600     2.600     3.400 peak  4536 spectrum    1 weight  0.10000E+01 volume  0.13032E-02 ppm1      1.690 ppm2      8.053 CV     1
 OR { 4536}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 7    and name H   ))
 OR { 4536}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "A   " and resid 7    and name H   ))
 OR { 4536}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 45   and name H   ))
 OR { 4536}
   (( segid "A   " and resid 8    and name HB3 ))
   (( segid "B   " and resid 45   and name H   ))
 ASSI { 4561}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name HE3 ))
      4.000     2.000     2.000 peak  4561 spectrum    1 weight  0.10000E+01 volume  0.15338E-02 ppm1      2.072 ppm2      3.059 CV     1
 OR { 4561}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4561}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4561}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name HE2 ))
 ASSI { 4562}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name HD3 ))
      3.600     1.600     1.600 peak  4562 spectrum    1 weight  0.10000E+01 volume  0.19940E-02 ppm1      2.066 ppm2      1.801 CV     1
 OR { 4562}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HD3 ))
 OR { 4562}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HD2 ))
 OR { 4562}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name HD2 ))
 ASSI { 4563}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  4563 spectrum    1 weight  0.10000E+01 volume  0.21665E-02 ppm1      2.070 ppm2      4.339 CV     1
 OR { 4563}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 4    and name HA  ))
 OR { 4563}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 4    and name HA  ))
 ASSI { 4564}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.36438E-02 ppm1      2.072 ppm2      4.267 CV     1
 OR { 4564}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI { 4569}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 6    and name H   ))
      4.100     2.100     1.900 peak  4569 spectrum    1 weight  0.10000E+01 volume  0.64095E-03 ppm1      2.061 ppm2      7.099 CV     1
 OR { 4569}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4570}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
      4.600     2.700     1.400 peak  4570 spectrum    1 weight  0.10000E+01 volume  0.66177E-03 ppm1      1.984 ppm2      7.108 CV     1
 OR { 4570}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4574}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak  4574 spectrum    1 weight  0.10000E+01 volume  0.22803E-02 ppm1      1.980 ppm2      4.338 CV     1
 OR { 4574}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI { 4575}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak  4575 spectrum    1 weight  0.10000E+01 volume  0.36697E-02 ppm1      1.981 ppm2      4.266 CV     1
 OR { 4575}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI { 4576}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 7    and name HE3 ))
      3.300     1.400     1.400 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      1.980 ppm2      3.065 CV     1
 OR { 4576}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4576}
   (( segid "A   " and resid 7    and name HB3 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4576}
   (( segid "B   " and resid 7    and name HB3 ))
   (( segid "B   " and resid 7    and name HE2 ))
 ASSI { 4578}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 11   and name HG12))
      4.300     2.300     1.700 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.90605E-03 ppm1      2.069 ppm2      1.255 CV     1
 OR { 4578}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 4578}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4578}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4578}
   (( segid "B   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI { 4584}
   (( segid "A   " and resid 7    and name HD3 ))
   (( segid "B   " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  4584 spectrum    1 weight  0.10000E+01 volume  0.28244E-02 ppm1      1.804 ppm2      4.343 CV     1
 OR { 4584}
   (( segid "A   " and resid 7    and name HD2 ))
   (( segid "B   " and resid 4    and name HA  ))
 OR { 4584}
   (( segid "B   " and resid 7    and name HD3 ))
   (( segid "A   " and resid 4    and name HA  ))
 OR { 4584}
   (( segid "A   " and resid 22   and name HD3 ))
   (( segid "A   " and resid 19   and name HA  ))
 OR { 4584}
   (( segid "B   " and resid 22   and name HD3 ))
   (( segid "B   " and resid 19   and name HA  ))
 ASSI { 4588}
   (( segid "A   " and resid 7    and name HG2 ))
   (( segid "A   " and resid 7    and name HB3 ))
      2.700     0.900     0.900 peak  4588 spectrum    1 weight  0.10000E+01 volume  0.51458E-02 ppm1      1.625 ppm2      1.980 CV     1
 OR { 4588}
   (( segid "B   " and resid 7    and name HG2 ))
   (( segid "B   " and resid 7    and name HB3 ))
 ASSI { 4591}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 9    and name H   ))
      3.400     1.500     1.500 peak  4591 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      4.068 ppm2      7.744 CV     1
 OR { 4591}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 10   and name H   ))
 ASSI { 4593}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 7    and name H   ))
      3.600     1.600     1.600 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.88329E-03 ppm1      4.067 ppm2      8.247 CV     1
 OR { 4593}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 8    and name H   ))
 ASSI { 4594}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "A   " and resid 43   and name HD3 ))
      3.600     1.600     1.600 peak  4594 spectrum    1 weight  0.10000E+01 volume  0.16318E-02 ppm1      4.061 ppm2      3.223 CV     1
 OR { 4594}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "B   " and resid 43   and name HD3 ))
 ASSI { 4595}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "A   " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.27789E-02 ppm1      4.067 ppm2      2.413 CV     1
 OR { 4595}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "B   " and resid 41   and name HB2 ))
 ASSI { 4596}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak  4596 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      4.062 ppm2      2.207 CV     1
 OR { 4596}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HB2 ))
 OR { 4596}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB3 ))
 OR { 4596}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HB3 ))
 ASSI { 4597}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 9    and name HD22))
      2.700     0.900     0.900 peak  4597 spectrum    1 weight  0.10000E+01 volume  0.28656E-02 ppm1      4.063 ppm2      0.676 CV     1
 OR { 4597}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4597}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4597}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4597}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD21))
 ASSI { 4598}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "A   " and resid 42   and name HD11))
      3.400     1.500     1.500 peak  4598 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      4.069 ppm2      0.864 CV     1
 OR { 4598}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4598}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "B   " and resid 37   and name HD21))
 OR { 4598}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "B   " and resid 37   and name HD22))
 ASSI { 4601}
   (( segid "B   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
      2.900     1.100     1.100 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.75498E-03 ppm1      2.191 ppm2      7.088 CV     1
 OR { 4601}
   (( segid "B   " and resid 6    and name HB2 ))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4601}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4601}
   (( segid "A   " and resid 6    and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
 ASSI { 4602}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 6    and name H   ))
      3.400     1.400     1.400 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.66784E-03 ppm1      4.293 ppm2      7.098 CV     1
 OR { 4602}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4611}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "A   " and resid 42   and name HD13))
      2.700     0.900     0.900 peak  4611 spectrum    1 weight  0.10000E+01 volume  0.16521E-02 ppm1      1.836 ppm2      0.872 CV     1
 OR { 4611}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "A   " and resid 37   and name HD22))
 OR { 4611}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "A   " and resid 37   and name HD21))
 OR { 4611}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "A   " and resid 37   and name HD23))
 OR { 4611}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "A   " and resid 42   and name HD11))
 ASSI { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "B   " and resid 42   and name HD22))
      4.100     2.100     1.900 peak  4612 spectrum    1 weight  0.10000E+01 volume  0.10545E-02 ppm1      1.832 ppm2      0.683 CV     1
 OR { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "B   " and resid 42   and name HD21))
 OR { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4612}
   (( segid "B   " and resid 5    and name HG  ))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4612}
   (( segid "A   " and resid 5    and name HG  ))
   (( segid "A   " and resid 9    and name HD22))
 ASSI { 4616}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HG  ))
      2.300     0.600     0.600 peak  4616 spectrum    1 weight  0.10000E+01 volume  0.13355E-01 ppm1      1.073 ppm2      1.538 CV     1
 OR { 4616}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HG  ))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 15   and name HG23))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 15   and name HG21))
 OR { 4616}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 15   and name HG21))
 ASSI { 4617}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HG  ))
      2.300     0.700     0.700 peak  4617 spectrum    1 weight  0.10000E+01 volume  0.10099E-01 ppm1      1.043 ppm2      1.523 CV     1
 OR { 4617}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 4617}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HG  ))
 OR { 4617}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4617}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4617}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 15   and name HG23))
 OR { 4617}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 15   and name HG21))
 ASSI { 4620}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 41   and name HB2 ))
      3.600     1.600     1.600 peak  4620 spectrum    1 weight  0.10000E+01 volume  0.33813E-02 ppm1      1.046 ppm2      2.415 CV     1
 OR { 4620}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 4620}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 41   and name HB2 ))
 OR { 4620}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4620}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 12   and name HG3 ))
 OR { 4620}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 12   and name HG3 ))
 ASSI { 4622}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 6    and name HA  ))
      3.400     1.400     1.400 peak  4622 spectrum    1 weight  0.10000E+01 volume  0.17746E-02 ppm1      1.042 ppm2      4.051 CV     1
 OR { 4622}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 6    and name HA  ))
 OR { 4622}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4622}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 12   and name HA  ))
 OR { 4622}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 12   and name HA  ))
 ASSI { 4629}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 6    and name H   ))
      3.900     1.900     1.900 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      1.050 ppm2      7.116 CV     1
 OR { 4629}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4629}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4629}
   (( segid "A   " and resid 46   and name HD13))
   (( segid "C   " and resid 1897  and name HE21))
 ASSI { 4639}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD13))
      2.100     0.500     0.500 peak  4639 spectrum    1 weight  0.10000E+01 volume  0.12739E-01 ppm1      1.074 ppm2      0.870 CV     1
 OR { 4639}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD11))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 37   and name HD22))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 37   and name HD22))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 37   and name HD21))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD11))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HD11))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD12))
   (( segid "A   " and resid 42   and name HD12))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 37   and name HD22))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD11))
   (( segid "A   " and resid 42   and name HD12))
 OR { 4639}
   (( segid "B   " and resid 5    and name HD13))
   (( segid "A   " and resid 42   and name HD12))
 ASSI { 4642}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak  4642 spectrum    1 weight  0.10000E+01 volume  0.14367E-02 ppm1      1.105 ppm2      4.154 CV     1
 OR { 4642}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4642}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4642}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4642}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 4647}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 11   and name HB  ))
      2.400     0.700     0.700 peak  4647 spectrum    1 weight  0.10000E+01 volume  0.62015E-02 ppm1      1.107 ppm2      2.384 CV     1
 OR { 4647}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 4647}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 4647}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HG3 ))
 ASSI { 4648}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HB3 ))
      2.400     2.400     3.600 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.32406E-02 ppm1      1.107 ppm2      2.189 CV     1
 OR { 4648}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 41   and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 4    and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HB2 ))
 OR { 4648}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HB2 ))
 ASSI { 4653}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HE1 ))
      3.300     1.400     1.400 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.41510E-02 ppm1      1.107 ppm2      1.889 CV     1
 OR { 4653}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4653}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI { 4655}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 79   and name HG  ))
      3.000     1.100     1.100 peak  4655 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      1.105 ppm2      1.264 CV     1
 OR { 4655}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 11   and name HG13))
 OR { 4655}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 79   and name HG  ))
 OR { 4655}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI { 4657}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 37   and name HD22))
      2.600     0.900     0.900 peak  4657 spectrum    1 weight  0.10000E+01 volume  0.42831E-02 ppm1      1.106 ppm2      0.869 CV     1
 OR { 4657}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4657}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 37   and name HD22))
 OR { 4657}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4657}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 42   and name HD13))
 OR { 4657}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 37   and name HD22))
 ASSI { 4659}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD21))
      3.800     1.800     1.800 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.19831E-02 ppm1      1.106 ppm2      0.691 CV     1
 OR { 4659}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD21))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 42   and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 42   and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "B   " and resid 9    and name HD23))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 42   and name HD23))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 42   and name HD22))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 42   and name HD23))
 OR { 4659}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 42   and name HD23))
 ASSI { 4665}
   (( segid "B   " and resid 5    and name HD23))
   (  segid "A   " and resid 78   and name HE% )
      3.200     1.300     1.300 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.60346E-03 ppm1      1.106 ppm2      7.025 CV     1
 OR { 4665}
   (( segid "B   " and resid 5    and name HD22))
   (  segid "A   " and resid 78   and name HE% )
 OR { 4665}
   (( segid "B   " and resid 5    and name HD21))
   (  segid "A   " and resid 45   and name HE% )
 OR { 4665}
   (( segid "B   " and resid 5    and name HD23))
   (  segid "A   " and resid 45   and name HE% )
 OR { 4665}
   (( segid "B   " and resid 5    and name HD22))
   (  segid "A   " and resid 45   and name HE% )
 ASSI { 4666}
   (( segid "B   " and resid 5    and name HD11))
   (  segid "A   " and resid 78   and name HE% )
      3.700     1.700     1.700 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.72202E-03 ppm1      1.075 ppm2      7.025 CV     1
 OR { 4666}
   (( segid "B   " and resid 5    and name HD12))
   (  segid "A   " and resid 78   and name HE% )
 OR { 4666}
   (( segid "B   " and resid 5    and name HD13))
   (  segid "A   " and resid 78   and name HE% )
 OR { 4666}
   (( segid "B   " and resid 5    and name HD12))
   (  segid "A   " and resid 45   and name HE% )
 ASSI { 4671}
   (( segid "B   " and resid 5    and name HD21))
   (( segid "A   " and resid 11   and name H   ))
      2.600     2.600     3.400 peak  4671 spectrum    1 weight  0.10000E+01 volume  0.94660E-03 ppm1      1.107 ppm2      8.453 CV     1
 OR { 4671}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4671}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 11   and name H   ))
 OR { 4671}
   (( segid "B   " and resid 5    and name HD23))
   (( segid "A   " and resid 13   and name H   ))
 OR { 4671}
   (( segid "B   " and resid 5    and name HD22))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 4681}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD22))
      2.500     0.800     0.800 peak  4681 spectrum    1 weight  0.10000E+01 volume  0.54993E-02 ppm1      1.043 ppm2      0.682 CV     1
 OR { 4681}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD12))
   (( segid "B   " and resid 42   and name HD21))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD11))
   (( segid "B   " and resid 42   and name HD21))
 OR { 4681}
   (( segid "A   " and resid 5    and name HD13))
   (( segid "B   " and resid 42   and name HD21))
 ASSI { 4687}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name H   ))
      3.600     1.600     1.600 peak  4687 spectrum    1 weight  0.10000E+01 volume  0.18405E-02 ppm1      1.058 ppm2      8.307 CV     1
 OR { 4687}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 13   and name H   ))
 OR { 4687}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 13   and name H   ))
 OR { 4687}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name H   ))
 OR { 4687}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name H   ))
 ASSI { 4698}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  4698 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      1.057 ppm2      4.156 CV     1
 OR { 4698}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4698}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 8    and name HA  ))
 OR { 4698}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4698}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name HA  ))
 OR { 4698}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI { 4703}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HE1 ))
      3.700     1.800     1.800 peak  4703 spectrum    1 weight  0.10000E+01 volume  0.23107E-02 ppm1      1.058 ppm2      1.887 CV     1
 OR { 4703}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HE1 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 18   and name HB3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 18   and name HB3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 18   and name HB3 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 12   and name HE2 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 12   and name HE2 ))
 OR { 4703}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI { 4705}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name HB3 ))
      2.700     0.900     0.900 peak  4705 spectrum    1 weight  0.10000E+01 volume  0.82411E-02 ppm1      1.057 ppm2      1.690 CV     1
 OR { 4705}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name HB3 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 4705}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 37   and name HB2 ))
 ASSI { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD21))
      3.800     1.800     1.800 peak  4710 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      1.057 ppm2      0.678 CV     1
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD22))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "A   " and resid 9    and name HD21))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "A   " and resid 9    and name HD23))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 42   and name HD22))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD22))
   (( segid "B   " and resid 42   and name HD23))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD23))
   (( segid "B   " and resid 42   and name HD21))
 OR { 4710}
   (( segid "A   " and resid 5    and name HD21))
   (( segid "B   " and resid 42   and name HD21))
 ASSI { 4713}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB3 ))
      3.600     1.600     1.600 peak  4713 spectrum    1 weight  0.10000E+01 volume  0.35179E-02 ppm1      4.926 ppm2      2.188 CV     1
 OR { 4713}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4713}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 6    and name HB2 ))
 OR { 4713}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR { 4713}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4713}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI { 4714}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 4    and name HG2 ))
      4.300     2.300     1.700 peak  4714 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      4.924 ppm2      2.374 CV     1
 OR { 4714}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 4    and name HG2 ))
 ASSI { 4715}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 4    and name HB2 ))
      4.100     2.100     1.900 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.93142E-03 ppm1      4.926 ppm2      2.547 CV     1
 OR { 4715}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI { 4716}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 3    and name HB3 ))
      2.400     0.700     0.700 peak  4716 spectrum    1 weight  0.10000E+01 volume  0.23540E-02 ppm1      4.925 ppm2      2.958 CV     1
 OR { 4716}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB3 ))
 ASSI { 4719}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HA  ))
      3.300     3.300     2.700 peak  4719 spectrum    1 weight  0.10000E+01 volume  0.11211E-01 ppm1      4.925 ppm2      4.065 CV     1
 OR { 4719}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI { 4720}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 2    and name HB1 ))
      4.900     2.900     1.100 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.83105E-03 ppm1      4.924 ppm2      1.486 CV     1
 OR { 4720}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 2    and name HB1 ))
 OR { 4720}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 2    and name HB3 ))
 OR { 4720}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 2    and name HB2 ))
 OR { 4720}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 2    and name HB2 ))
 ASSI { 4723}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name H   ))
      4.000     2.000     2.000 peak  4723 spectrum    1 weight  0.10000E+01 volume  0.65677E-03 ppm1      4.933 ppm2      7.105 CV     1
 OR { 4723}
   (( segid "B   " and resid 3    and name HA  ))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4728}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 6    and name HA  ))
      4.100     2.100     1.900 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.20839E-02 ppm1      2.961 ppm2      4.061 CV     1
 OR { 4728}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI { 4731}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 43   and name HD3 ))
      3.500     1.500     1.500 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.13090E-02 ppm1      2.968 ppm2      3.222 CV     1
 OR { 4731}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 43   and name HD3 ))
 ASSI { 4732}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 6    and name H   ))
      3.400     1.400     1.400 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.11022E-02 ppm1      2.966 ppm2      7.103 CV     1
 OR { 4732}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
 ASSI { 4734}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 41   and name HB3 ))
      3.800     1.800     1.800 peak  4734 spectrum    1 weight  0.10000E+01 volume  0.11031E-02 ppm1      2.962 ppm2      2.187 CV     1
 OR { 4734}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR { 4734}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4734}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI { 4735}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 41   and name HB2 ))
      4.700     2.800     1.300 peak  4735 spectrum    1 weight  0.10000E+01 volume  0.75217E-03 ppm1      2.956 ppm2      2.416 CV     1
 OR { 4735}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 41   and name HB2 ))
 ASSI { 4736}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak  4736 spectrum    1 weight  0.10000E+01 volume  0.67520E-03 ppm1      2.955 ppm2      2.561 CV     1
 OR { 4736}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI { 4739}
   (( segid "B   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 4    and name HD2 ))
      4.300     2.300     1.700 peak  4739 spectrum    1 weight  0.10000E+01 volume  0.15776E-02 ppm1      3.575 ppm2      4.047 CV     1
 OR { 4739}
   (( segid "B   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 6    and name HA  ))
 ASSI { 4745}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 7    and name HE2 ))
      3.800     1.800     1.800 peak  4745 spectrum    1 weight  0.10000E+01 volume  0.18238E-02 ppm1      4.480 ppm2      3.069 CV     1
 OR { 4745}
   (( segid "B   " and resid 2    and name HA  ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4745}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4745}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4745}
   (( segid "B   " and resid 2    and name HA  ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4745}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "B   " and resid 7    and name HE3 ))
 ASSI { 4749}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 6    and name H   ))
      4.000     2.000     2.000 peak  4749 spectrum    1 weight  0.10000E+01 volume  0.13287E-02 ppm1      1.482 ppm2      7.088 CV     1
 OR { 4749}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4749}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4749}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 6    and name H   ))
 OR { 4749}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 6    and name H   ))
 OR { 4749}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 6    and name H   ))
 ASSI { 4752}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak  4752 spectrum    1 weight  0.10000E+01 volume  0.17349E-02 ppm1      1.483 ppm2      4.271 CV     1
 OR { 4752}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 7    and name HA  ))
 OR { 4752}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HA  ))
 OR { 4752}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 5    and name HA  ))
 OR { 4752}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI { 4755}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 6    and name HB3 ))
      3.600     1.600     1.600 peak  4755 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      1.483 ppm2      2.194 CV     1
 OR { 4755}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 6    and name HB3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 6    and name HB3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 6    and name HB3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HG3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 6    and name HB2 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 6    and name HB2 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR { 4755}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR { 4755}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 6    and name HB2 ))
 ASSI { 4756}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  4756 spectrum    1 weight  0.10000E+01 volume  0.25513E-02 ppm1      1.481 ppm2      2.077 CV     1
 OR { 4756}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4756}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4756}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4756}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR { 4756}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 7    and name HB2 ))
 OR { 4756}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HB2 ))
 ASSI { 4757}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 7    and name HB3 ))
      3.700     1.700     1.700 peak  4757 spectrum    1 weight  0.10000E+01 volume  0.23150E-02 ppm1      1.487 ppm2      1.989 CV     1
 OR { 4757}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4757}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4757}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4757}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HB3 ))
 OR { 4757}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 7    and name HB3 ))
 OR { 4757}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HB3 ))
 ASSI { 4758}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 4    and name HB2 ))
      3.800     3.800     2.200 peak  4758 spectrum    1 weight  0.10000E+01 volume  0.24754E-02 ppm1      1.485 ppm2      2.551 CV     1
 OR { 4758}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 4    and name HB2 ))
 OR { 4758}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI { 4759}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 3    and name HB3 ))
      4.100     2.100     1.900 peak  4759 spectrum    1 weight  0.10000E+01 volume  0.12581E-02 ppm1      1.481 ppm2      2.954 CV     1
 OR { 4759}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 3    and name HB3 ))
 OR { 4759}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 3    and name HB3 ))
 OR { 4759}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 3    and name HB3 ))
 OR { 4759}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB3 ))
 ASSI { 4760}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 7    and name HE2 ))
      2.900     1.000     1.000 peak  4760 spectrum    1 weight  0.10000E+01 volume  0.57072E-02 ppm1      1.483 ppm2      3.070 CV     1
 OR { 4760}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4760}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4760}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4760}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HE2 ))
 OR { 4760}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 7    and name HE2 ))
 OR { 4760}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4760}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4760}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4760}
   (( segid "B   " and resid 2    and name HB1 ))
   (( segid "B   " and resid 7    and name HE3 ))
 OR { 4760}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HE3 ))
 OR { 4760}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 7    and name HE3 ))
 ASSI { 4763}
   (( segid "A   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 4    and name HG2 ))
      4.800     2.900     1.200 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.80354E-03 ppm1      1.486 ppm2      2.393 CV     1
 OR { 4763}
   (( segid "A   " and resid 2    and name HB1 ))
   (( segid "A   " and resid 4    and name HG2 ))
 OR { 4763}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 4    and name HG2 ))
 OR { 4763}
   (( segid "B   " and resid 2    and name HB3 ))
   (( segid "A   " and resid 4    and name HG2 ))
 OR { 4763}
   (( segid "B   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 4    and name HG2 ))
 ASSI { 4771}
   (( segid "A   " and resid 72   and name HB2 ))
   (( segid "A   " and resid 72   and name HZ  ))
      4.600     2.700     1.400 peak  4771 spectrum    1 weight  0.10000E+01 volume  0.73677E-03 ppm1      2.755 ppm2      6.911 CV     1
 OR { 4771}
   (( segid "A   " and resid 72   and name HB2 ))
   (  segid "A   " and resid 75   and name HD% )
 ASSI { 4780}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HG2 ))
      3.900     1.900     1.900 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      4.332 ppm2      2.384 CV     1
 OR { 4780}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 4783}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak  4783 spectrum    1 weight  0.10000E+01 volume  0.17839E-02 ppm1      4.332 ppm2      2.072 CV     1
 OR { 4783}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 7    and name HB2 ))
 ASSI { 4786}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 8    and name H   ))
      4.300     2.300     1.700 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.12080E-02 ppm1      4.332 ppm2      8.252 CV     1
 OR { 4786}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 7    and name H   ))
 ASSI { 4790}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 4    and name HG2 ))
      3.900     1.900     1.900 peak  4790 spectrum    1 weight  0.10000E+01 volume  0.16006E-02 ppm1      4.354 ppm2      2.363 CV     1
 OR { 4790}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 11   and name HB  ))
 ASSI { 4792}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "B   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak  4792 spectrum    1 weight  0.10000E+01 volume  0.17781E-02 ppm1      4.354 ppm2      2.072 CV     1
 OR { 4792}
   (( segid "B   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI { 4797}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.30086E-02 ppm1      2.193 ppm2      4.341 CV     1
 OR { 4797}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI { 4803}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 3    and name HA  ))
      4.700     2.700     1.300 peak  4803 spectrum    1 weight  0.10000E+01 volume  0.16419E-02 ppm1      2.196 ppm2      4.924 CV     1
 OR { 4803}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 3    and name HA  ))
 ASSI { 4804}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "B   " and resid 4    and name HG2 ))
      2.200     0.600     0.600 peak  4804 spectrum    1 weight  0.10000E+01 volume  0.47167E-02 ppm1      2.552 ppm2      2.370 CV     1
 OR { 4804}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 4    and name HG2 ))
 ASSI { 4805}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "B   " and resid 4    and name HB3 ))
      1.400     0.200     0.800 peak  4805 spectrum    1 weight  0.10000E+01 volume  0.17703E-01 ppm1      2.547 ppm2      2.184 CV     1
 OR { 4805}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 4    and name HB3 ))
 ASSI { 4807}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  4807 spectrum    1 weight  0.10000E+01 volume  0.64789E-02 ppm1      2.550 ppm2      4.343 CV     1
 OR { 4807}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "B   " and resid 4    and name HA  ))
 ASSI { 4809}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 11   and name HG23))
      3.500     1.500     1.500 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      2.546 ppm2      0.944 CV     1
 OR { 4809}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4809}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4809}
   (( segid "A   " and resid 4    and name HB2 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4809}
   (( segid "B   " and resid 4    and name HB2 ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI { 4812}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 3    and name HA  ))
      5.400     3.700     0.600 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.57311E-03 ppm1      2.188 ppm2      4.923 CV     1
 OR { 4812}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 3    and name HA  ))
 ASSI { 4813}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 11   and name HG23))
      3.300     1.400     1.400 peak  4813 spectrum    1 weight  0.10000E+01 volume  0.31929E-02 ppm1      2.186 ppm2      0.944 CV     1
 OR { 4813}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4813}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4813}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4813}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI { 4814}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG13))
      2.500     2.500     3.500 peak  4814 spectrum    1 weight  0.10000E+01 volume  0.19849E-02 ppm1      2.187 ppm2      1.259 CV     1
 OR { 4814}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4814}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4814}
   (( segid "A   " and resid 4    and name HB3 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4814}
   (( segid "B   " and resid 4    and name HB3 ))
   (( segid "A   " and resid 11   and name HG12))
 ASSI { 4815}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 4    and name HG3 ))
      1.700     0.400     0.500 peak  4815 spectrum    1 weight  0.10000E+01 volume  0.11926E-01 ppm1      2.370 ppm2      2.192 CV     1
 OR { 4815}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 4    and name HG3 ))
 OR { 4815}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 4    and name HB3 ))
 ASSI { 4818}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 11   and name HG23))
      4.900     2.900     1.100 peak  4818 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      2.379 ppm2      0.948 CV     1
 OR { 4818}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4818}
   (( segid "A   " and resid 4    and name HG2 ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 4818}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4818}
   (( segid "B   " and resid 4    and name HG2 ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI { 4820}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 11   and name HG21))
      4.500     2.500     1.500 peak  4820 spectrum    1 weight  0.10000E+01 volume  0.13768E-02 ppm1      2.189 ppm2      0.944 CV     1
 OR { 4820}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 4820}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 4820}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 4820}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI { 4821}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG13))
      4.100     2.100     1.900 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.97953E-03 ppm1      2.189 ppm2      1.258 CV     1
 OR { 4821}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 4821}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 4821}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 4821}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 11   and name HG12))
 ASSI { 4822}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 4    and name HB2 ))
      2.600     0.900     0.900 peak  4822 spectrum    1 weight  0.10000E+01 volume  0.62861E-02 ppm1      2.193 ppm2      2.546 CV     1
 OR { 4822}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI { 4823}
   (( segid "B   " and resid 4    and name HG3 ))
   (( segid "B   " and resid 4    and name HG2 ))
      1.700     0.400     0.500 peak  4823 spectrum    1 weight  0.10000E+01 volume  0.10090E-01 ppm1      2.193 ppm2      2.368 CV     1
 OR { 4823}
   (( segid "A   " and resid 4    and name HG3 ))
   (( segid "A   " and resid 4    and name HG2 ))
 ASSI { 4835}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HD2 ))
      3.700     1.700     1.700 peak  4835 spectrum    1 weight  0.10000E+01 volume  0.65005E-03 ppm1      4.108 ppm2      7.002 CV     1
 OR { 4835}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name H   ))
 OR { 4835}
   (( segid "A   " and resid 14   and name HA  ))
   (  segid "B   " and resid 90   and name HD% )
 ASSI {    4}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 100  and name HA  ))
      2.000     0.500     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.21114E-01 ppm1      7.963 ppm2      4.372 CV     1
 OR {    4}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 100  and name HA  ))
 ASSI {    5}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 101  and name HA  ))
      2.200     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.14400E-01 ppm1      7.962 ppm2      4.202 CV     1
 OR {    5}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 101  and name HA  ))
 ASSI {    8}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 100  and name HB2 ))
      3.500     1.600     1.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.16580E-02 ppm1      7.963 ppm2      1.902 CV     1
 OR {    8}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 100  and name HB2 ))
 ASSI {    9}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 101  and name HB3 ))
      3.300     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.22133E-02 ppm1      7.963 ppm2      1.771 CV     1
 OR {    9}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 101  and name HB3 ))
 ASSI {   10}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 101  and name HG2 ))
      3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.31538E-02 ppm1      7.965 ppm2      1.371 CV     1
 OR {   10}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 101  and name HG3 ))
 OR {   10}
   (( segid "A   " and resid 101  and name H   ))
   (( segid "A   " and resid 101  and name HG3 ))
 OR {   10}
   (( segid "B   " and resid 101  and name H   ))
   (( segid "B   " and resid 101  and name HG2 ))
 ASSI {   13}
   (( segid "B   " and resid 100  and name H   ))
   (( segid "B   " and resid 101  and name H   ))
      3.900     1.900     1.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1      8.333 ppm2      7.969 CV     1
 OR {   13}
   (( segid "A   " and resid 100  and name H   ))
   (( segid "A   " and resid 101  and name H   ))
 ASSI {   15}
   (( segid "B   " and resid 100  and name H   ))
   (( segid "B   " and resid 100  and name HA  ))
      2.000     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.22941E-01 ppm1      8.341 ppm2      4.374 CV     1
 OR {   15}
   (( segid "A   " and resid 100  and name H   ))
   (( segid "A   " and resid 100  and name HA  ))
 ASSI {   16}
   (( segid "A   " and resid 100  and name H   ))
   (( segid "A   " and resid 100  and name HB2 ))
      2.900     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.27531E-02 ppm1      8.341 ppm2      1.903 CV     1
 OR {   16}
   (( segid "B   " and resid 100  and name H   ))
   (( segid "B   " and resid 100  and name HB2 ))
 ASSI {   17}
   (( segid "A   " and resid 100  and name H   ))
   (( segid "A   " and resid 100  and name HB3 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.37110E-02 ppm1      8.340 ppm2      1.809 CV     1
 OR {   17}
   (( segid "B   " and resid 100  and name H   ))
   (( segid "B   " and resid 100  and name HB3 ))
 ASSI {   20}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 25   and name H   ))
      4.700     2.700     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.48332E-03 ppm1      8.992 ppm2      8.607 CV     1
 OR {   20}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 25   and name H   ))
 ASSI {   22}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 23   and name HA  ))
      2.800     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.46050E-02 ppm1      8.992 ppm2      4.652 CV     1
 OR {   22}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 23   and name HA  ))
 ASSI {   23}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 24   and name HA2 ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16155E-02 ppm1      8.991 ppm2      3.938 CV     1
 OR {   23}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 24   and name HA2 ))
 ASSI {   24}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 24   and name HA3 ))
      3.000     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.23739E-02 ppm1      8.992 ppm2      3.779 CV     1
 OR {   24}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 24   and name HA3 ))
 ASSI {   25}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 23   and name HG2 ))
      4.200     2.200     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.81364E-03 ppm1      8.995 ppm2      2.249 CV     1
 OR {   25}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 23   and name HG2 ))
 ASSI {   26}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 23   and name HG3 ))
      4.700     2.800     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.63762E-03 ppm1      8.989 ppm2      2.130 CV     1
 OR {   26}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 23   and name HG3 ))
 ASSI {   27}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 23   and name HB2 ))
      3.600     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.12932E-02 ppm1      8.990 ppm2      1.993 CV     1
 OR {   27}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {   28}
   (( segid "B   " and resid 24   and name H   ))
   (( segid "B   " and resid 23   and name HB3 ))
      3.700     1.700     1.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.78807E-03 ppm1      8.995 ppm2      1.828 CV     1
 OR {   28}
   (( segid "A   " and resid 24   and name H   ))
   (( segid "A   " and resid 23   and name HB3 ))
 ASSI {   32}
   (( segid "B   " and resid 26   and name H   ))
   (  segid "B   " and resid 27   and name HD% )
      3.700     1.700     1.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10531E-02 ppm1      9.350 ppm2      7.497 CV     1
 OR {   32}
   (( segid "A   " and resid 26   and name H   ))
   (  segid "A   " and resid 27   and name HD% )
 ASSI {   33}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 28   and name H   ))
      4.400     2.400     1.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      9.352 ppm2      7.199 CV     1
 OR {   33}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 28   and name H   ))
 ASSI {   37}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 21   and name HA2 ))
      4.000     2.000     2.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.55012E-03 ppm1      9.350 ppm2      4.142 CV     1
 OR {   37}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 21   and name HA2 ))
 ASSI {   40}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HE2 ))
      4.500     2.600     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.49782E-03 ppm1      9.352 ppm2      2.998 CV     1
 OR {   40}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HE2 ))
 OR {   40}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HE3 ))
 OR {   40}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HE3 ))
 ASSI {   41}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 25   and name HB2 ))
      4.600     2.600     1.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.59616E-03 ppm1      9.353 ppm2      2.894 CV     1
 OR {   41}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 25   and name HB2 ))
 ASSI {   42}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 25   and name HB3 ))
      3.500     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.87454E-03 ppm1      9.354 ppm2      2.706 CV     1
 OR {   42}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 25   and name HB3 ))
 ASSI {   44}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak    44 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1      9.351 ppm2      1.605 CV     1
 OR {   44}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {   45}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HB3 ))
      2.800     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.27296E-02 ppm1      9.351 ppm2      1.428 CV     1
 OR {   45}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HB3 ))
 ASSI {   46}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HG2 ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.33252E-02 ppm1      9.351 ppm2      1.295 CV     1
 OR {   46}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HG2 ))
 ASSI {   52}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 27   and name H   ))
      2.700     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.22659E-02 ppm1      9.350 ppm2      9.572 CV     1
 OR {   52}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 27   and name H   ))
 ASSI {   54}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name H   ))
      4.100     2.100     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      9.659 ppm2      7.200 CV     1
 OR {   54}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 28   and name H   ))
 ASSI {   55}
   (( segid "A   " and resid 29   and name H   ))
   (  segid "A   " and resid 75   and name HD% )
      3.500     1.600     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.96051E-03 ppm1      9.659 ppm2      6.910 CV     1
 OR {   55}
   (( segid "B   " and resid 29   and name H   ))
   (  segid "B   " and resid 75   and name HD% )
 ASSI {   56}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.10035E-02 ppm1      9.658 ppm2      5.277 CV     1
 OR {   56}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HA  ))
 ASSI {   57}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.31871E-02 ppm1      9.659 ppm2      5.156 CV     1
 OR {   57}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   58}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 70   and name HB  ))
      3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      9.659 ppm2      2.243 CV     1
 OR {   58}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 70   and name HB  ))
 OR {   58}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {   59}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.19415E-02 ppm1      9.658 ppm2      2.151 CV     1
 OR {   59}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {   61}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.400     2.400     1.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.72563E-03 ppm1      9.655 ppm2      1.516 CV     1
 OR {   61}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name HG2 ))
 OR {   61}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 28   and name HD3 ))
 OR {   61}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI {   62}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HG  ))
      3.200     1.300     1.300 peak    62 spectrum    1 weight  0.10000E+01 volume  0.19973E-02 ppm1      9.655 ppm2      1.198 CV     1
 OR {   62}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HG  ))
 ASSI {   65}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HD13))
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      9.654 ppm2      0.764 CV     1
 OR {   65}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD13))
 OR {   65}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HD11))
 OR {   65}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD11))
 OR {   65}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD12))
 ASSI {   66}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
      4.400     2.400     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.11770E-02 ppm1      9.654 ppm2      0.280 CV     1
 OR {   66}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD22))
 OR {   66}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
 OR {   66}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD23))
 OR {   66}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HD21))
 ASSI {   67}
   (( segid "B   " and resid 37   and name H   ))
   (  segid "B   " and resid 19   and name HD% )
      3.900     1.900     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.78807E-03 ppm1      7.941 ppm2      7.398 CV     1
 OR {   67}
   (( segid "A   " and resid 37   and name H   ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI {   68}
   (( segid "B   " and resid 37   and name H   ))
   (  segid "B   " and resid 19   and name HE% )
      3.900     1.900     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.92829E-03 ppm1      7.937 ppm2      6.842 CV     1
 OR {   68}
   (( segid "A   " and resid 37   and name H   ))
   (  segid "A   " and resid 19   and name HE% )
 ASSI {   70}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      7.936 ppm2      4.059 CV     1
 OR {   70}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
 ASSI {   72}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      7.942 ppm2      3.873 CV     1
 OR {   72}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 38   and name HA  ))
 ASSI {   74}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.32693E-02 ppm1      7.941 ppm2      2.204 CV     1
 OR {   74}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 36   and name HB3 ))
 OR {   74}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 36   and name HB2 ))
 OR {   74}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI {   78}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 37   and name HD12))
      3.900     1.900     1.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      7.941 ppm2      0.904 CV     1
 OR {   78}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 37   and name HD12))
 OR {   78}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 37   and name HD13))
 OR {   78}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 37   and name HD13))
 OR {   78}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 37   and name HD11))
 ASSI {   80}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 34   and name HD21))
      4.600     2.600     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.62022E-03 ppm1      7.951 ppm2      0.767 CV     1
 OR {   80}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 35   and name HG2 ))
 OR {   80}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 42   and name HD12))
 OR {   80}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 35   and name HG3 ))
 OR {   80}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 34   and name HD23))
 OR {   80}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {   80}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 42   and name HD11))
 OR {   80}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 42   and name HD13))
 ASSI {   84}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 36   and name H   ))
      2.600     0.800     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.28647E-02 ppm1      7.939 ppm2      7.852 CV     1
 OR {   84}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 36   and name H   ))
 ASSI {   87}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 98   and name HA  ))
      1.900     0.400     0.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.33942E-01 ppm1      8.375 ppm2      4.475 CV     1
 OR {   87}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 98   and name HA  ))
 ASSI {   88}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HA  ))
      2.300     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10327E-01 ppm1      8.376 ppm2      4.374 CV     1
 OR {   88}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HA  ))
 ASSI {   90}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HD3 ))
      4.400     2.400     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.69544E-03 ppm1      8.376 ppm2      3.255 CV     1
 OR {   90}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HD2 ))
 OR {   90}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HD2 ))
 OR {   90}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HD3 ))
 ASSI {   92}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.21314E-02 ppm1      8.376 ppm2      2.334 CV     1
 OR {   92}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 98   and name HB2 ))
 ASSI {   93}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 98   and name HG2 ))
      3.800     1.800     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      8.374 ppm2      2.073 CV     1
 OR {   93}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 98   and name HG3 ))
 OR {   93}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 98   and name HG2 ))
 ASSI {   94}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HB2 ))
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.41717E-02 ppm1      8.375 ppm2      1.904 CV     1
 OR {   94}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HB2 ))
 ASSI {   95}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HB3 ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.73025E-02 ppm1      8.375 ppm2      1.819 CV     1
 OR {   95}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HB3 ))
 ASSI {   96}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HG3 ))
      3.200     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      8.376 ppm2      1.709 CV     1
 OR {   96}
   (( segid "B   " and resid 99   and name H   ))
   (( segid "B   " and resid 99   and name HG2 ))
 OR {   96}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HG3 ))
 OR {   96}
   (( segid "A   " and resid 99   and name H   ))
   (( segid "A   " and resid 99   and name HG2 ))
 ASSI {   98}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 24   and name H   ))
      3.500     1.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.75379E-03 ppm1      9.612 ppm2      8.985 CV     1
 OR {   98}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 24   and name H   ))
 ASSI {  101}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 30   and name HD21))
      4.300     2.300     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.68521E-03 ppm1      9.609 ppm2      7.598 CV     1
 OR {  101}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 30   and name HD21))
 ASSI {  103}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 22   and name H   ))
      2.100     0.600     0.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.10501E-01 ppm1      9.611 ppm2      7.239 CV     1
 OR {  103}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 22   and name H   ))
 ASSI {  105}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.69748E-03 ppm1      9.612 ppm2      4.416 CV     1
 OR {  105}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  106}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 21   and name HA2 ))
      4.200     2.200     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.67343E-03 ppm1      9.608 ppm2      4.140 CV     1
 OR {  106}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 21   and name HA2 ))
 ASSI {  107}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.55061E-03 ppm1      9.606 ppm2      4.088 CV     1
 OR {  107}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI {  108}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 22   and name HA  ))
      2.800     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.63200E-02 ppm1      9.609 ppm2      3.997 CV     1
 OR {  108}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 22   and name HA  ))
 ASSI {  109}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 21   and name HA3 ))
      5.000     3.200     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.62484E-03 ppm1      9.613 ppm2      3.879 CV     1
 OR {  109}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 21   and name HA3 ))
 ASSI {  110}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 33   and name HG2 ))
      3.500     1.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12819E-02 ppm1      9.609 ppm2      2.520 CV     1
 OR {  110}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 33   and name HG2 ))
 ASSI {  111}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 33   and name HG3 ))
      3.100     1.200     1.200 peak   111 spectrum    1 weight  0.10000E+01 volume  0.13592E-02 ppm1      9.612 ppm2      2.419 CV     1
 OR {  111}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 33   and name HG3 ))
 ASSI {  112}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 23   and name HG3 ))
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.10000E+01 volume  0.63300E-02 ppm1      9.610 ppm2      2.165 CV     1
 OR {  112}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 23   and name HG3 ))
 ASSI {  113}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 22   and name HB3 ))
      2.300     0.700     0.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.64734E-02 ppm1      9.610 ppm2      2.027 CV     1
 OR {  113}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI {  114}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.47587E-02 ppm1      9.610 ppm2      1.819 CV     1
 OR {  114}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 23   and name HB3 ))
 ASSI {  115}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 22   and name HG2 ))
      3.900     1.900     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      9.613 ppm2      1.727 CV     1
 OR {  115}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 22   and name HG2 ))
 ASSI {  118}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 23   and name HG2 ))
      2.900     1.000     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.43538E-02 ppm1      9.611 ppm2      2.243 CV     1
 OR {  118}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 23   and name HG2 ))
 ASSI {  121}
   (( segid "B   " and resid 25   and name H   ))
   (( segid "B   " and resid 24   and name HA2 ))
      4.100     2.100     1.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1      8.600 ppm2      3.935 CV     1
 OR {  121}
   (( segid "A   " and resid 25   and name H   ))
   (( segid "A   " and resid 24   and name HA2 ))
 ASSI {  123}
   (( segid "A   " and resid 25   and name H   ))
   (( segid "A   " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.12742E-02 ppm1      8.596 ppm2      2.889 CV     1
 OR {  123}
   (( segid "B   " and resid 25   and name H   ))
   (( segid "B   " and resid 25   and name HB2 ))
 ASSI {  124}
   (( segid "A   " and resid 25   and name H   ))
   (( segid "A   " and resid 25   and name HB3 ))
      3.800     1.800     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.14247E-02 ppm1      8.601 ppm2      2.708 CV     1
 OR {  124}
   (( segid "B   " and resid 25   and name H   ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI {  129}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 30   and name HD21))
      4.100     2.100     1.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.66219E-03 ppm1      8.681 ppm2      7.607 CV     1
 OR {  129}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 30   and name HD21))
 ASSI {  131}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 29   and name HA  ))
      4.900     3.000     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.70261E-03 ppm1      8.693 ppm2      5.273 CV     1
 OR {  131}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 29   and name HA  ))
 ASSI {  132}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.55778E-03 ppm1      8.691 ppm2      4.787 CV     1
 OR {  132}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI {  133}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.20213E-02 ppm1      8.691 ppm2      4.145 CV     1
 OR {  133}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI {  134}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.35893E-02 ppm1      8.690 ppm2      4.069 CV     1
 OR {  134}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI {  136}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 33   and name HG2 ))
      2.600     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.28416E-02 ppm1      8.689 ppm2      2.518 CV     1
 OR {  136}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI {  137}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 33   and name HG3 ))
      3.600     1.600     1.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.23893E-02 ppm1      8.688 ppm2      2.422 CV     1
 OR {  137}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI {  138}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.25080E-02 ppm1      8.690 ppm2      2.227 CV     1
 OR {  138}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {  141}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 35   and name HB3 ))
      4.500     2.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.74048E-03 ppm1      8.691 ppm2      1.378 CV     1
 OR {  141}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI {  142}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 29   and name HD23))
      4.600     2.700     1.400 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10316E-02 ppm1      8.693 ppm2      0.282 CV     1
 OR {  142}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 29   and name HD23))
 OR {  142}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 29   and name HD21))
 OR {  142}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 29   and name HD21))
 OR {  142}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 29   and name HD22))
 ASSI {  143}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 30   and name H   ))
      3.500     1.500     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12481E-02 ppm1      8.687 ppm2      9.609 CV     1
 OR {  143}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 30   and name H   ))
 ASSI {  144}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 34   and name H   ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.27275E-02 ppm1      8.690 ppm2      8.922 CV     1
 OR {  144}
   (( segid "B   " and resid 33   and name H   ))
   (( segid "B   " and resid 34   and name H   ))
 ASSI {  145}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.800     2.900     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      8.692 ppm2      2.168 CV     1
 OR {  145}
   (( segid "A   " and resid 33   and name H   ))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI {  169}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 4    and name HG3 ))
      4.800     2.900     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.94773E-03 ppm1      8.684 ppm2      2.195 CV     1
 OR {  169}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 6    and name HB3 ))
 OR {  169}
   (( segid "A   " and resid 3    and name H   ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  177}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.10526E-02 ppm1      7.101 ppm2      4.279 CV     1
 OR {  177}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI {  180}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "B   " and resid 41   and name HB3 ))
      2.600     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.15224E-02 ppm1      7.096 ppm2      2.190 CV     1
 OR {  180}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR {  180}
   (( segid "A   " and resid 6    and name H   ))
   (( segid "A   " and resid 6    and name HB3 ))
 ASSI {  184}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 4    and name HA  ))
      3.600     1.600     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.11529E-02 ppm1      8.057 ppm2      4.351 CV     1
 OR {  184}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "B   " and resid 4    and name HA  ))
 ASSI {  186}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.88939E-03 ppm1      8.054 ppm2      4.062 CV     1
 OR {  186}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI {  187}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "A   " and resid 4    and name HB2 ))
      4.400     2.400     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.81519E-03 ppm1      8.057 ppm2      2.546 CV     1
 OR {  187}
   (( segid "A   " and resid 7    and name H   ))
   (( segid "B   " and resid 4    and name HB2 ))
 ASSI {  198}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.92878E-03 ppm1      8.303 ppm2      4.349 CV     1
 OR {  198}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 4    and name HA  ))
 ASSI {  199}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.33423E-02 ppm1      8.304 ppm2      4.278 CV     1
 OR {  199}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI {  201}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HB  ))
      4.400     2.400     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.73638E-03 ppm1      8.300 ppm2      2.365 CV     1
 OR {  201}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 12   and name HG3 ))
 OR {  201}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HB  ))
 ASSI {  202}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 9    and name HB2 ))
      4.400     2.400     1.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.67191E-03 ppm1      8.299 ppm2      2.186 CV     1
 OR {  202}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 41   and name HB3 ))
 OR {  202}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 4    and name HB3 ))
 OR {  202}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 4    and name HB3 ))
 OR {  202}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 4    and name HG3 ))
 ASSI {  207}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG12))
      4.300     2.400     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.57673E-03 ppm1      8.300 ppm2      1.256 CV     1
 OR {  207}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG13))
 OR {  207}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG11))
 OR {  207}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG13))
 OR {  207}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG12))
 ASSI {  209}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG21))
      3.800     1.800     1.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.89962E-03 ppm1      8.301 ppm2      0.935 CV     1
 OR {  209}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG23))
 OR {  209}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG22))
 OR {  209}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG21))
 OR {  209}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG22))
 ASSI {  225}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16723E-02 ppm1      7.799 ppm2      4.144 CV     1
 OR {  225}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI {  227}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12067E-02 ppm1      7.801 ppm2      2.385 CV     1
 OR {  227}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 12   and name HG3 ))
 OR {  227}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 11   and name HB  ))
 OR {  227}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 12   and name HB3 ))
 ASSI {  229}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 9    and name HG  ))
      2.700     2.700     3.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.92623E-03 ppm1      7.799 ppm2      1.914 CV     1
 OR {  229}
   (( segid "B   " and resid 10   and name H   ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  241}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.20316E-02 ppm1      8.535 ppm2      4.150 CV     1
 OR {  241}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 9    and name HA  ))
 OR {  241}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  245}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HB1 ))
      4.000     2.000     2.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.12113E-02 ppm1      8.532 ppm2      1.687 CV     1
 OR {  245}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR {  245}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR {  245}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HB3 ))
 OR {  245}
   (( segid "B   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  252}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 9    and name HA  ))
      2.900     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.22532E-02 ppm1      8.667 ppm2      4.143 CV     1
 OR {  252}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI {  258}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HB2 ))
      3.900     1.900     1.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.97792E-03 ppm1      8.669 ppm2      1.687 CV     1
 OR {  258}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HB3 ))
 OR {  258}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  258}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HB1 ))
 OR {  258}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HB2 ))
 ASSI {  259}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 11   and name HG12))
      3.600     1.600     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.23089E-02 ppm1      8.668 ppm2      1.259 CV     1
 OR {  259}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 11   and name HG11))
 OR {  259}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 11   and name HG13))
 OR {  259}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 13   and name HG11))
 OR {  259}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 13   and name HG12))
 ASSI {  262}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 9    and name HD12))
      4.500     2.600     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.59003E-03 ppm1      8.665 ppm2      0.811 CV     1
 OR {  262}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 9    and name HD13))
 OR {  262}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "B   " and resid 9    and name HD11))
 OR {  262}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "A   " and resid 9    and name HD13))
 OR {  262}
   (( segid "B   " and resid 12   and name H   ))
   (( segid "A   " and resid 9    and name HD11))
 ASSI {  265}
   (( segid "B   " and resid 13   and name H   ))
   (( segid "B   " and resid 72   and name HZ  ))
      4.800     2.800     1.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.62125E-03 ppm1      8.292 ppm2      6.920 CV     1
 OR {  265}
   (( segid "B   " and resid 13   and name H   ))
   (  segid "A   " and resid 90   and name HD% )
 ASSI {  286}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 13   and name HG11))
      3.800     1.800     1.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.21902E-02 ppm1      9.096 ppm2      1.266 CV     1
 OR {  286}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 13   and name HG12))
 OR {  286}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 13   and name HG13))
 OR {  286}
   (( segid "B   " and resid 14   and name H   ))
   (( segid "B   " and resid 11   and name HG11))
 ASSI {  295}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 11   and name HB  ))
      3.900     1.900     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.65554E-03 ppm1      8.725 ppm2      2.392 CV     1
 OR {  295}
   (( segid "B   " and resid 15   and name H   ))
   (( segid "B   " and resid 13   and name HB  ))
 ASSI {  340}
   (( segid "B   " and resid 68   and name HD22))
   (( segid "B   " and resid 68   and name HA  ))
      4.300     2.300     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.80599E-03 ppm1      6.846 ppm2      4.148 CV     1
 OR {  340}
   (( segid "A   " and resid 68   and name HD22))
   (( segid "A   " and resid 68   and name HA  ))
 ASSI {  342}
   (( segid "A   " and resid 68   and name HD22))
   (( segid "A   " and resid 68   and name HB2 ))
      3.600     1.600     1.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.43092E-02 ppm1      6.842 ppm2      3.199 CV     1
 OR {  342}
   (( segid "B   " and resid 68   and name HD22))
   (( segid "B   " and resid 68   and name HB2 ))
 ASSI {  343}
   (( segid "B   " and resid 68   and name HD22))
   (( segid "B   " and resid 68   and name HB3 ))
      3.700     1.700     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.26436E-02 ppm1      6.841 ppm2      3.125 CV     1
 OR {  343}
   (( segid "A   " and resid 68   and name HD22))
   (( segid "A   " and resid 68   and name HB3 ))
 ASSI {  348}
   (( segid "A   " and resid 68   and name HD22))
   (( segid "A   " and resid 68   and name HD21))
      1.400     0.200     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.55726E-01 ppm1      6.841 ppm2      7.509 CV     1
 OR {  348}
   (( segid "B   " and resid 68   and name HD22))
   (( segid "B   " and resid 68   and name HD21))
 ASSI {  397}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.18591E-02 ppm1      9.575 ppm2      4.487 CV     1
 OR {  397}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 25   and name HA  ))
 ASSI {  398}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16304E-02 ppm1      9.574 ppm2      4.413 CV     1
 OR {  398}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 26   and name HA  ))
 ASSI {  399}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 27   and name HB2 ))
      2.900     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.30105E-02 ppm1      9.575 ppm2      3.776 CV     1
 OR {  399}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  400}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.35780E-02 ppm1      9.571 ppm2      3.168 CV     1
 OR {  400}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 27   and name HB3 ))
 ASSI {  403}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name HB3 ))
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.59872E-03 ppm1      9.567 ppm2      1.712 CV     1
 OR {  403}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name HB2 ))
 OR {  403}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name HD2 ))
 ASSI {  404}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.99122E-03 ppm1      9.567 ppm2      1.596 CV     1
 OR {  404}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {  405}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.000     2.000     2.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.66677E-03 ppm1      9.569 ppm2      1.514 CV     1
 OR {  405}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name HG2 ))
 OR {  405}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI {  406}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 26   and name HB3 ))
      3.800     1.800     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.11509E-02 ppm1      9.575 ppm2      1.434 CV     1
 OR {  406}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 26   and name HB3 ))
 ASSI {  407}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 26   and name HG2 ))
      3.900     1.900     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11146E-02 ppm1      9.571 ppm2      1.308 CV     1
 OR {  407}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 26   and name HG2 ))
 ASSI {  411}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 17   and name HA  ))
      2.800     2.800     3.200 peak   411 spectrum    1 weight  0.10000E+01 volume  0.22020E-02 ppm1      7.195 ppm2      4.826 CV     1
 OR {  411}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 69   and name HA  ))
 ASSI {  433}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.71436E-03 ppm1      9.631 ppm2      2.158 CV     1
 OR {  433}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 69   and name HG2 ))
 OR {  433}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI {  434}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 59   and name HE1 ))
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      9.624 ppm2      1.895 CV     1
 OR {  434}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 59   and name HE2 ))
 OR {  434}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR {  434}
   (( segid "A   " and resid 30   and name H   ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI {  446}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 69   and name HG2 ))
      4.600     2.700     1.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.55574E-03 ppm1      8.396 ppm2      2.158 CV     1
 OR {  446}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 59   and name HB2 ))
 OR {  446}
   (( segid "A   " and resid 31   and name H   ))
   (( segid "A   " and resid 69   and name HB3 ))
 ASSI {  456}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 33   and name HG2 ))
      4.200     2.200     1.800 peak   456 spectrum    1 weight  0.10000E+01 volume  0.79421E-03 ppm1      7.661 ppm2      2.512 CV     1
 OR {  456}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 59   and name HG2 ))
 ASSI {  459}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 35   and name HB2 ))
      4.100     2.100     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.86944E-03 ppm1      7.661 ppm2      1.785 CV     1
 OR {  459}
   (( segid "A   " and resid 32   and name H   ))
   (( segid "A   " and resid 31   and name HD3 ))
 ASSI {  472}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 59   and name HE1 ))
      3.500     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.15951E-02 ppm1      8.923 ppm2      1.896 CV     1
 OR {  472}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 59   and name HE2 ))
 OR {  472}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 59   and name HE3 ))
 OR {  472}
   (( segid "A   " and resid 34   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
 ASSI {  486}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 36   and name HB2 ))
      4.700     2.700     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.55113E-03 ppm1      7.968 ppm2      2.213 CV     1
 OR {  486}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 33   and name HB2 ))
 OR {  486}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 36   and name HB3 ))
 ASSI {  488}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 38   and name HB2 ))
      4.000     2.000     2.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.82030E-03 ppm1      7.972 ppm2      1.894 CV     1
 OR {  488}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 59   and name HE1 ))
 OR {  488}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 38   and name HG  ))
 OR {  488}
   (( segid "A   " and resid 35   and name H   ))
   (( segid "A   " and resid 59   and name HE3 ))
 ASSI {  508}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 37   and name H   ))
      2.400     0.700     0.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.47228E-02 ppm1      7.847 ppm2      7.953 CV     1
 OR {  508}
   (( segid "A   " and resid 36   and name H   ))
   (( segid "A   " and resid 35   and name H   ))
 ASSI {  509}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 39   and name H   ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.28739E-02 ppm1      8.556 ppm2      7.943 CV     1
 OR {  509}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 37   and name H   ))
 ASSI {  511}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 36   and name HA  ))
      4.300     2.300     1.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.63455E-03 ppm1      8.565 ppm2      3.890 CV     1
 OR {  511}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI {  513}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 78   and name HB2 ))
      3.500     1.500     1.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      8.569 ppm2      3.424 CV     1
 OR {  513}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 77   and name HA  ))
 OR {  513}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "A   " and resid 80   and name HB3 ))
 ASSI {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 42   and name HD12))
      3.400     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.16053E-02 ppm1      8.555 ppm2      0.876 CV     1
 OR {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 37   and name HD21))
 OR {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 37   and name HD23))
 OR {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 37   and name HD22))
 OR {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 42   and name HD11))
 OR {  519}
   (( segid "A   " and resid 38   and name H   ))
   (( segid "A   " and resid 42   and name HD13))
 ASSI {  529}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD12))
      4.600     2.600     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.64479E-03 ppm1      7.941 ppm2      0.989 CV     1
 OR {  529}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD11))
 OR {  529}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 46   and name HD21))
 OR {  529}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 46   and name HD23))
 OR {  529}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD13))
 ASSI {  530}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD23))
      4.700     2.800     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.69341E-03 ppm1      7.937 ppm2      0.922 CV     1
 OR {  530}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD22))
 OR {  530}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name HD21))
 OR {  530}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 37   and name HD12))
 ASSI {  531}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 38   and name H   ))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      7.941 ppm2      8.562 CV     1
 OR {  531}
   (( segid "A   " and resid 39   and name H   ))
   (( segid "A   " and resid 41   and name H   ))
 ASSI {  537}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      8.111 ppm2      3.900 CV     1
 OR {  537}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 36   and name HA  ))
 ASSI {  545}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 41   and name H   ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.20761E-02 ppm1      8.111 ppm2      8.577 CV     1
 OR {  545}
   (( segid "A   " and resid 40   and name H   ))
   (( segid "A   " and resid 38   and name H   ))
 ASSI {  548}
   (( segid "A   " and resid 41   and name H   ))
   (  segid "A   " and resid 19   and name HE% )
      3.500     1.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.59106E-03 ppm1      8.575 ppm2      6.843 CV     1
 OR {  548}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 78   and name HZ  ))
 ASSI {  555}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 42   and name HG  ))
      4.300     2.400     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      8.577 ppm2      1.536 CV     1
 OR {  555}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 15   and name HG21))
 OR {  555}
   (( segid "A   " and resid 41   and name H   ))
   (( segid "A   " and resid 15   and name HG23))
 ASSI {  568}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "A   " and resid 46   and name HD12))
      4.600     2.600     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.66884E-03 ppm1      7.703 ppm2      1.060 CV     1
 OR {  568}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "B   " and resid 5    and name HD12))
 OR {  568}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "B   " and resid 5    and name HD11))
 OR {  568}
   (( segid "A   " and resid 42   and name H   ))
   (( segid "B   " and resid 5    and name HD13))
 ASSI {  593}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 42   and name HB3 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      7.947 ppm2      1.938 CV     1
 OR {  593}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HG  ))
 ASSI {  596}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD23))
      4.600     2.700     1.400 peak   596 spectrum    1 weight  0.10000E+01 volume  0.90321E-03 ppm1      7.951 ppm2      0.969 CV     1
 OR {  596}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD22))
 OR {  596}
   (( segid "A   " and resid 45   and name H   ))
   (( segid "A   " and resid 46   and name HD21))
 OR {  596}
   (( segid "A   " and resid 45   and name H   ))
   (  segid "C   " and resid 1900  and name HD1%)
 ASSI {  602}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 44   and name HA  ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.90476E-03 ppm1      7.282 ppm2      4.232 CV     1
 OR {  602}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 47   and name HA2 ))
 ASSI {  609}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 47   and name H   ))
      3.000     1.200     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.14037E-02 ppm1      7.282 ppm2      8.586 CV     1
 OR {  609}
   (( segid "A   " and resid 46   and name H   ))
   (( segid "A   " and resid 48   and name H   ))
 ASSI {  614}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.69134E-02 ppm1      8.587 ppm2      4.473 CV     1
 OR {  614}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 45   and name HA  ))
 ASSI {  617}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 46   and name HG  ))
      4.200     2.200     1.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.86430E-03 ppm1      8.587 ppm2      1.942 CV     1
 OR {  617}
   (( segid "A   " and resid 47   and name H   ))
   (( segid "A   " and resid 48   and name HB2 ))
 ASSI {  634}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.62125E-02 ppm1      8.259 ppm2      4.249 CV     1
 OR {  634}
   (( segid "A   " and resid 49   and name H   ))
   (( segid "A   " and resid 47   and name HA2 ))
 ASSI {  649}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 46   and name HB3 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.13080E-02 ppm1      8.306 ppm2      1.813 CV     1
 OR {  649}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 49   and name HB3 ))
 OR {  649}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI {  651}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 39   and name HG21))
      4.500     2.600     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.58131E-03 ppm1      8.309 ppm2      1.367 CV     1
 OR {  651}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 39   and name HG22))
 OR {  651}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 39   and name HG23))
 OR {  651}
   (( segid "A   " and resid 50   and name H   ))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI {  705}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.873 ppm2      4.238 CV     1
 OR {  705}
   (( segid "A   " and resid 54   and name H   ))
   (( segid "A   " and resid 55   and name HA  ))
 ASSI {  738}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.25541E-02 ppm1      7.899 ppm2      4.243 CV     1
 OR {  738}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 55   and name HA  ))
 ASSI {  748}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 53   and name HB3 ))
      2.800     2.800     3.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.86585E-03 ppm1      7.903 ppm2      1.506 CV     1
 OR {  748}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 53   and name HB1 ))
 OR {  748}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 53   and name HB2 ))
 OR {  748}
   (( segid "A   " and resid 56   and name H   ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  776}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.47047E-02 ppm1      7.955 ppm2      3.868 CV     1
 OR {  776}
   (( segid "A   " and resid 59   and name H   ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI {  795}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.22905E-02 ppm1      8.072 ppm2      3.869 CV     1
 OR {  795}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI {  800}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 62   and name HB2 ))
      4.300     2.300     1.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.58645E-03 ppm1      8.071 ppm2      1.776 CV     1
 OR {  800}
   (( segid "A   " and resid 60   and name H   ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI {  812}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.26436E-02 ppm1      8.337 ppm2      3.867 CV     1
 OR {  812}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 59   and name HA  ))
 ASSI {  815}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 59   and name HB2 ))
      3.800     1.800     1.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.61663E-03 ppm1      8.334 ppm2      2.172 CV     1
 OR {  815}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "C   " and resid 1900  and name HG  ))
 OR {  815}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 85   and name HE3 ))
 OR {  815}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 85   and name HE2 ))
 ASSI {  816}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 62   and name HG  ))
      4.700     2.800     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1      8.335 ppm2      2.060 CV     1
 OR {  816}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "C   " and resid 1900  and name HB3 ))
 ASSI {  817}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 57   and name HD2 ))
      4.700     2.800     1.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.62380E-03 ppm1      8.338 ppm2      1.651 CV     1
 OR {  817}
   (( segid "A   " and resid 61   and name H   ))
   (  segid "C   " and resid 1907  and name HB% )
 ASSI {  818}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 58   and name HG  ))
      3.900     1.900     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.10173E-02 ppm1      8.341 ppm2      1.396 CV     1
 OR {  818}
   (( segid "A   " and resid 61   and name H   ))
   (( segid "A   " and resid 57   and name HG2 ))
 ASSI {  827}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      7.709 ppm2      3.869 CV     1
 OR {  827}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI {  839}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 58   and name HD13))
      4.400     2.400     1.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.93646E-03 ppm1      7.712 ppm2      0.869 CV     1
 OR {  839}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 70   and name HG21))
 OR {  839}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 70   and name HG23))
 OR {  839}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 70   and name HG22))
 OR {  839}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 58   and name HD11))
 ASSI {  842}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "C   " and resid 1908  and name H   ))
      4.000     2.000     2.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      7.717 ppm2      8.921 CV     1
 OR {  842}
   (( segid "A   " and resid 62   and name H   ))
   (( segid "A   " and resid 75   and name H   ))
 ASSI {  848}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "A   " and resid 61   and name HA  ))
      3.200     3.200     2.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.61102E-03 ppm1      7.865 ppm2      4.451 CV     1
 OR {  848}
   (( segid "A   " and resid 63   and name H   ))
   (( segid "C   " and resid 1908  and name HA  ))
 ASSI {  869}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 74   and name HG3 ))
      3.000     1.200     1.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17798E-02 ppm1      8.254 ppm2      2.926 CV     1
 OR {  869}
   (( segid "A   " and resid 64   and name H   ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI {  882}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 74   and name HG3 ))
      4.400     2.400     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.60588E-03 ppm1      8.015 ppm2      2.924 CV     1
 OR {  882}
   (( segid "A   " and resid 65   and name H   ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI {  894}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.63097E-02 ppm1      8.600 ppm2      4.148 CV     1
 OR {  894}
   (( segid "A   " and resid 67   and name H   ))
   (( segid "A   " and resid 68   and name HA  ))
 ASSI {  902}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 67   and name HB2 ))
      3.400     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      7.854 ppm2      3.189 CV     1
 OR {  902}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 68   and name HB2 ))
 ASSI {  904}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 67   and name HB3 ))
      3.800     1.800     1.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.74662E-03 ppm1      7.855 ppm2      2.424 CV     1
 OR {  904}
   (( segid "A   " and resid 69   and name H   ))
   (( segid "A   " and resid 63   and name HB3 ))
 ASSI {  914}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 69   and name HB3 ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.19676E-02 ppm1      9.996 ppm2      2.144 CV     1
 OR {  914}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 29   and name HB2 ))
 OR {  914}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 69   and name HG2 ))
 ASSI {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 34   and name HD11))
      4.200     2.200     1.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.83515E-03 ppm1      9.993 ppm2      0.773 CV     1
 OR {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 34   and name HD13))
 OR {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 34   and name HD12))
 OR {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 29   and name HD13))
 OR {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {  919}
   (( segid "A   " and resid 70   and name H   ))
   (( segid "A   " and resid 34   and name HD23))
 ASSI {  938}
   (( segid "A   " and resid 73   and name H   ))
   (  segid "A   " and resid 75   and name HD% )
      4.500     2.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.77987E-03 ppm1      8.271 ppm2      6.911 CV     1
 OR {  938}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 72   and name HZ  ))
 ASSI {  946}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 71   and name HB3 ))
      3.100     1.200     1.200 peak   946 spectrum    1 weight  0.10000E+01 volume  0.27935E-02 ppm1      8.271 ppm2      2.757 CV     1
 OR {  946}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 72   and name HB2 ))
 ASSI {  948}
   (( segid "B   " and resid 73   and name H   ))
   (( segid "B   " and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.61663E-02 ppm1      8.272 ppm2      2.374 CV     1
 OR {  948}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 73   and name HB2 ))
 ASSI {  949}
   (( segid "B   " and resid 73   and name H   ))
   (( segid "B   " and resid 73   and name HB3 ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.47713E-02 ppm1      8.271 ppm2      2.270 CV     1
 OR {  949}
   (( segid "A   " and resid 73   and name H   ))
   (( segid "A   " and resid 73   and name HB3 ))
 ASSI {  982}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 29   and name HD13))
      4.700     2.700     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.55471E-03 ppm1      8.905 ppm2      0.769 CV     1
 OR {  982}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 29   and name HD11))
 OR {  982}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 34   and name HD22))
 OR {  982}
   (( segid "A   " and resid 75   and name H   ))
   (( segid "A   " and resid 29   and name HD12))
 ASSI {  988}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.11427E-02 ppm1      8.464 ppm2      3.274 CV     1
 OR {  988}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI {  992}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "B   " and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.69238E-03 ppm1      8.462 ppm2      2.383 CV     1
 OR {  992}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "B   " and resid 84   and name HB3 ))
 OR {  992}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HB  ))
 ASSI {  994}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG23))
      4.400     2.400     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.60488E-03 ppm1      8.462 ppm2      1.176 CV     1
 OR {  994}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG21))
 OR {  994}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 70   and name HG12))
 OR {  994}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 70   and name HG13))
 OR {  994}
   (( segid "A   " and resid 76   and name H   ))
   (( segid "A   " and resid 77   and name HG22))
 ASSI { 1002}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.300     1.300     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.10982E-02 ppm1      8.431 ppm2      3.159 CV     1
 OR { 1002}
   (( segid "A   " and resid 77   and name H   ))
   (( segid "C   " and resid 1911  and name HB2 ))
 ASSI { 1016}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 77   and name HB  ))
      3.400     1.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      8.232 ppm2      2.372 CV     1
 OR { 1016}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HB  ))
 ASSI { 1019}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 79   and name HG  ))
      3.900     1.900     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.99329E-03 ppm1      8.236 ppm2      1.258 CV     1
 OR { 1019}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG12))
 OR { 1019}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG12))
 OR { 1019}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG13))
 OR { 1019}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG13))
 OR { 1019}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG11))
 OR { 1019}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG11))
 OR { 1019}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1021}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 82   and name HG13))
      4.400     2.500     1.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.60947E-03 ppm1      8.226 ppm2      1.109 CV     1
 OR { 1021}
   (( segid "A   " and resid 78   and name H   ))
   (  segid "C   " and resid 1900  and name HD2%)
 ASSI { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG21))
      3.400     1.400     1.400 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.22153E-02 ppm1      8.237 ppm2      0.942 CV     1
 OR { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 1022}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 1022}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 1022}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 1022}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG21))
 OR { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 1022}
   (( segid "A   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 1022}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 77   and name HG13))
 OR { 1022}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 77   and name HG11))
 OR { 1022}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 1022}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 77   and name HG12))
 OR { 1022}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HD13))
 OR { 1022}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HD12))
 ASSI { 1028}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 78   and name HA  ))
      3.600     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.78601E-03 ppm1      8.169 ppm2      4.273 CV     1
 OR { 1028}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1031}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 78   and name HB3 ))
      2.800     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.99787E-03 ppm1      8.171 ppm2      3.450 CV     1
 OR { 1031}
   (( segid "A   " and resid 79   and name H   ))
   (( segid "A   " and resid 77   and name HA  ))
 ASSI { 1042}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.83976E-03 ppm1      8.278 ppm2      3.566 CV     1
 OR { 1042}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 76   and name HA  ))
 ASSI { 1046}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 12   and name HE2 ))
      3.900     1.900     1.900 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.58593E-03 ppm1      8.282 ppm2      1.880 CV     1
 OR { 1046}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 12   and name HE3 ))
 OR { 1046}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 12   and name HE3 ))
 OR { 1046}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 12   and name HE1 ))
 OR { 1046}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 12   and name HE1 ))
 ASSI { 1049}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "A   " and resid 77   and name HG21))
      4.100     2.100     1.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.59106E-03 ppm1      8.284 ppm2      1.153 CV     1
 OR { 1049}
   (( segid "A   " and resid 80   and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
 OR { 1049}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 77   and name HG12))
 OR { 1049}
   (( segid "A   " and resid 80   and name H   ))
   (( segid "B   " and resid 77   and name HG11))
 ASSI { 1058}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.13366E-02 ppm1      8.589 ppm2      3.431 CV     1
 OR { 1058}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 80   and name HB3 ))
 ASSI { 1063}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 82   and name HB  ))
      4.600     2.700     1.400 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.57673E-03 ppm1      8.584 ppm2      1.590 CV     1
 OR { 1063}
   (( segid "A   " and resid 81   and name H   ))
   (  segid "C   " and resid 1903  and name HB% )
 ASSI { 1064}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "A   " and resid 77   and name HG21))
      4.000     2.000     2.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.57773E-03 ppm1      8.584 ppm2      1.147 CV     1
 OR { 1064}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "B   " and resid 77   and name HG11))
 OR { 1064}
   (( segid "A   " and resid 81   and name H   ))
   (( segid "B   " and resid 77   and name HG12))
 ASSI { 1065}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      7.807 ppm2      4.242 CV     1
 OR { 1065}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1067}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.18786E-02 ppm1      7.810 ppm2      3.318 CV     1
 OR { 1067}
   (( segid "A   " and resid 82   and name H   ))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI { 1079}
   (( segid "A   " and resid 83   and name H   ))
   (  segid "B   " and resid 72   and name HE% )
      4.900     3.000     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.59155E-03 ppm1      8.965 ppm2      6.991 CV     1
 OR { 1079}
   (( segid "A   " and resid 83   and name H   ))
   (  segid "A   " and resid 45   and name HE% )
 ASSI { 1080}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 81   and name HA  ))
      3.700     1.800     1.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.61867E-03 ppm1      8.972 ppm2      4.245 CV     1
 OR { 1080}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI { 1084}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.96358E-03 ppm1      8.972 ppm2      3.317 CV     1
 OR { 1084}
   (( segid "A   " and resid 83   and name H   ))
   (( segid "A   " and resid 81   and name HB2 ))
 ASSI { 1095}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "A   " and resid 80   and name HA  ))
      4.300     2.300     1.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.55829E-03 ppm1      8.923 ppm2      3.957 CV     1
 OR { 1095}
   (( segid "A   " and resid 84   and name H   ))
   (( segid "B   " and resid 73   and name HA  ))
 ASSI { 1156}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 86   and name HA  ))
      3.400     1.400     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      7.367 ppm2      4.182 CV     1
 OR { 1156}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 90   and name HA  ))
 ASSI { 1166}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 88   and name H   ))
      2.400     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.49340E-02 ppm1      7.370 ppm2      7.566 CV     1
 OR { 1166}
   (( segid "A   " and resid 89   and name H   ))
   (( segid "A   " and resid 90   and name H   ))
 ASSI { 1168}
   (( segid "A   " and resid 90   and name H   ))
   (  segid "A   " and resid 89   and name HD% )
      4.300     2.300     1.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      7.575 ppm2      7.136 CV     1
 OR { 1168}
   (( segid "A   " and resid 90   and name H   ))
   (  segid "A   " and resid 90   and name HE% )
 ASSI { 1179}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 88   and name HB3 ))
      4.500     2.600     1.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.61357E-03 ppm1      7.581 ppm2      1.896 CV     1
 OR { 1179}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 91   and name HG3 ))
 OR { 1179}
   (( segid "A   " and resid 90   and name H   ))
   (( segid "A   " and resid 91   and name HB2 ))
 ASSI { 1207}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 91   and name H   ))
      2.200     0.600     0.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.64224E-02 ppm1      7.188 ppm2      8.035 CV     1
 OR { 1207}
   (( segid "A   " and resid 92   and name H   ))
   (( segid "A   " and resid 93   and name H   ))
 ASSI { 1213}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 89   and name HA  ))
      4.000     2.000     2.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.10173E-02 ppm1      8.035 ppm2      4.447 CV     1
 OR { 1213}
   (( segid "A   " and resid 93   and name H   ))
   (( segid "A   " and resid 94   and name HA  ))
 ASSI { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG21))
      3.700     1.700     1.700 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.12149E-02 ppm1      8.244 ppm2      0.937 CV     1
 OR { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG23))
 OR { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "A   " and resid 11   and name HG22))
 OR { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG21))
 OR { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG22))
 OR { 1261}
   (( segid "B   " and resid 8    and name H   ))
   (( segid "B   " and resid 11   and name HG23))
 OR { 1261}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HD13))
 OR { 1261}
   (( segid "A   " and resid 78   and name H   ))
   (( segid "A   " and resid 62   and name HD12))
 ASSI { 1267}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "B   " and resid 7    and name HB2 ))
      3.800     1.800     1.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.11903E-02 ppm1      8.272 ppm2      2.081 CV     1
 OR { 1267}
   (( segid "B   " and resid 2    and name H   ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI { 1296}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      7.823 ppm2      4.160 CV     1
 OR { 1296}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 1297}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.93339E-03 ppm1      7.826 ppm2      4.061 CV     1
 OR { 1297}
   (( segid "A   " and resid 9    and name H   ))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 1306}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.30786E-02 ppm1      7.755 ppm2      4.273 CV     1
 OR { 1306}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI { 1307}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 6    and name HA  ))
      4.100     2.100     1.900 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.59361E-03 ppm1      7.755 ppm2      4.057 CV     1
 OR { 1307}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI { 1309}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 12   and name HG3 ))
      4.200     2.200     1.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.85713E-03 ppm1      7.755 ppm2      2.380 CV     1
 OR { 1309}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 11   and name HB  ))
 OR { 1309}
   (( segid "A   " and resid 10   and name H   ))
   (( segid "A   " and resid 13   and name HB  ))
 ASSI { 1323}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.10363E-02 ppm1      8.461 ppm2      4.272 CV     1
 OR { 1323}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 9    and name HA  ))
 OR { 1323}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 1324}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.13684E-02 ppm1      8.465 ppm2      4.164 CV     1
 OR { 1324}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 1328}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.000     2.000     2.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      8.462 ppm2      1.686 CV     1
 OR { 1328}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 1328}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 1328}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 1328}
   (( segid "A   " and resid 11   and name H   ))
   (( segid "B   " and resid 8    and name HB1 ))
 ASSI { 1332}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 11   and name H   ))
      2.500     0.800     0.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.24456E-02 ppm1      8.796 ppm2      8.452 CV     1
 OR { 1332}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 13   and name H   ))
 ASSI { 1334}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HA  ))
      3.700     1.800     1.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.77067E-03 ppm1      8.799 ppm2      4.164 CV     1
 OR { 1334}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HA  ))
 ASSI { 1336}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.10025E-02 ppm1      8.798 ppm2      3.942 CV     1
 OR { 1336}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "B   " and resid 83   and name HA  ))
 ASSI { 1342}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HB2 ))
      4.000     2.000     2.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.90372E-03 ppm1      8.796 ppm2      1.688 CV     1
 OR { 1342}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HB3 ))
 OR { 1342}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "B   " and resid 8    and name HB1 ))
 OR { 1342}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR { 1342}
   (( segid "A   " and resid 12   and name H   ))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI { 1349}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "A   " and resid 9    and name HA  ))
      4.000     2.000     2.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.68521E-03 ppm1      8.436 ppm2      4.260 CV     1
 OR { 1349}
   (( segid "A   " and resid 13   and name H   ))
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 1364}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 13   and name HG11))
      3.900     1.900     1.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17522E-02 ppm1      8.885 ppm2      1.273 CV     1
 OR { 1364}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 13   and name HG12))
 OR { 1364}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 13   and name HG13))
 OR { 1364}
   (( segid "A   " and resid 14   and name H   ))
   (( segid "A   " and resid 11   and name HG11))
 ASSI { 1390}
   (( segid "A   " and resid 16   and name H   ))
   (( segid "A   " and resid 17   and name HD2 ))
      4.300     2.300     1.700 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.58796E-03 ppm1      7.053 ppm2      7.424 CV     1
 OR { 1390}
   (( segid "A   " and resid 16   and name H   ))
   (  segid "A   " and resid 19   and name HD% )
 ASSI { 1395}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 18   and name HA  ))
      4.600     2.600     1.400 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.60640E-03 ppm1      7.008 ppm2      3.996 CV     1
 OR { 1395}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 15   and name HB  ))
 ASSI { 1422}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 21   and name H   ))
      2.900     1.000     1.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      8.328 ppm2      7.777 CV     1
 OR { 1422}
   (( segid "A   " and resid 20   and name H   ))
   (( segid "A   " and resid 18   and name H   ))
 ASSI { 1437}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.92061E-03 ppm1      7.777 ppm2      3.993 CV     1
 OR { 1437}
   (( segid "A   " and resid 21   and name H   ))
   (( segid "A   " and resid 22   and name HA  ))
 ASSI { 1453}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name HB3 ))
      4.300     2.300     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.60692E-03 ppm1      9.568 ppm2      1.741 CV     1
 OR { 1453}
   (( segid "A   " and resid 27   and name H   ))
   (( segid "A   " and resid 28   and name HB3 ))
 OR { 1453}
   (( segid "B   " and resid 27   and name H   ))
   (( segid "B   " and resid 28   and name HB2 ))
 ASSI { 1493}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.84435E-03 ppm1      8.031 ppm2      4.082 CV     1
 OR { 1493}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI { 1502}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD12))
      4.400     2.400     1.600 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.11002E-02 ppm1      8.028 ppm2      0.912 CV     1
 OR { 1502}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1502}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD13))
 OR { 1502}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1502}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 ASSI { 1503}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD21))
      4.600     2.700     1.400 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.60027E-03 ppm1      8.023 ppm2      0.841 CV     1
 OR { 1503}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1503}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 58   and name HD21))
 OR { 1503}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 34   and name HD22))
 OR { 1503}
   (( segid "B   " and resid 35   and name H   ))
   (( segid "B   " and resid 58   and name HD22))
 ASSI { 1508}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 34   and name HA  ))
      3.700     1.800     1.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.73535E-03 ppm1      7.850 ppm2      3.987 CV     1
 OR { 1508}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 39   and name HA  ))
 ASSI { 1518}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 39   and name HG23))
      4.200     2.200     1.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      7.847 ppm2      1.345 CV     1
 OR { 1518}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 39   and name HG22))
 OR { 1518}
   (( segid "B   " and resid 36   and name H   ))
   (( segid "B   " and resid 35   and name HD2 ))
 ASSI { 1520}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name H   ))
      2.700     0.900     0.900 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.20904E-02 ppm1      8.517 ppm2      7.949 CV     1
 OR { 1520}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 39   and name H   ))
 ASSI { 1521}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.68828E-03 ppm1      8.517 ppm2      3.979 CV     1
 OR { 1521}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 39   and name HA  ))
 ASSI { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HD13))
      3.700     1.700     1.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.76861E-03 ppm1      8.514 ppm2      0.914 CV     1
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HD12))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 34   and name HD12))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 34   and name HD13))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1531}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 58   and name HD12))
 ASSI { 1532}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HD21))
      3.500     1.500     1.500 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.17240E-02 ppm1      8.516 ppm2      0.851 CV     1
 OR { 1532}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HD23))
 OR { 1532}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 37   and name HD22))
 OR { 1532}
   (( segid "B   " and resid 38   and name H   ))
   (( segid "B   " and resid 34   and name HD21))
 ASSI { 1535}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.96820E-03 ppm1      7.957 ppm2      3.840 CV     1
 OR { 1535}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 36   and name HA  ))
 ASSI { 1536}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 42   and name HB2 ))
      4.100     2.100     1.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.74765E-03 ppm1      7.963 ppm2      2.059 CV     1
 OR { 1536}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HG  ))
 ASSI { 1537}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HB3 ))
      3.700     1.700     1.700 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      7.961 ppm2      1.993 CV     1
 OR { 1537}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 40   and name HG2 ))
 OR { 1537}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 40   and name HB3 ))
 ASSI { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD12))
      4.300     2.300     1.700 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.97537E-03 ppm1      7.963 ppm2      1.044 CV     1
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD11))
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD13))
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD23))
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 50   and name HG23))
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD22))
 OR { 1540}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name HD21))
 ASSI { 1542}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 38   and name H   ))
      2.900     1.100     1.100 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.13617E-02 ppm1      7.959 ppm2      8.515 CV     1
 OR { 1542}
   (( segid "B   " and resid 39   and name H   ))
   (( segid "B   " and resid 41   and name H   ))
 ASSI { 1548}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.74610E-03 ppm1      8.217 ppm2      3.839 CV     1
 OR { 1548}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 36   and name HA  ))
 ASSI { 1556}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 41   and name H   ))
      2.800     1.000     1.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.21252E-02 ppm1      8.218 ppm2      8.516 CV     1
 OR { 1556}
   (( segid "B   " and resid 40   and name H   ))
   (( segid "B   " and resid 38   and name H   ))
 ASSI { 1572}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      7.617 ppm2      3.416 CV     1
 OR { 1572}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 80   and name HB3 ))
 ASSI { 1578}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 41   and name HB3 ))
      3.900     1.900     1.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.76350E-03 ppm1      7.600 ppm2      2.188 CV     1
 OR { 1578}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 40   and name HB2 ))
 ASSI { 1579}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 43   and name HG2 ))
      5.000     3.100     1.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.71285E-03 ppm1      7.603 ppm2      2.153 CV     1
 OR { 1579}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "A   " and resid 5    and name HB2 ))
 ASSI { 1581}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HB3 ))
      3.700     1.700     1.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.67753E-03 ppm1      7.601 ppm2      2.001 CV     1
 OR { 1581}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 46   and name HG  ))
 ASSI { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HD23))
      4.700     2.700     1.300 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.10664E-02 ppm1      7.600 ppm2      1.040 CV     1
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "A   " and resid 5    and name HD12))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HD21))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "A   " and resid 5    and name HD11))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "A   " and resid 5    and name HD13))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HD22))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HD12))
 OR { 1585}
   (( segid "B   " and resid 42   and name H   ))
   (( segid "B   " and resid 38   and name HD11))
 ASSI { 1594}
   (( segid "B   " and resid 44   and name H   ))
   (( segid "B   " and resid 46   and name H   ))
      3.600     1.600     1.600 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.12358E-02 ppm1      9.965 ppm2      7.314 CV     1
 OR { 1594}
   (( segid "B   " and resid 44   and name H   ))
   (  segid "B   " and resid 45   and name HD% )
 ASSI { 1601}
   (( segid "B   " and resid 45   and name H   ))
   (  segid "B   " and resid 45   and name HD% )
      2.400     0.700     0.700 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.54037E-02 ppm1      8.047 ppm2      7.318 CV     1
 OR { 1601}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 46   and name H   ))
 ASSI { 1610}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 46   and name HG  ))
      3.800     1.800     1.800 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.73177E-03 ppm1      8.048 ppm2      1.996 CV     1
 OR { 1610}
   (( segid "B   " and resid 45   and name H   ))
   (( segid "B   " and resid 38   and name HB3 ))
 ASSI { 1651}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 49   and name HB3 ))
      2.900     1.000     1.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.34036E-02 ppm1      8.219 ppm2      1.754 CV     1
 OR { 1651}
   (( segid "B   " and resid 49   and name H   ))
   (( segid "B   " and resid 48   and name HD2 ))
 ASSI { 1665}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 35   and name HD2 ))
      4.200     2.200     1.800 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.72360E-03 ppm1      7.999 ppm2      1.321 CV     1
 OR { 1665}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 54   and name HB2 ))
 OR { 1665}
   (( segid "B   " and resid 50   and name H   ))
   (( segid "B   " and resid 54   and name HB3 ))
 ASSI { 1683}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 54   and name H   ))
      3.800     1.800     1.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      8.636 ppm2      7.983 CV     1
 OR { 1683}
   (( segid "B   " and resid 52   and name H   ))
   (( segid "B   " and resid 51   and name H   ))
 ASSI { 1691}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 54   and name H   ))
      2.400     0.700     0.700 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.61202E-02 ppm1      8.348 ppm2      7.997 CV     1
 OR { 1691}
   (( segid "B   " and resid 53   and name H   ))
   (( segid "B   " and resid 55   and name H   ))
 ASSI { 1706}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 53   and name HA  ))
      3.000     1.200     1.200 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1      8.000 ppm2      4.238 CV     1
 OR { 1706}
   (( segid "B   " and resid 54   and name H   ))
   (( segid "B   " and resid 50   and name HA  ))
 ASSI { 1721}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 55   and name H   ))
      2.300     0.600     0.600 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.72257E-02 ppm1      8.371 ppm2      7.983 CV     1
 OR { 1721}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name H   ))
 OR { 1721}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 54   and name H   ))
 ASSI { 1729}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name HB2 ))
      4.600     2.600     1.400 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.79266E-03 ppm1      8.374 ppm2      1.928 CV     1
 OR { 1729}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 1729}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name HB3 ))
 ASSI { 1730}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 31   and name HD2 ))
      4.100     2.100     1.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.74765E-03 ppm1      8.374 ppm2      1.772 CV     1
 OR { 1730}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 31   and name HD3 ))
 OR { 1730}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name HD3 ))
 ASSI { 1731}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 58   and name HB2 ))
      4.500     2.600     1.500 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.73997E-03 ppm1      8.370 ppm2      1.523 CV     1
 OR { 1731}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 53   and name HB3 ))
 OR { 1731}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 53   and name HB1 ))
 OR { 1731}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 53   and name HB2 ))
 ASSI { 1733}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      8.371 ppm2      4.076 CV     1
 OR { 1733}
   (( segid "B   " and resid 56   and name H   ))
   (( segid "B   " and resid 57   and name HA  ))
 ASSI { 1735}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 53   and name HA  ))
      3.000     3.000     3.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      7.976 ppm2      4.237 CV     1
 OR { 1735}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "C   " and resid 1921  and name HA  ))
 ASSI { 1737}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.18863E-02 ppm1      7.978 ppm2      4.027 CV     1
 OR { 1737}
   (( segid "B   " and resid 57   and name H   ))
   (( segid "B   " and resid 58   and name HA  ))
 ASSI { 1748}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.23315E-02 ppm1      8.001 ppm2      4.078 CV     1
 OR { 1748}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 57   and name HA  ))
 ASSI { 1749}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HA  ))
      2.600     0.800     0.800 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.26861E-02 ppm1      8.000 ppm2      4.024 CV     1
 OR { 1749}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 56   and name HA  ))
 ASSI { 1751}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.38124E-02 ppm1      8.000 ppm2      1.926 CV     1
 OR { 1751}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 58   and name HB3 ))
 OR { 1751}
   (( segid "B   " and resid 58   and name H   ))
   (( segid "B   " and resid 57   and name HB3 ))
 ASSI { 1761}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name H   ))
      2.700     0.900     0.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.25648E-02 ppm1      8.264 ppm2      7.997 CV     1
 OR { 1761}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 57   and name H   ))
 ASSI { 1763}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HA  ))
      2.900     1.100     1.100 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.29138E-02 ppm1      8.265 ppm2      4.028 CV     1
 OR { 1763}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 56   and name HA  ))
 OR { 1763}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 60   and name HB3 ))
 ASSI { 1769}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      8.263 ppm2      1.503 CV     1
 OR { 1769}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 31   and name HG3 ))
 ASSI { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HD13))
      3.900     1.900     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.14032E-02 ppm1      8.263 ppm2      0.904 CV     1
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 34   and name HD11))
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1771}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 ASSI { 1772}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 58   and name HD22))
      3.500     1.600     1.600 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.92623E-03 ppm1      8.265 ppm2      0.835 CV     1
 OR { 1772}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 34   and name HD23))
 OR { 1772}
   (( segid "B   " and resid 59   and name H   ))
   (( segid "B   " and resid 34   and name HD22))
 ASSI { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
      4.500     2.600     1.500 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.69748E-03 ppm1      8.051 ppm2      0.910 CV     1
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1782}
   (( segid "B   " and resid 60   and name H   ))
   (( segid "B   " and resid 58   and name HD11))
 ASSI { 1789}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.40739E-02 ppm1      7.718 ppm2      4.029 CV     1
 OR { 1789}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1789}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
      4.200     2.200     1.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      7.719 ppm2      0.906 CV     1
 OR { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 58   and name HD12))
 OR { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 58   and name HD13))
 OR { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 58   and name HD11))
 OR { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
 OR { 1795}
   (( segid "B   " and resid 61   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 ASSI { 1804}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 58   and name HA  ))
      4.300     2.300     1.700 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.80241E-03 ppm1      8.001 ppm2      4.025 CV     1
 OR { 1804}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 60   and name HB3 ))
 OR { 1804}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI { 1811}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
      3.800     1.800     1.800 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.13054E-02 ppm1      8.000 ppm2      0.908 CV     1
 OR { 1811}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1811}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1811}
   (( segid "B   " and resid 62   and name H   ))
   (  segid "C   " and resid 1921  and name HD2%)
 OR { 1811}
   (( segid "B   " and resid 62   and name H   ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1815}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      7.767 ppm2      4.306 CV     1
 OR { 1815}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 64   and name HA  ))
 ASSI { 1822}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
      3.800     1.800     1.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      7.767 ppm2      0.912 CV     1
 OR { 1822}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1822}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1822}
   (( segid "B   " and resid 63   and name H   ))
   (( segid "B   " and resid 34   and name HD13))
 ASSI { 1833}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 74   and name HG2 ))
      3.600     1.600     1.600 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.15730E-02 ppm1      8.303 ppm2      2.911 CV     1
 OR { 1833}
   (( segid "B   " and resid 64   and name H   ))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1842}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 64   and name HB2 ))
      3.600     1.700     1.700 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      8.177 ppm2      4.141 CV     1
 OR { 1842}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 66   and name HA  ))
 ASSI { 1843}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 64   and name HB3 ))
      3.600     1.700     1.700 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14712E-02 ppm1      8.177 ppm2      4.019 CV     1
 OR { 1843}
   (( segid "B   " and resid 65   and name H   ))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI { 1851}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 64   and name HA  ))
      3.400     1.400     1.400 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      7.687 ppm2      4.321 CV     1
 OR { 1851}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 60   and name HA  ))
 ASSI { 1854}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 65   and name HB3 ))
      4.200     2.200     1.800 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.82081E-03 ppm1      7.688 ppm2      2.908 CV     1
 OR { 1854}
   (( segid "B   " and resid 66   and name H   ))
   (( segid "B   " and resid 63   and name HB2 ))
 ASSI { 1865}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 66   and name HA  ))
      2.300     0.600     0.600 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.79473E-02 ppm1      8.734 ppm2      4.151 CV     1
 OR { 1865}
   (( segid "B   " and resid 67   and name H   ))
   (( segid "B   " and resid 68   and name HA  ))
 ASSI { 1873}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 67   and name HB2 ))
      3.500     1.500     1.500 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      7.816 ppm2      3.204 CV     1
 OR { 1873}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 68   and name HB2 ))
 ASSI { 1875}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 63   and name HB3 ))
      3.600     1.600     1.600 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.91806E-03 ppm1      7.818 ppm2      2.421 CV     1
 OR { 1875}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 67   and name HB3 ))
 ASSI { 1880}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 70   and name HG22))
      4.000     2.000     2.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.69083E-03 ppm1      7.816 ppm2      0.918 CV     1
 OR { 1880}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 70   and name HG23))
 OR { 1880}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 70   and name HG21))
 OR { 1880}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 34   and name HD11))
 ASSI { 1887}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.18811E-02 ppm1     10.039 ppm2      2.156 CV     1
 OR { 1887}
   (( segid "B   " and resid 70   and name H   ))
   (( segid "B   " and resid 69   and name HG2 ))
 ASSI { 1916}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.10245E-02 ppm1      8.899 ppm2      2.291 CV     1
 OR { 1916}
   (( segid "B   " and resid 74   and name H   ))
   (( segid "B   " and resid 73   and name HB3 ))
 ASSI { 1927}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 74   and name HG3 ))
      4.500     2.500     1.500 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.82746E-03 ppm1      8.747 ppm2      2.602 CV     1
 OR { 1927}
   (( segid "B   " and resid 75   and name H   ))
   (( segid "B   " and resid 76   and name HB3 ))
 ASSI { 1936}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "A   " and resid 80   and name HB3 ))
      4.600     2.700     1.400 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.64631E-03 ppm1      8.333 ppm2      3.424 CV     1
 OR { 1936}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 77   and name HA  ))
 OR { 1936}
   (( segid "B   " and resid 76   and name H   ))
   (( segid "B   " and resid 78   and name HB2 ))
 ASSI { 1967}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 77   and name HG23))
      3.500     1.500     1.500 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      7.668 ppm2      1.014 CV     1
 OR { 1967}
   (( segid "B   " and resid 78   and name H   ))
   (  segid "C   " and resid 1917  and name HD2%)
 OR { 1967}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 77   and name HG22))
 OR { 1967}
   (( segid "B   " and resid 78   and name H   ))
   (( segid "B   " and resid 79   and name HB3 ))
 ASSI { 1974}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.11248E-02 ppm1      8.579 ppm2      4.317 CV     1
 OR { 1974}
   (( segid "B   " and resid 79   and name H   ))
   (( segid "B   " and resid 75   and name HA  ))
 ASSI { 1984}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.92523E-03 ppm1      8.238 ppm2      3.561 CV     1
 OR { 1984}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "A   " and resid 76   and name HA  ))
 ASSI { 1987}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "A   " and resid 76   and name HB2 ))
      4.700     2.700     1.300 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      8.236 ppm2      3.163 CV     1
 OR { 1987}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 81   and name HB2 ))
 ASSI { 1988}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 81   and name HB3 ))
      4.400     2.400     1.600 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.77477E-03 ppm1      8.240 ppm2      2.561 CV     1
 OR { 1988}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "A   " and resid 76   and name HB3 ))
 ASSI { 1990}
   (( segid "B   " and resid 80   and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
      3.500     1.600     1.600 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      8.241 ppm2      1.166 CV     1
 OR { 1990}
   (( segid "B   " and resid 80   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
 ASSI { 1991}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 79   and name HB3 ))
      3.300     1.400     1.400 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.12584E-02 ppm1      8.240 ppm2      1.006 CV     1
 OR { 1991}
   (( segid "B   " and resid 80   and name H   ))
   (  segid "C   " and resid 1914  and name HG2%)
 ASSI { 1992}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 79   and name HD21))
      3.400     1.500     1.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.88274E-03 ppm1      8.241 ppm2      0.467 CV     1
 OR { 1992}
   (( segid "B   " and resid 80   and name H   ))
   (( segid "B   " and resid 82   and name HG13))
 ASSI { 1995}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.12793E-02 ppm1      7.621 ppm2      4.317 CV     1
 OR { 1995}
   (( segid "B   " and resid 81   and name H   ))
   (( segid "B   " and resid 78   and name HA  ))
 ASSI { 2004}
   (( segid "B   " and resid 82   and name H   ))
   (  segid "C   " and resid 1917  and name HD1%)
      2.700     2.700     3.300 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      7.939 ppm2      1.181 CV     1
 OR { 2004}
   (( segid "B   " and resid 82   and name H   ))
   (  segid "C   " and resid 1914  and name HG1%)
 ASSI { 2005}
   (( segid "B   " and resid 82   and name H   ))
   (  segid "C   " and resid 1930  and name HG2%)
      4.100     2.100     1.900 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.65247E-03 ppm1      7.936 ppm2      1.033 CV     1
 OR { 2005}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 38   and name HD21))
 OR { 2005}
   (( segid "B   " and resid 82   and name H   ))
   (( segid "B   " and resid 38   and name HD22))
 ASSI { 2019}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.81723E-03 ppm1      8.823 ppm2      3.284 CV     1
 OR { 2019}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "A   " and resid 76   and name HG  ))
 ASSI { 2023}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "A   " and resid 9    and name HD21))
      2.800     2.800     3.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.59465E-03 ppm1      8.822 ppm2      0.676 CV     1
 OR { 2023}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "A   " and resid 9    and name HD23))
 OR { 2023}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "A   " and resid 9    and name HD22))
 OR { 2023}
   (( segid "B   " and resid 83   and name H   ))
   (( segid "B   " and resid 42   and name HD21))
 ASSI { 2075}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 87   and name HA  ))
      2.900     1.100     1.100 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.24962E-02 ppm1      7.704 ppm2      4.260 CV     1
 OR { 2075}
   (( segid "B   " and resid 88   and name H   ))
   (( segid "B   " and resid 86   and name HA  ))
 ASSI { 2086}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      7.374 ppm2      4.256 CV     1
 OR { 2086}
   (( segid "B   " and resid 89   and name H   ))
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 2099}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      7.747 ppm2      4.258 CV     1
 OR { 2099}
   (( segid "B   " and resid 90   and name H   ))
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 2133}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.83053E-03 ppm1      7.968 ppm2      3.963 CV     1
 OR { 2133}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 91   and name HA  ))
 ASSI { 2135}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 92   and name HA3 ))
      3.000     1.100     1.100 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.62177E-02 ppm1      7.970 ppm2      3.727 CV     1
 OR { 2135}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 94   and name HD2 ))
 ASSI { 2139}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 91   and name HG2 ))
      4.300     2.300     1.700 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      7.969 ppm2      1.973 CV     1
 OR { 2139}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 94   and name HG3 ))
 OR { 2139}
   (( segid "B   " and resid 93   and name H   ))
   (( segid "B   " and resid 94   and name HG2 ))
 ASSI { 2162}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 95   and name HB3 ))
      3.500     1.600     1.600 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.12061E-02 ppm1      8.144 ppm2      2.681 CV     1
 OR { 2162}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name HB3 ))
 ASSI { 2192}
   (( segid "B   " and resid 37   and name H   ))
   (( segid "B   " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.31743E-02 ppm1      7.941 ppm2      1.670 CV     1
 OR { 2192}
   (( segid "A   " and resid 37   and name H   ))
   (( segid "A   " and resid 37   and name HB2 ))
 ASSI { 2203}
   (( segid "A   " and resid 29   and name H   ))
   (( segid "A   " and resid 29   and name HB3 ))
      3.700     1.700     1.700 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.12906E-02 ppm1      9.656 ppm2      1.235 CV     1
 OR { 2203}
   (( segid "B   " and resid 29   and name H   ))
   (( segid "B   " and resid 29   and name HB3 ))
 ASSI { 2207}
   (( segid "B   " and resid 28   and name H   ))
   (( segid "B   " and resid 27   and name HB3 ))
      3.900     1.900     1.900 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      7.210 ppm2      3.162 CV     1
 OR { 2207}
   (( segid "A   " and resid 28   and name H   ))
   (( segid "A   " and resid 27   and name HB3 ))
 ASSI { 2216}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HG3 ))
      2.900     1.000     1.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.18837E-02 ppm1      9.349 ppm2      1.263 CV     1
 OR { 2216}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HG3 ))
 ASSI { 2217}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HD3 ))
      3.100     1.200     1.200 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1      9.350 ppm2      1.633 CV     1
 OR { 2217}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HD3 ))
 OR { 2217}
   (( segid "B   " and resid 26   and name H   ))
   (( segid "B   " and resid 26   and name HD2 ))
 OR { 2217}
   (( segid "A   " and resid 26   and name H   ))
   (( segid "A   " and resid 26   and name HD2 ))
 ASSI { 2218}
   (( segid "A   " and resid 23   and name H   ))
   (( segid "A   " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.47632E-02 ppm1      9.611 ppm2      1.984 CV     1
 OR { 2218}
   (( segid "B   " and resid 23   and name H   ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI { 2235}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 26   and name HE3 ))
      4.100     2.100     1.900 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      7.007 ppm2      3.020 CV     1
 OR { 2235}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 26   and name HE2 ))
 OR { 2235}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "A   " and resid 75   and name HB3 ))
 OR { 2235}
   (( segid "A   " and resid 17   and name H   ))
   (( segid "B   " and resid 90   and name HB2 ))
 ASSI { 2243}
   (( segid "B   " and resid 96   and name H   ))
   (( segid "B   " and resid 95   and name HB2 ))
      4.100     2.100     1.900 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      8.145 ppm2      2.763 CV     1
 OR { 2243}
   (( segid "A   " and resid 96   and name H   ))
   (( segid "A   " and resid 95   and name HB2 ))
 ASSI { 2257}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.12051E-02 ppm1      7.817 ppm2      4.807 CV     1
 OR { 2257}
   (( segid "B   " and resid 69   and name H   ))
   (( segid "B   " and resid 67   and name HA  ))
 ASSI {    3}
   (  segid "A   " and resid 93   and name HD% )
   (( segid "A   " and resid 93   and name HB2 ))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.88038E-02 ppm1      7.295 ppm2      3.158 CV     1
 OR {    3}
   (  segid "B   " and resid 93   and name HD% )
   (( segid "B   " and resid 93   and name HB2 ))
 ASSI {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 37   and name HD22))
      2.600     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.34165E-02 ppm1      7.024 ppm2      0.862 CV     1
 OR {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 37   and name HD23))
 OR {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 58   and name HD12))
 OR {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 37   and name HD21))
 OR {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 58   and name HD13))
 OR {   37}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 58   and name HD11))
 ASSI {   38}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1900  and name HD1%)
      2.300     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.27695E-02 ppm1      7.018 ppm2      0.946 CV     1
 OR {   38}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 38   and name HD21))
 OR {   38}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 38   and name HD22))
 ASSI {   40}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "B   " and resid 5    and name HD11))
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      7.027 ppm2      1.089 CV     1
 OR {   40}
   (  segid "A   " and resid 78   and name HE% )
   (  segid "C   " and resid 1900  and name HD2%)
 OR {   40}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "B   " and resid 5    and name HD12))
 OR {   40}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "B   " and resid 5    and name HD13))
 OR {   40}
   (  segid "A   " and resid 78   and name HE% )
   (( segid "A   " and resid 82   and name HG13))
 ASSI {   49}
   (  segid "B   " and resid 78   and name HD% )
   (  segid "C   " and resid 1921  and name HD1%)
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.47738E-02 ppm1      7.013 ppm2      0.915 CV     1
 OR {   49}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD13))
 OR {   49}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD12))
 OR {   49}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD11))
 ASSI {   50}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD23))
      3.200     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.17285E-02 ppm1      7.009 ppm2      0.858 CV     1
 OR {   50}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD22))
 OR {   50}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 34   and name HD21))
 OR {   50}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 37   and name HD23))
 ASSI {   51}
   (  segid "B   " and resid 78   and name HD% )
   (  segid "C   " and resid 1917  and name HD2%)
      3.600     1.600     1.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25984E-02 ppm1      7.008 ppm2      1.029 CV     1
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 79   and name HB3 ))
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 38   and name HD11))
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 38   and name HD13))
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 38   and name HD12))
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 38   and name HD21))
 OR {   51}
   (  segid "B   " and resid 78   and name HD% )
   (( segid "B   " and resid 38   and name HD22))
 ASSI {   59}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 82   and name HG13))
      3.200     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.16429E-02 ppm1      6.889 ppm2      0.476 CV     1
 OR {   59}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 79   and name HD22))
 OR {   59}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 79   and name HD13))
 OR {   59}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 79   and name HD12))
 OR {   59}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 79   and name HD11))
 ASSI {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD23))
      2.800     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21078E-02 ppm1      6.890 ppm2      0.845 CV     1
 OR {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD21))
 OR {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 37   and name HD23))
 OR {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD22))
 OR {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 37   and name HD22))
 OR {   62}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 37   and name HD21))
 ASSI {   63}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD12))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.27969E-02 ppm1      6.891 ppm2      0.902 CV     1
 OR {   63}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD13))
 OR {   63}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 34   and name HD11))
 OR {   63}
   (  segid "B   " and resid 78   and name HE% )
   (( segid "B   " and resid 58   and name HD11))
 ASSI {   64}
   (  segid "B   " and resid 78   and name HE% )
   (  segid "C   " and resid 1921  and name HD1%)
      4.200     2.200     1.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17688E-02 ppm1      6.891 ppm2      0.938 CV     1
 OR {   64}
   (  segid "B   " and resid 78   and name HE% )
   (  segid "C   " and resid 1926  and name HD1%)
 ASSI {   76}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 58   and name HD23))
      2.600     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.52565E-02 ppm1      7.218 ppm2      0.798 CV     1
 OR {   76}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 58   and name HD21))
 OR {   76}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 34   and name HD12))
 OR {   76}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 34   and name HD11))
 OR {   76}
   (  segid "A   " and resid 55   and name HD% )
   (( segid "A   " and resid 34   and name HD13))
 ASSI {   97}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HD21))
      3.000     1.100     1.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.24709E-02 ppm1      7.319 ppm2      0.678 CV     1
 OR {   97}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HD22))
 OR {   97}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HD23))
 OR {   97}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "A   " and resid 9    and name HD23))
 ASSI {   98}
   (  segid "B   " and resid 45   and name HD% )
   (  segid "C   " and resid 1930  and name HG2%)
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.35231E-02 ppm1      7.319 ppm2      1.035 CV     1
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 38   and name HD21))
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 38   and name HD23))
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 38   and name HD22))
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "A   " and resid 5    and name HD12))
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "A   " and resid 5    and name HD13))
 OR {   98}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "A   " and resid 5    and name HD11))
 ASSI {   99}
   (  segid "B   " and resid 45   and name HD% )
   (  segid "C   " and resid 1930  and name HG1%)
      3.400     1.500     1.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.16268E-02 ppm1      7.316 ppm2      0.958 CV     1
 OR {   99}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 46   and name HD22))
 OR {   99}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 46   and name HD23))
 ASSI {  100}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 42   and name HB2 ))
      3.300     1.300     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.33358E-02 ppm1      7.316 ppm2      2.070 CV     1
 OR {  100}
   (  segid "B   " and resid 45   and name HD% )
   (( segid "B   " and resid 38   and name HG  ))
 ASSI {  105}
   (  segid "B   " and resid 45   and name HE% )
   (( segid "A   " and resid 9    and name HD23))
      3.000     1.100     1.100 peak   105 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      7.141 ppm2      0.668 CV     1
 OR {  105}
   (  segid "B   " and resid 45   and name HE% )
   (( segid "A   " and resid 9    and name HD22))
 OR {  105}
   (  segid "B   " and resid 45   and name HE% )
   (( segid "A   " and resid 9    and name HD21))
 OR {  105}
   (  segid "B   " and resid 45   and name HE% )
   (( segid "B   " and resid 42   and name HD21))
 ASSI {  110}
   (  segid "B   " and resid 27   and name HD% )
   (( segid "B   " and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.54147E-02 ppm1      7.494 ppm2      3.781 CV     1
 OR {  110}
   (  segid "A   " and resid 27   and name HD% )
   (( segid "A   " and resid 27   and name HB2 ))
 ASSI {  111}
   (  segid "B   " and resid 27   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.56456E-02 ppm1      7.490 ppm2      4.845 CV     1
 OR {  111}
   (  segid "A   " and resid 27   and name HD% )
   (( segid "A   " and resid 27   and name HA  ))
 ASSI {  112}
   (  segid "A   " and resid 27   and name HD% )
   (( segid "A   " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.58248E-02 ppm1      7.490 ppm2      3.158 CV     1
 OR {  112}
   (  segid "B   " and resid 27   and name HD% )
   (( segid "B   " and resid 27   and name HB3 ))
 ASSI {  113}
   (  segid "A   " and resid 27   and name HD% )
   (( segid "A   " and resid 27   and name H   ))
      2.900     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.34327E-02 ppm1      7.493 ppm2      9.567 CV     1
 OR {  113}
   (  segid "B   " and resid 27   and name HD% )
   (( segid "B   " and resid 27   and name H   ))
 ASSI {  116}
   (  segid "A   " and resid 27   and name HE% )
   (( segid "A   " and resid 26   and name HE2 ))
      2.500     2.500     3.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12511E-02 ppm1      7.413 ppm2      3.003 CV     1
 OR {  116}
   (  segid "B   " and resid 27   and name HE% )
   (( segid "B   " and resid 26   and name HE2 ))
 OR {  116}
   (  segid "A   " and resid 27   and name HE% )
   (( segid "A   " and resid 26   and name HE3 ))
 ASSI {  120}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 83   and name HB2 ))
      2.600     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.61990E-02 ppm1      6.918 ppm2      1.742 CV     1
 OR {  120}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 83   and name HB1 ))
 OR {  120}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 83   and name HB3 ))
 OR {  120}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 83   and name HB2 ))
 OR {  120}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 83   and name HB3 ))
 ASSI {  121}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 13   and name HG13))
      2.200     0.600     0.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.72964E-02 ppm1      6.921 ppm2      1.279 CV     1
 OR {  121}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG13))
 OR {  121}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG12))
 OR {  121}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG11))
 OR {  121}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 13   and name HG11))
 ASSI {  122}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 87   and name HB2 ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.19076E-02 ppm1      6.916 ppm2      2.381 CV     1
 OR {  122}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 13   and name HB  ))
 OR {  122}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HB  ))
 ASSI {  124}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.57231E-02 ppm1      6.923 ppm2      4.080 CV     1
 OR {  124}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HA  ))
 ASSI {  125}
   (( segid "B   " and resid 72   and name HZ  ))
   (( segid "B   " and resid 13   and name HG23))
      3.700     1.700     1.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      6.920 ppm2      0.851 CV     1
 OR {  125}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG23))
 OR {  125}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG21))
 OR {  125}
   (( segid "A   " and resid 72   and name HZ  ))
   (( segid "A   " and resid 13   and name HG22))
 ASSI {  128}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 72   and name HZ  ))
      2.000     0.500     0.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.10670E-01 ppm1      7.003 ppm2      6.921 CV     1
 OR {  128}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "B   " and resid 72   and name HZ  ))
 ASSI {  132}
   (  segid "A   " and resid 27   and name HE% )
   (  segid "A   " and resid 27   and name HD% )
      1.900     0.400     0.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.35376E-01 ppm1      7.417 ppm2      7.500 CV     1
 OR {  132}
   (  segid "B   " and resid 27   and name HE% )
   (  segid "B   " and resid 27   and name HD% )
 ASSI {  134}
   (  segid "B   " and resid 75   and name HD% )
   (  segid "B   " and resid 16   and name HD% )
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.42269E-02 ppm1      6.923 ppm2      5.629 CV     1
 OR {  134}
   (  segid "A   " and resid 75   and name HD% )
   (  segid "A   " and resid 16   and name HD% )
 ASSI {  139}
   (  segid "B   " and resid 89   and name HD% )
   (( segid "B   " and resid 89   and name H   ))
      1.900     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.25129E-01 ppm1      7.196 ppm2      7.377 CV     1
 OR {  139}
   (  segid "A   " and resid 89   and name HD% )
   (( segid "A   " and resid 89   and name H   ))
 ASSI {  142}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "B   " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.73803E-02 ppm1      7.005 ppm2      4.083 CV     1
 OR {  142}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HA  ))
 ASSI {  143}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "A   " and resid 83   and name HB1 ))
      2.600     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.45656E-02 ppm1      7.004 ppm2      1.744 CV     1
 OR {  143}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "A   " and resid 83   and name HB2 ))
 OR {  143}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "A   " and resid 83   and name HB3 ))
 OR {  143}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "B   " and resid 87   and name HB3 ))
 ASSI {  144}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "A   " and resid 87   and name HB2 ))
      2.800     1.000     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.24628E-02 ppm1      7.006 ppm2      2.397 CV     1
 OR {  144}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "B   " and resid 84   and name HB2 ))
 OR {  144}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HB  ))
 OR {  144}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "B   " and resid 13   and name HB  ))
 ASSI {  145}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG23))
      3.600     1.700     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.29647E-02 ppm1      7.007 ppm2      0.855 CV     1
 OR {  145}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG21))
 OR {  145}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG22))
 OR {  145}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "B   " and resid 13   and name HG23))
 OR {  145}
   (  segid "A   " and resid 45   and name HE% )
   (( segid "B   " and resid 13   and name HG23))
 OR {  145}
   (  segid "A   " and resid 45   and name HE% )
   (( segid "B   " and resid 13   and name HG21))
 OR {  145}
   (  segid "A   " and resid 45   and name HE% )
   (( segid "B   " and resid 13   and name HG22))
 ASSI {  146}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG13))
      3.000     1.100     1.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.25661E-02 ppm1      7.004 ppm2      1.279 CV     1
 OR {  146}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG11))
 OR {  146}
   (  segid "A   " and resid 72   and name HE% )
   (( segid "A   " and resid 13   and name HG12))
 OR {  146}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "B   " and resid 13   and name HG13))
 OR {  146}
   (  segid "B   " and resid 72   and name HE% )
   (( segid "B   " and resid 13   and name HG11))
 ASSI {  150}
   (  segid "A   " and resid 16   and name HE% )
   (  segid "A   " and resid 75   and name HD% )
      2.600     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.43835E-02 ppm1      6.282 ppm2      6.927 CV     1
 OR {  150}
   (  segid "B   " and resid 16   and name HE% )
   (  segid "B   " and resid 75   and name HD% )
 ASSI {  151}
   (  segid "A   " and resid 16   and name HE% )
   (  segid "A   " and resid 75   and name HE% )
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.30035E-02 ppm1      6.286 ppm2      6.703 CV     1
 OR {  151}
   (  segid "B   " and resid 16   and name HE% )
   (  segid "B   " and resid 75   and name HE% )
 ASSI {  154}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 37   and name HD12))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.66719E-02 ppm1      7.413 ppm2      0.912 CV     1
 OR {  154}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 37   and name HD12))
 OR {  154}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 37   and name HD11))
 OR {  154}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 37   and name HD11))
 OR {  154}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 37   and name HD13))
 ASSI {  155}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 15   and name HG22))
      2.800     1.000     1.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.30729E-02 ppm1      7.412 ppm2      1.529 CV     1
 OR {  155}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 15   and name HG22))
 OR {  155}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 15   and name HG23))
 OR {  155}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 15   and name HG21))
 OR {  155}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  156}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 18   and name HB3 ))
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.25484E-02 ppm1      7.415 ppm2      1.902 CV     1
 OR {  156}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 18   and name HB2 ))
 OR {  156}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  157}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 36   and name HB3 ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.45369E-02 ppm1      7.415 ppm2      2.198 CV     1
 OR {  157}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 36   and name HB3 ))
 OR {  157}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 36   and name HB2 ))
 OR {  157}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI {  158}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 37   and name HD12))
      3.400     1.400     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.20739E-02 ppm1      6.844 ppm2      0.903 CV     1
 OR {  158}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 37   and name HD12))
 OR {  158}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 37   and name HD11))
 OR {  158}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 37   and name HD11))
 OR {  158}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 37   and name HD13))
 ASSI {  159}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 15   and name HG22))
      2.300     0.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.71963E-02 ppm1      6.846 ppm2      1.526 CV     1
 OR {  159}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 15   and name HG21))
 OR {  159}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 15   and name HG22))
 OR {  159}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 15   and name HG21))
 OR {  159}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 15   and name HG23))
 ASSI {  160}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 36   and name HB3 ))
      2.500     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.54454E-02 ppm1      6.847 ppm2      2.198 CV     1
 OR {  160}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 36   and name HB3 ))
 OR {  160}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 40   and name HB2 ))
 OR {  160}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 36   and name HB2 ))
 OR {  160}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI {  161}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.32955E-02 ppm1      7.413 ppm2      2.355 CV     1
 OR {  161}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI {  163}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.37103E-02 ppm1      7.413 ppm2      2.939 CV     1
 OR {  163}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI {  164}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 36   and name HG3 ))
      3.000     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.64863E-02 ppm1      6.844 ppm2      2.425 CV     1
 OR {  164}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI {  166}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.28389E-02 ppm1      6.849 ppm2      2.610 CV     1
 OR {  166}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 37   and name HA  ))
 ASSI {  167}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 18   and name HE2 ))
      3.300     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.23240E-02 ppm1      6.847 ppm2      2.949 CV     1
 OR {  167}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 18   and name HE2 ))
 OR {  167}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 18   and name HE3 ))
 OR {  167}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 19   and name HB2 ))
 OR {  167}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI {  168}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 40   and name HD3 ))
      3.600     1.600     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.28485E-02 ppm1      6.849 ppm2      3.393 CV     1
 OR {  168}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 40   and name HD3 ))
 OR {  168}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 40   and name HD2 ))
 OR {  168}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 40   and name HD2 ))
 ASSI {  169}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.41559E-02 ppm1      7.413 ppm2      4.351 CV     1
 OR {  169}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 19   and name HA  ))
 ASSI {  170}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 29   and name HD21))
      3.500     1.600     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.17785E-02 ppm1      7.412 ppm2      0.285 CV     1
 OR {  170}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 29   and name HD21))
 OR {  170}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 29   and name HD22))
 OR {  170}
   (  segid "A   " and resid 19   and name HD% )
   (( segid "A   " and resid 29   and name HD22))
 OR {  170}
   (  segid "B   " and resid 19   and name HD% )
   (( segid "B   " and resid 29   and name HD23))
 ASSI {  172}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 40   and name HG3 ))
      3.100     1.200     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.16172E-02 ppm1      6.847 ppm2      2.001 CV     1
 OR {  172}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 40   and name HG2 ))
 OR {  172}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 40   and name HB3 ))
 ASSI {  173}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 18   and name HD2 ))
      3.800     1.800     1.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1      6.846 ppm2      1.732 CV     1
 OR {  173}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 18   and name HD2 ))
 ASSI {  174}
   (  segid "A   " and resid 19   and name HE% )
   (( segid "A   " and resid 18   and name HD3 ))
      2.600     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.21175E-02 ppm1      6.847 ppm2      1.672 CV     1
 OR {  174}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 18   and name HD3 ))
 OR {  174}
   (  segid "B   " and resid 19   and name HE% )
   (( segid "B   " and resid 37   and name HB2 ))
 ASSIGN  (segid "A   " and resid 3    and name C   ) (segid "A   " and resid 4    and name N   )
         (segid "A   " and resid 4    and name CA  ) (segid "A   " and resid 4    and name C   )  1.00 -55.13 24.87 2

 ASSIGN  (segid "A   " and resid 4    and name N   ) (segid "A   " and resid 4    and name CA  )
         (segid "A   " and resid 4    and name C   ) (segid "A   " and resid 5    and name N   )  1.00 -34.93 25.07 2

 ASSIGN  (segid "A   " and resid 4    and name C   ) (segid "A   " and resid 5    and name N   )
         (segid "A   " and resid 5    and name CA  ) (segid "A   " and resid 5    and name C   )  1.00 -63.63 16.37 2

 ASSIGN  (segid "A   " and resid 5    and name N   ) (segid "A   " and resid 5    and name CA  )
         (segid "A   " and resid 5    and name C   ) (segid "A   " and resid 6    and name N   )  1.00 -44.11 25.89 2

 ASSIGN  (segid "A   " and resid 5    and name C   ) (segid "A   " and resid 6    and name N   )
         (segid "A   " and resid 6    and name CA  ) (segid "A   " and resid 6    and name C   )  1.00 -59.98 30.02 2

 ASSIGN  (segid "A   " and resid 6    and name N   ) (segid "A   " and resid 6    and name CA  )
         (segid "A   " and resid 6    and name C   ) (segid "A   " and resid 7    and name N   )  1.00 -43.75 26.25 2

 ASSIGN  (segid "A   " and resid 6    and name C   ) (segid "A   " and resid 7    and name N   )
         (segid "A   " and resid 7    and name CA  ) (segid "A   " and resid 7    and name C   )  1.00 -64.51 25.49 2

 ASSIGN  (segid "A   " and resid 7    and name N   ) (segid "A   " and resid 7    and name CA  )
         (segid "A   " and resid 7    and name C   ) (segid "A   " and resid 8    and name N   )  1.00 -41.60 28.40 2

 ASSIGN  (segid "A   " and resid 7    and name C   ) (segid "A   " and resid 8    and name N   )
         (segid "A   " and resid 8    and name CA  ) (segid "A   " and resid 8    and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (segid "A   " and resid 8    and name N   ) (segid "A   " and resid 8    and name CA  )
         (segid "A   " and resid 8    and name C   ) (segid "A   " and resid 9    and name N   )  1.00 -44.69 25.31 2

 ASSIGN  (segid "A   " and resid 8    and name C   ) (segid "A   " and resid 9    and name N   )
         (segid "A   " and resid 9    and name CA  ) (segid "A   " and resid 9    and name C   )  1.00 -64.87 15.13 2

 ASSIGN  (segid "A   " and resid 9    and name N   ) (segid "A   " and resid 9    and name CA  )
         (segid "A   " and resid 9    and name C   ) (segid "A   " and resid 10   and name N   )  1.00 -44.83 15.17 2

 ASSIGN  (segid "A   " and resid 9    and name C   ) (segid "A   " and resid 10   and name N   )
         (segid "A   " and resid 10   and name CA  ) (segid "A   " and resid 10   and name C   )  1.00 -61.04 28.96 2

 ASSIGN  (segid "A   " and resid 10   and name N   ) (segid "A   " and resid 10   and name CA  )
         (segid "A   " and resid 10   and name C   ) (segid "A   " and resid 11   and name N   )  1.00 -44.77 25.23 2

 ASSIGN  (segid "A   " and resid 10   and name C   ) (segid "A   " and resid 11   and name N   )
         (segid "A   " and resid 11   and name CA  ) (segid "A   " and resid 11   and name C   )  1.00 -64.97 25.03 2

 ASSIGN  (segid "A   " and resid 11   and name N   ) (segid "A   " and resid 11   and name CA  )
         (segid "A   " and resid 11   and name C   ) (segid "A   " and resid 12   and name N   )  1.00 -44.20 25.80 2

 ASSIGN  (segid "A   " and resid 11   and name C   ) (segid "A   " and resid 12   and name N   )
         (segid "A   " and resid 12   and name CA  ) (segid "A   " and resid 12   and name C   )  1.00 -64.49 15.51 2

 ASSIGN  (segid "A   " and resid 12   and name N   ) (segid "A   " and resid 12   and name CA  )
         (segid "A   " and resid 12   and name C   ) (segid "A   " and resid 13   and name N   )  1.00 -42.88 27.12 2

 ASSIGN  (segid "A   " and resid 12   and name C   ) (segid "A   " and resid 13   and name N   )
         (segid "A   " and resid 13   and name CA  ) (segid "A   " and resid 13   and name C   )  1.00 -64.96 25.04 2

 ASSIGN  (segid "A   " and resid 13   and name N   ) (segid "A   " and resid 13   and name CA  )
         (segid "A   " and resid 13   and name C   ) (segid "A   " and resid 14   and name N   )  1.00 -44.64 25.36 2

 ASSIGN  (segid "A   " and resid 13   and name C   ) (segid "A   " and resid 14   and name N   )
         (segid "A   " and resid 14   and name CA  ) (segid "A   " and resid 14   and name C   )  1.00 -64.79 15.21 2

 ASSIGN  (segid "A   " and resid 14   and name N   ) (segid "A   " and resid 14   and name CA  )
         (segid "A   " and resid 14   and name C   ) (segid "A   " and resid 15   and name N   )  1.00 -35.50 34.50 2

 ASSIGN  (segid "A   " and resid 14   and name C   ) (segid "A   " and resid 15   and name N   )
         (segid "A   " and resid 15   and name CA  ) (segid "A   " and resid 15   and name C   )  1.00 -64.99 25.01 2

 ASSIGN  (segid "A   " and resid 15   and name N   ) (segid "A   " and resid 15   and name CA  )
         (segid "A   " and resid 15   and name C   ) (segid "A   " and resid 16   and name N   )  1.00 -44.95 15.05 2

 ASSIGN  (segid "A   " and resid 15   and name C   ) (segid "A   " and resid 16   and name N   )
         (segid "A   " and resid 16   and name CA  ) (segid "A   " and resid 16   and name C   )  1.00 -63.90 26.10 2

 ASSIGN  (segid "A   " and resid 16   and name N   ) (segid "A   " and resid 16   and name CA  )
         (segid "A   " and resid 16   and name C   ) (segid "A   " and resid 17   and name N   )  1.00 -44.70 25.30 2

 ASSIGN  (segid "A   " and resid 16   and name C   ) (segid "A   " and resid 17   and name N   )
         (segid "A   " and resid 17   and name CA  ) (segid "A   " and resid 17   and name C   )  1.00 -64.30 25.70 2

 ASSIGN  (segid "A   " and resid 17   and name N   ) (segid "A   " and resid 17   and name CA  )
         (segid "A   " and resid 17   and name C   ) (segid "A   " and resid 18   and name N   )  1.00 -41.44 28.56 2

 ASSIGN  (segid "A   " and resid 17   and name C   ) (segid "A   " and resid 18   and name N   )
         (segid "A   " and resid 18   and name CA  ) (segid "A   " and resid 18   and name C   )  1.00 -65.04 24.96 2

 ASSIGN  (segid "A   " and resid 18   and name N   ) (segid "A   " and resid 18   and name CA  )
         (segid "A   " and resid 18   and name C   ) (segid "A   " and resid 19   and name N   )  1.00 -36.58 23.42 2

 ASSIGN  (segid "A   " and resid 18   and name C   ) (segid "A   " and resid 19   and name N   )
         (segid "A   " and resid 19   and name CA  ) (segid "A   " and resid 19   and name C   )  1.00 -86.96 43.04 2

 ASSIGN  (segid "A   " and resid 19   and name N   ) (segid "A   " and resid 19   and name CA  )
         (segid "A   " and resid 19   and name C   ) (segid "A   " and resid 20   and name N   )  1.00 -17.51 42.49 2

 ASSIGN  (segid "A   " and resid 19   and name C   ) (segid "A   " and resid 20   and name N   )
         (segid "A   " and resid 20   and name CA  ) (segid "A   " and resid 20   and name C   )  1.00 -56.86 33.14 2

 ASSIGN  (segid "A   " and resid 20   and name N   ) (segid "A   " and resid 20   and name CA  )
         (segid "A   " and resid 20   and name C   ) (segid "A   " and resid 21   and name N   )  1.00 -33.30 36.70 2

 ASSIGN  (segid "A   " and resid 24   and name C   ) (segid "A   " and resid 25   and name N   )
         (segid "A   " and resid 25   and name CA  ) (segid "A   " and resid 25   and name C   )  1.00 -64.77 35.23 2

 ASSIGN  (segid "A   " and resid 25   and name N   ) (segid "A   " and resid 25   and name CA  )
         (segid "A   " and resid 25   and name C   ) (segid "A   " and resid 26   and name N   )  1.00 133.38 33.38 2

 ASSIGN  (segid "A   " and resid 26   and name C   ) (segid "A   " and resid 27   and name N   )
         (segid "A   " and resid 27   and name CA  ) (segid "A   " and resid 27   and name C   )  1.00 -95.33 34.67 2

 ASSIGN  (segid "A   " and resid 27   and name N   ) (segid "A   " and resid 27   and name CA  )
         (segid "A   " and resid 27   and name C   ) (segid "A   " and resid 28   and name N   )  1.00 -30.27 39.73 2

 ASSIGN  (segid "A   " and resid 27   and name C   ) (segid "A   " and resid 28   and name N   )
         (segid "A   " and resid 28   and name CA  ) (segid "A   " and resid 28   and name C   )  1.00 -143.36 26.64 2

 ASSIGN  (segid "A   " and resid 28   and name N   ) (segid "A   " and resid 28   and name CA  )
         (segid "A   " and resid 28   and name C   ) (segid "A   " and resid 29   and name N   )  1.00 155.63 35.63 2

 ASSIGN  (segid "A   " and resid 28   and name C   ) (segid "A   " and resid 29   and name N   )
         (segid "A   " and resid 29   and name CA  ) (segid "A   " and resid 29   and name C   )  1.00 -114.11 35.89 2

 ASSIGN  (segid "A   " and resid 29   and name N   ) (segid "A   " and resid 29   and name CA  )
         (segid "A   " and resid 29   and name C   ) (segid "A   " and resid 30   and name N   )  1.00 124.73 24.73 2

 ASSIGN  (segid "A   " and resid 29   and name C   ) (segid "A   " and resid 30   and name N   )
         (segid "A   " and resid 30   and name CA  ) (segid "A   " and resid 30   and name C   )  1.00 -85.00 25.00 2

 ASSIGN  (segid "A   " and resid 30   and name N   ) (segid "A   " and resid 30   and name CA  )
         (segid "A   " and resid 30   and name C   ) (segid "A   " and resid 31   and name N   )  1.00 166.14 26.14 2

 ASSIGN  (segid "A   " and resid 30   and name C   ) (segid "A   " and resid 31   and name N   )
         (segid "A   " and resid 31   and name CA  ) (segid "A   " and resid 31   and name C   )  1.00 -56.52 23.48 2

 ASSIGN  (segid "A   " and resid 31   and name N   ) (segid "A   " and resid 31   and name CA  )
         (segid "A   " and resid 31   and name C   ) (segid "A   " and resid 32   and name N   )  1.00 -45.10 24.90 2

 ASSIGN  (segid "A   " and resid 31   and name C   ) (segid "A   " and resid 32   and name N   )
         (segid "A   " and resid 32   and name CA  ) (segid "A   " and resid 32   and name C   )  1.00 -64.66 25.34 2

 ASSIGN  (segid "A   " and resid 32   and name N   ) (segid "A   " and resid 32   and name CA  )
         (segid "A   " and resid 32   and name C   ) (segid "A   " and resid 33   and name N   )  1.00 -42.55 17.45 2

 ASSIGN  (segid "A   " and resid 32   and name C   ) (segid "A   " and resid 33   and name N   )
         (segid "A   " and resid 33   and name CA  ) (segid "A   " and resid 33   and name C   )  1.00 -64.79 25.21 2

 ASSIGN  (segid "A   " and resid 33   and name N   ) (segid "A   " and resid 33   and name CA  )
         (segid "A   " and resid 33   and name C   ) (segid "A   " and resid 34   and name N   )  1.00 -43.99 26.01 2

 ASSIGN  (segid "A   " and resid 33   and name C   ) (segid "A   " and resid 34   and name N   )
         (segid "A   " and resid 34   and name CA  ) (segid "A   " and resid 34   and name C   )  1.00 -58.88 21.12 2

 ASSIGN  (segid "A   " and resid 34   and name N   ) (segid "A   " and resid 34   and name CA  )
         (segid "A   " and resid 34   and name C   ) (segid "A   " and resid 35   and name N   )  1.00 -44.76 25.24 2

 ASSIGN  (segid "A   " and resid 34   and name C   ) (segid "A   " and resid 35   and name N   )
         (segid "A   " and resid 35   and name CA  ) (segid "A   " and resid 35   and name C   )  1.00 -64.93 25.07 2

 ASSIGN  (segid "A   " and resid 35   and name N   ) (segid "A   " and resid 35   and name CA  )
         (segid "A   " and resid 35   and name C   ) (segid "A   " and resid 36   and name N   )  1.00 -44.02 25.98 2

 ASSIGN  (segid "A   " and resid 35   and name C   ) (segid "A   " and resid 36   and name N   )
         (segid "A   " and resid 36   and name CA  ) (segid "A   " and resid 36   and name C   )  1.00 -64.94 25.06 2

 ASSIGN  (segid "A   " and resid 36   and name N   ) (segid "A   " and resid 36   and name CA  )
         (segid "A   " and resid 36   and name C   ) (segid "A   " and resid 37   and name N   )  1.00 -44.71 25.29 2

 ASSIGN  (segid "A   " and resid 36   and name C   ) (segid "A   " and resid 37   and name N   )
         (segid "A   " and resid 37   and name CA  ) (segid "A   " and resid 37   and name C   )  1.00 -63.64 26.36 2

 ASSIGN  (segid "A   " and resid 37   and name N   ) (segid "A   " and resid 37   and name CA  )
         (segid "A   " and resid 37   and name C   ) (segid "A   " and resid 38   and name N   )  1.00 -40.79 29.21 2

 ASSIGN  (segid "A   " and resid 37   and name C   ) (segid "A   " and resid 38   and name N   )
         (segid "A   " and resid 38   and name CA  ) (segid "A   " and resid 38   and name C   )  1.00 -59.02 30.98 2

 ASSIGN  (segid "A   " and resid 38   and name N   ) (segid "A   " and resid 38   and name CA  )
         (segid "A   " and resid 38   and name C   ) (segid "A   " and resid 39   and name N   )  1.00 -42.85 27.15 2

 ASSIGN  (segid "A   " and resid 38   and name C   ) (segid "A   " and resid 39   and name N   )
         (segid "A   " and resid 39   and name CA  ) (segid "A   " and resid 39   and name C   )  1.00 -61.50 28.50 2

 ASSIGN  (segid "A   " and resid 39   and name N   ) (segid "A   " and resid 39   and name CA  )
         (segid "A   " and resid 39   and name C   ) (segid "A   " and resid 40   and name N   )  1.00 -35.90 34.10 2

 ASSIGN  (segid "A   " and resid 39   and name C   ) (segid "A   " and resid 40   and name N   )
         (segid "A   " and resid 40   and name CA  ) (segid "A   " and resid 40   and name C   )  1.00 -68.95 21.05 2

 ASSIGN  (segid "A   " and resid 40   and name N   ) (segid "A   " and resid 40   and name CA  )
         (segid "A   " and resid 40   and name C   ) (segid "A   " and resid 41   and name N   )  1.00 -38.57 31.43 2

 ASSIGN  (segid "A   " and resid 40   and name C   ) (segid "A   " and resid 41   and name N   )
         (segid "A   " and resid 41   and name CA  ) (segid "A   " and resid 41   and name C   )  1.00 -75.04 24.96 2

 ASSIGN  (segid "A   " and resid 41   and name N   ) (segid "A   " and resid 41   and name CA  )
         (segid "A   " and resid 41   and name C   ) (segid "A   " and resid 42   and name N   )  1.00 -35.02 24.98 2

 ASSIGN  (segid "A   " and resid 42   and name C   ) (segid "A   " and resid 43   and name N   )
         (segid "A   " and resid 43   and name CA  ) (segid "A   " and resid 43   and name C   )  1.00 -55.00 25.00 2

 ASSIGN  (segid "A   " and resid 43   and name N   ) (segid "A   " and resid 43   and name CA  )
         (segid "A   " and resid 43   and name C   ) (segid "A   " and resid 44   and name N   )  1.00 -34.99 15.01 2

 ASSIGN  (segid "A   " and resid 43   and name C   ) (segid "A   " and resid 44   and name N   )
         (segid "A   " and resid 44   and name CA  ) (segid "A   " and resid 44   and name C   )  1.00 -65.00 15.00 2

 ASSIGN  (segid "A   " and resid 44   and name N   ) (segid "A   " and resid 44   and name CA  )
         (segid "A   " and resid 44   and name C   ) (segid "A   " and resid 45   and name N   )  1.00 -24.98 25.02 2

 ASSIGN  (segid "A   " and resid 44   and name C   ) (segid "A   " and resid 45   and name N   )
         (segid "A   " and resid 45   and name CA  ) (segid "A   " and resid 45   and name C   )  1.00 -69.28 40.72 2

 ASSIGN  (segid "A   " and resid 45   and name N   ) (segid "A   " and resid 45   and name CA  )
         (segid "A   " and resid 45   and name C   ) (segid "A   " and resid 46   and name N   )  1.00 -24.91 35.09 2

 ASSIGN  (segid "A   " and resid 45   and name C   ) (segid "A   " and resid 46   and name N   )
         (segid "A   " and resid 46   and name CA  ) (segid "A   " and resid 46   and name C   )  1.00 -90.96 29.04 2

 ASSIGN  (segid "A   " and resid 46   and name N   ) (segid "A   " and resid 46   and name CA  )
         (segid "A   " and resid 46   and name C   ) (segid "A   " and resid 47   and name N   )  1.00  -5.60 34.40 2

 ASSIGN  (segid "A   " and resid 46   and name C   ) (segid "A   " and resid 47   and name N   )
         (segid "A   " and resid 47   and name CA  ) (segid "A   " and resid 47   and name C   )  1.00  85.76 25.76 2

 ASSIGN  (segid "A   " and resid 47   and name N   ) (segid "A   " and resid 47   and name CA  )
         (segid "A   " and resid 47   and name C   ) (segid "A   " and resid 48   and name N   )  1.00   7.76 37.76 2

 ASSIGN  (segid "A   " and resid 49   and name C   ) (segid "A   " and resid 50   and name N   )
         (segid "A   " and resid 50   and name CA  ) (segid "A   " and resid 50   and name C   )  1.00 -72.36 37.64 2

 ASSIGN  (segid "A   " and resid 50   and name N   ) (segid "A   " and resid 50   and name CA  )
         (segid "A   " and resid 50   and name C   ) (segid "A   " and resid 51   and name N   )  1.00 134.32 34.32 2

 ASSIGN  (segid "A   " and resid 50   and name C   ) (segid "A   " and resid 51   and name N   )
         (segid "A   " and resid 51   and name CA  ) (segid "A   " and resid 51   and name C   )  1.00 -84.83 25.17 2

 ASSIGN  (segid "A   " and resid 51   and name N   ) (segid "A   " and resid 51   and name CA  )
         (segid "A   " and resid 51   and name C   ) (segid "A   " and resid 52   and name N   )  1.00 164.11 44.11 2

 ASSIGN  (segid "A   " and resid 51   and name C   ) (segid "A   " and resid 52   and name N   )
         (segid "A   " and resid 52   and name CA  ) (segid "A   " and resid 52   and name C   )  1.00 -55.13 24.87 2

 ASSIGN  (segid "A   " and resid 52   and name N   ) (segid "A   " and resid 52   and name CA  )
         (segid "A   " and resid 52   and name C   ) (segid "A   " and resid 53   and name N   )  1.00 -36.56 33.44 2

 ASSIGN  (segid "A   " and resid 52   and name C   ) (segid "A   " and resid 53   and name N   )
         (segid "A   " and resid 53   and name CA  ) (segid "A   " and resid 53   and name C   )  1.00 -61.79 28.21 2

 ASSIGN  (segid "A   " and resid 53   and name N   ) (segid "A   " and resid 53   and name CA  )
         (segid "A   " and resid 53   and name C   ) (segid "A   " and resid 54   and name N   )  1.00 -41.92 28.08 2

 ASSIGN  (segid "A   " and resid 53   and name C   ) (segid "A   " and resid 54   and name N   )
         (segid "A   " and resid 54   and name CA  ) (segid "A   " and resid 54   and name C   )  1.00 -62.80 27.20 2

 ASSIGN  (segid "A   " and resid 54   and name N   ) (segid "A   " and resid 54   and name CA  )
         (segid "A   " and resid 54   and name C   ) (segid "A   " and resid 55   and name N   )  1.00 -42.55 27.45 2

 ASSIGN  (segid "A   " and resid 54   and name C   ) (segid "A   " and resid 55   and name N   )
         (segid "A   " and resid 55   and name CA  ) (segid "A   " and resid 55   and name C   )  1.00 -64.24 25.76 2

 ASSIGN  (segid "A   " and resid 55   and name N   ) (segid "A   " and resid 55   and name CA  )
         (segid "A   " and resid 55   and name C   ) (segid "A   " and resid 56   and name N   )  1.00 -44.05 25.95 2

 ASSIGN  (segid "A   " and resid 55   and name C   ) (segid "A   " and resid 56   and name N   )
         (segid "A   " and resid 56   and name CA  ) (segid "A   " and resid 56   and name C   )  1.00 -63.24 26.76 2

 ASSIGN  (segid "A   " and resid 56   and name N   ) (segid "A   " and resid 56   and name CA  )
         (segid "A   " and resid 56   and name C   ) (segid "A   " and resid 57   and name N   )  1.00 -44.93 25.07 2

 ASSIGN  (segid "A   " and resid 56   and name C   ) (segid "A   " and resid 57   and name N   )
         (segid "A   " and resid 57   and name CA  ) (segid "A   " and resid 57   and name C   )  1.00 -60.19 29.81 2

 ASSIGN  (segid "A   " and resid 57   and name N   ) (segid "A   " and resid 57   and name CA  )
         (segid "A   " and resid 57   and name C   ) (segid "A   " and resid 58   and name N   )  1.00 -44.26 25.74 2

 ASSIGN  (segid "A   " and resid 57   and name C   ) (segid "A   " and resid 58   and name N   )
         (segid "A   " and resid 58   and name CA  ) (segid "A   " and resid 58   and name C   )  1.00 -57.21 22.79 2

 ASSIGN  (segid "A   " and resid 58   and name N   ) (segid "A   " and resid 58   and name CA  )
         (segid "A   " and resid 58   and name C   ) (segid "A   " and resid 59   and name N   )  1.00 -44.73 25.27 2

 ASSIGN  (segid "A   " and resid 58   and name C   ) (segid "A   " and resid 59   and name N   )
         (segid "A   " and resid 59   and name CA  ) (segid "A   " and resid 59   and name C   )  1.00 -63.34 26.66 2

 ASSIGN  (segid "A   " and resid 59   and name N   ) (segid "A   " and resid 59   and name CA  )
         (segid "A   " and resid 59   and name C   ) (segid "A   " and resid 60   and name N   )  1.00 -43.27 26.73 2

 ASSIGN  (segid "A   " and resid 59   and name C   ) (segid "A   " and resid 60   and name N   )
         (segid "A   " and resid 60   and name CA  ) (segid "A   " and resid 60   and name C   )  1.00 -64.45 25.55 2

 ASSIGN  (segid "A   " and resid 60   and name N   ) (segid "A   " and resid 60   and name CA  )
         (segid "A   " and resid 60   and name C   ) (segid "A   " and resid 61   and name N   )  1.00 -44.05 25.95 2

 ASSIGN  (segid "A   " and resid 60   and name C   ) (segid "A   " and resid 61   and name N   )
         (segid "A   " and resid 61   and name CA  ) (segid "A   " and resid 61   and name C   )  1.00 -64.90 25.10 2

 ASSIGN  (segid "A   " and resid 61   and name N   ) (segid "A   " and resid 61   and name CA  )
         (segid "A   " and resid 61   and name C   ) (segid "A   " and resid 62   and name N   )  1.00 -36.92 23.08 2

 ASSIGN  (segid "A   " and resid 61   and name C   ) (segid "A   " and resid 62   and name N   )
         (segid "A   " and resid 62   and name CA  ) (segid "A   " and resid 62   and name C   )  1.00 -75.01 24.99 2

 ASSIGN  (segid "A   " and resid 62   and name N   ) (segid "A   " and resid 62   and name CA  )
         (segid "A   " and resid 62   and name C   ) (segid "A   " and resid 63   and name N   )  1.00 -41.45 28.55 2

 ASSIGN  (segid "A   " and resid 63   and name C   ) (segid "A   " and resid 64   and name N   )
         (segid "A   " and resid 64   and name CA  ) (segid "A   " and resid 64   and name C   )  1.00 -56.54 33.46 2

 ASSIGN  (segid "A   " and resid 64   and name N   ) (segid "A   " and resid 64   and name CA  )
         (segid "A   " and resid 64   and name C   ) (segid "A   " and resid 65   and name N   )  1.00 -34.00 26.00 2

 ASSIGN  (segid "A   " and resid 64   and name C   ) (segid "A   " and resid 65   and name N   )
         (segid "A   " and resid 65   and name CA  ) (segid "A   " and resid 65   and name C   )  1.00 -85.21 24.79 2

 ASSIGN  (segid "A   " and resid 65   and name N   ) (segid "A   " and resid 65   and name CA  )
         (segid "A   " and resid 65   and name C   ) (segid "A   " and resid 66   and name N   )  1.00   5.14 25.14 2

 ASSIGN  (segid "A   " and resid 65   and name C   ) (segid "A   " and resid 66   and name N   )
         (segid "A   " and resid 66   and name CA  ) (segid "A   " and resid 66   and name C   )  1.00  59.00 29.00 2

 ASSIGN  (segid "A   " and resid 66   and name N   ) (segid "A   " and resid 66   and name CA  )
         (segid "A   " and resid 66   and name C   ) (segid "A   " and resid 67   and name N   )  1.00  34.74 44.74 2

 ASSIGN  (segid "A   " and resid 66   and name C   ) (segid "A   " and resid 67   and name N   )
         (segid "A   " and resid 67   and name CA  ) (segid "A   " and resid 67   and name C   )  1.00 -96.28 33.72 2

 ASSIGN  (segid "A   " and resid 67   and name N   ) (segid "A   " and resid 67   and name CA  )
         (segid "A   " and resid 67   and name C   ) (segid "A   " and resid 68   and name N   )  1.00   1.60 41.60 2

 ASSIGN  (segid "A   " and resid 68   and name C   ) (segid "A   " and resid 69   and name N   )
         (segid "A   " and resid 69   and name CA  ) (segid "A   " and resid 69   and name C   )  1.00 -125.93 44.07 2

 ASSIGN  (segid "A   " and resid 69   and name N   ) (segid "A   " and resid 69   and name CA  )
         (segid "A   " and resid 69   and name C   ) (segid "A   " and resid 70   and name N   )  1.00 153.75 53.75 2

 ASSIGN  (segid "A   " and resid 69   and name C   ) (segid "A   " and resid 70   and name N   )
         (segid "A   " and resid 70   and name CA  ) (segid "A   " and resid 70   and name C   )  1.00 -105.01 34.99 2

 ASSIGN  (segid "A   " and resid 70   and name N   ) (segid "A   " and resid 70   and name CA  )
         (segid "A   " and resid 70   and name C   ) (segid "A   " and resid 71   and name N   )  1.00 123.25 23.25 2

 ASSIGN  (segid "A   " and resid 70   and name C   ) (segid "A   " and resid 71   and name N   )
         (segid "A   " and resid 71   and name CA  ) (segid "A   " and resid 71   and name C   )  1.00 -85.01 24.99 2

 ASSIGN  (segid "A   " and resid 71   and name N   ) (segid "A   " and resid 71   and name CA  )
         (segid "A   " and resid 71   and name C   ) (segid "A   " and resid 72   and name N   )  1.00 165.13 15.13 2

 ASSIGN  (segid "A   " and resid 71   and name C   ) (segid "A   " and resid 72   and name N   )
         (segid "A   " and resid 72   and name CA  ) (segid "A   " and resid 72   and name C   )  1.00 -61.72 18.28 2

 ASSIGN  (segid "A   " and resid 72   and name N   ) (segid "A   " and resid 72   and name CA  )
         (segid "A   " and resid 72   and name C   ) (segid "A   " and resid 73   and name N   )  1.00 -39.25 30.75 2

 ASSIGN  (segid "A   " and resid 72   and name C   ) (segid "A   " and resid 73   and name N   )
         (segid "A   " and resid 73   and name CA  ) (segid "A   " and resid 73   and name C   )  1.00 -63.32 16.68 2

 ASSIGN  (segid "A   " and resid 73   and name N   ) (segid "A   " and resid 73   and name CA  )
         (segid "A   " and resid 73   and name C   ) (segid "A   " and resid 74   and name N   )  1.00 -44.99 25.01 2

 ASSIGN  (segid "A   " and resid 73   and name C   ) (segid "A   " and resid 74   and name N   )
         (segid "A   " and resid 74   and name CA  ) (segid "A   " and resid 74   and name C   )  1.00 -64.58 25.42 2

 ASSIGN  (segid "A   " and resid 74   and name N   ) (segid "A   " and resid 74   and name CA  )
         (segid "A   " and resid 74   and name C   ) (segid "A   " and resid 75   and name N   )  1.00 -39.29 30.71 2

 ASSIGN  (segid "A   " and resid 74   and name C   ) (segid "A   " and resid 75   and name N   )
         (segid "A   " and resid 75   and name CA  ) (segid "A   " and resid 75   and name C   )  1.00 -64.10 25.90 2

 ASSIGN  (segid "A   " and resid 75   and name N   ) (segid "A   " and resid 75   and name CA  )
         (segid "A   " and resid 75   and name C   ) (segid "A   " and resid 76   and name N   )  1.00 -44.78 25.22 2

 ASSIGN  (segid "A   " and resid 75   and name C   ) (segid "A   " and resid 76   and name N   )
         (segid "A   " and resid 76   and name CA  ) (segid "A   " and resid 76   and name C   )  1.00 -64.47 25.53 2

 ASSIGN  (segid "A   " and resid 76   and name N   ) (segid "A   " and resid 76   and name CA  )
         (segid "A   " and resid 76   and name C   ) (segid "A   " and resid 77   and name N   )  1.00 -43.37 26.63 2

 ASSIGN  (segid "A   " and resid 76   and name C   ) (segid "A   " and resid 77   and name N   )
         (segid "A   " and resid 77   and name CA  ) (segid "A   " and resid 77   and name C   )  1.00 -64.04 25.96 2

 ASSIGN  (segid "A   " and resid 77   and name N   ) (segid "A   " and resid 77   and name CA  )
         (segid "A   " and resid 77   and name C   ) (segid "A   " and resid 78   and name N   )  1.00 -43.43 26.57 2

 ASSIGN  (segid "A   " and resid 77   and name C   ) (segid "A   " and resid 78   and name N   )
         (segid "A   " and resid 78   and name CA  ) (segid "A   " and resid 78   and name C   )  1.00 -64.89 25.11 2

 ASSIGN  (segid "A   " and resid 78   and name N   ) (segid "A   " and resid 78   and name CA  )
         (segid "A   " and resid 78   and name C   ) (segid "A   " and resid 79   and name N   )  1.00 -43.53 26.47 2

 ASSIGN  (segid "A   " and resid 78   and name C   ) (segid "A   " and resid 79   and name N   )
         (segid "A   " and resid 79   and name CA  ) (segid "A   " and resid 79   and name C   )  1.00 -64.24 25.76 2

 ASSIGN  (segid "A   " and resid 79   and name N   ) (segid "A   " and resid 79   and name CA  )
         (segid "A   " and resid 79   and name C   ) (segid "A   " and resid 80   and name N   )  1.00 -37.71 22.29 2

 ASSIGN  (segid "A   " and resid 79   and name C   ) (segid "A   " and resid 80   and name N   )
         (segid "A   " and resid 80   and name CA  ) (segid "A   " and resid 80   and name C   )  1.00 -64.89 15.11 2

 ASSIGN  (segid "A   " and resid 80   and name N   ) (segid "A   " and resid 80   and name CA  )
         (segid "A   " and resid 80   and name C   ) (segid "A   " and resid 81   and name N   )  1.00 -44.71 15.29 2

 ASSIGN  (segid "A   " and resid 80   and name C   ) (segid "A   " and resid 81   and name N   )
         (segid "A   " and resid 81   and name CA  ) (segid "A   " and resid 81   and name C   )  1.00 -64.76 15.24 2

 ASSIGN  (segid "A   " and resid 81   and name N   ) (segid "A   " and resid 81   and name CA  )
         (segid "A   " and resid 81   and name C   ) (segid "A   " and resid 82   and name N   )  1.00 -44.31 25.69 2

 ASSIGN  (segid "A   " and resid 81   and name C   ) (segid "A   " and resid 82   and name N   )
         (segid "A   " and resid 82   and name CA  ) (segid "A   " and resid 82   and name C   )  1.00 -64.88 25.12 2

 ASSIGN  (segid "A   " and resid 82   and name N   ) (segid "A   " and resid 82   and name CA  )
         (segid "A   " and resid 82   and name C   ) (segid "A   " and resid 83   and name N   )  1.00 -44.78 25.22 2

 ASSIGN  (segid "A   " and resid 82   and name C   ) (segid "A   " and resid 83   and name N   )
         (segid "A   " and resid 83   and name CA  ) (segid "A   " and resid 83   and name C   )  1.00 -56.09 23.91 2

 ASSIGN  (segid "A   " and resid 83   and name N   ) (segid "A   " and resid 83   and name CA  )
         (segid "A   " and resid 83   and name C   ) (segid "A   " and resid 84   and name N   )  1.00 -44.92 25.08 2

 ASSIGN  (segid "A   " and resid 83   and name C   ) (segid "A   " and resid 84   and name N   )
         (segid "A   " and resid 84   and name CA  ) (segid "A   " and resid 84   and name C   )  1.00 -60.16 19.84 2

 ASSIGN  (segid "A   " and resid 84   and name N   ) (segid "A   " and resid 84   and name CA  )
         (segid "A   " and resid 84   and name C   ) (segid "A   " and resid 85   and name N   )  1.00 -44.91 25.09 2

 ASSIGN  (segid "A   " and resid 84   and name C   ) (segid "A   " and resid 85   and name N   )
         (segid "A   " and resid 85   and name CA  ) (segid "A   " and resid 85   and name C   )  1.00 -60.23 29.77 2

 ASSIGN  (segid "A   " and resid 85   and name N   ) (segid "A   " and resid 85   and name CA  )
         (segid "A   " and resid 85   and name C   ) (segid "A   " and resid 86   and name N   )  1.00 -42.43 27.57 2

 ASSIGN  (segid "A   " and resid 85   and name C   ) (segid "A   " and resid 86   and name N   )
         (segid "A   " and resid 86   and name CA  ) (segid "A   " and resid 86   and name C   )  1.00 -63.00 27.00 2

 ASSIGN  (segid "A   " and resid 86   and name N   ) (segid "A   " and resid 86   and name CA  )
         (segid "A   " and resid 86   and name C   ) (segid "A   " and resid 87   and name N   )  1.00 -43.84 26.16 2

 ASSIGN  (segid "A   " and resid 86   and name C   ) (segid "A   " and resid 87   and name N   )
         (segid "A   " and resid 87   and name CA  ) (segid "A   " and resid 87   and name C   )  1.00 -64.55 25.45 2

 ASSIGN  (segid "A   " and resid 87   and name N   ) (segid "A   " and resid 87   and name CA  )
         (segid "A   " and resid 87   and name C   ) (segid "A   " and resid 88   and name N   )  1.00 -44.67 25.33 2

 ASSIGN  (segid "A   " and resid 87   and name C   ) (segid "A   " and resid 88   and name N   )
         (segid "A   " and resid 88   and name CA  ) (segid "A   " and resid 88   and name C   )  1.00 -64.23 25.77 2

 ASSIGN  (segid "A   " and resid 88   and name N   ) (segid "A   " and resid 88   and name CA  )
         (segid "A   " and resid 88   and name C   ) (segid "A   " and resid 89   and name N   )  1.00 -44.21 25.79 2

 ASSIGN  (segid "A   " and resid 88   and name C   ) (segid "A   " and resid 89   and name N   )
         (segid "A   " and resid 89   and name CA  ) (segid "A   " and resid 89   and name C   )  1.00 -57.74 32.26 2

 ASSIGN  (segid "A   " and resid 89   and name N   ) (segid "A   " and resid 89   and name CA  )
         (segid "A   " and resid 89   and name C   ) (segid "A   " and resid 90   and name N   )  1.00 -33.61 36.39 2

 ASSIGN  (segid "A   " and resid 89   and name C   ) (segid "A   " and resid 90   and name N   )
         (segid "A   " and resid 90   and name CA  ) (segid "A   " and resid 90   and name C   )  1.00 -64.95 25.05 2

 ASSIGN  (segid "A   " and resid 90   and name N   ) (segid "A   " and resid 90   and name CA  )
         (segid "A   " and resid 90   and name C   ) (segid "A   " and resid 91   and name N   )  1.00 -35.83 34.17 2

 ASSIGN  (segid "A   " and resid 91   and name C   ) (segid "A   " and resid 92   and name N   )
         (segid "A   " and resid 92   and name CA  ) (segid "A   " and resid 92   and name C   )  1.00  88.54 38.54 2

 ASSIGN  (segid "A   " and resid 92   and name N   ) (segid "A   " and resid 92   and name CA  )
         (segid "A   " and resid 92   and name C   ) (segid "A   " and resid 93   and name N   )  1.00   5.57 35.57 2

 ASSIGN  (segid "B   " and resid 1    and name C   ) (segid "B   " and resid 2    and name N   )
         (segid "B   " and resid 2    and name CA  ) (segid "B   " and resid 2    and name C   )  1.00 -65.20 34.80 2

 ASSIGN  (segid "B   " and resid 2    and name N   ) (segid "B   " and resid 2    and name CA  )
         (segid "B   " and resid 2    and name C   ) (segid "B   " and resid 3    and name N   )  1.00 145.06 25.06 2

 ASSIGN  (segid "B   " and resid 3    and name C   ) (segid "B   " and resid 4    and name N   )
         (segid "B   " and resid 4    and name CA  ) (segid "B   " and resid 4    and name C   )  1.00 -55.34 24.66 2

 ASSIGN  (segid "B   " and resid 4    and name N   ) (segid "B   " and resid 4    and name CA  )
         (segid "B   " and resid 4    and name C   ) (segid "B   " and resid 5    and name N   )  1.00 -35.00 25.00 2

 ASSIGN  (segid "B   " and resid 4    and name C   ) (segid "B   " and resid 5    and name N   )
         (segid "B   " and resid 5    and name CA  ) (segid "B   " and resid 5    and name C   )  1.00 -62.88 17.12 2

 ASSIGN  (segid "B   " and resid 5    and name N   ) (segid "B   " and resid 5    and name CA  )
         (segid "B   " and resid 5    and name C   ) (segid "B   " and resid 6    and name N   )  1.00 -44.54 25.46 2

 ASSIGN  (segid "B   " and resid 5    and name C   ) (segid "B   " and resid 6    and name N   )
         (segid "B   " and resid 6    and name CA  ) (segid "B   " and resid 6    and name C   )  1.00 -60.34 29.66 2

 ASSIGN  (segid "B   " and resid 6    and name N   ) (segid "B   " and resid 6    and name CA  )
         (segid "B   " and resid 6    and name C   ) (segid "B   " and resid 7    and name N   )  1.00 -44.30 25.70 2

 ASSIGN  (segid "B   " and resid 6    and name C   ) (segid "B   " and resid 7    and name N   )
         (segid "B   " and resid 7    and name CA  ) (segid "B   " and resid 7    and name C   )  1.00 -63.92 26.08 2

 ASSIGN  (segid "B   " and resid 7    and name N   ) (segid "B   " and resid 7    and name CA  )
         (segid "B   " and resid 7    and name C   ) (segid "B   " and resid 8    and name N   )  1.00 -42.68 27.32 2

 ASSIGN  (segid "B   " and resid 7    and name C   ) (segid "B   " and resid 8    and name N   )
         (segid "B   " and resid 8    and name CA  ) (segid "B   " and resid 8    and name C   )  1.00 -64.74 25.26 2

 ASSIGN  (segid "B   " and resid 8    and name N   ) (segid "B   " and resid 8    and name CA  )
         (segid "B   " and resid 8    and name C   ) (segid "B   " and resid 9    and name N   )  1.00 -44.17 25.83 2

 ASSIGN  (segid "B   " and resid 8    and name C   ) (segid "B   " and resid 9    and name N   )
         (segid "B   " and resid 9    and name CA  ) (segid "B   " and resid 9    and name C   )  1.00 -64.88 15.12 2

 ASSIGN  (segid "B   " and resid 9    and name N   ) (segid "B   " and resid 9    and name CA  )
         (segid "B   " and resid 9    and name C   ) (segid "B   " and resid 10   and name N   )  1.00 -44.65 15.35 2

 ASSIGN  (segid "B   " and resid 9    and name C   ) (segid "B   " and resid 10   and name N   )
         (segid "B   " and resid 10   and name CA  ) (segid "B   " and resid 10   and name C   )  1.00 -58.86 31.14 2

 ASSIGN  (segid "B   " and resid 10   and name N   ) (segid "B   " and resid 10   and name CA  )
         (segid "B   " and resid 10   and name C   ) (segid "B   " and resid 11   and name N   )  1.00 -44.94 25.06 2

 ASSIGN  (segid "B   " and resid 10   and name C   ) (segid "B   " and resid 11   and name N   )
         (segid "B   " and resid 11   and name CA  ) (segid "B   " and resid 11   and name C   )  1.00 -64.96 25.04 2

 ASSIGN  (segid "B   " and resid 11   and name N   ) (segid "B   " and resid 11   and name CA  )
         (segid "B   " and resid 11   and name C   ) (segid "B   " and resid 12   and name N   )  1.00 -43.88 26.12 2

 ASSIGN  (segid "B   " and resid 11   and name C   ) (segid "B   " and resid 12   and name N   )
         (segid "B   " and resid 12   and name CA  ) (segid "B   " and resid 12   and name C   )  1.00 -64.90 15.10 2

 ASSIGN  (segid "B   " and resid 12   and name N   ) (segid "B   " and resid 12   and name CA  )
         (segid "B   " and resid 12   and name C   ) (segid "B   " and resid 13   and name N   )  1.00 -42.24 17.76 2

 ASSIGN  (segid "B   " and resid 12   and name C   ) (segid "B   " and resid 13   and name N   )
         (segid "B   " and resid 13   and name CA  ) (segid "B   " and resid 13   and name C   )  1.00 -64.99 25.01 2

 ASSIGN  (segid "B   " and resid 13   and name N   ) (segid "B   " and resid 13   and name CA  )
         (segid "B   " and resid 13   and name C   ) (segid "B   " and resid 14   and name N   )  1.00 -44.90 25.10 2

 ASSIGN  (segid "B   " and resid 13   and name C   ) (segid "B   " and resid 14   and name N   )
         (segid "B   " and resid 14   and name CA  ) (segid "B   " and resid 14   and name C   )  1.00 -64.81 15.19 2

 ASSIGN  (segid "B   " and resid 14   and name N   ) (segid "B   " and resid 14   and name CA  )
         (segid "B   " and resid 14   and name C   ) (segid "B   " and resid 15   and name N   )  1.00 -35.91 24.09 2

 ASSIGN  (segid "B   " and resid 14   and name C   ) (segid "B   " and resid 15   and name N   )
         (segid "B   " and resid 15   and name CA  ) (segid "B   " and resid 15   and name C   )  1.00 -64.86 25.14 2

 ASSIGN  (segid "B   " and resid 15   and name N   ) (segid "B   " and resid 15   and name CA  )
         (segid "B   " and resid 15   and name C   ) (segid "B   " and resid 16   and name N   )  1.00 -44.87 25.13 2

 ASSIGN  (segid "B   " and resid 15   and name C   ) (segid "B   " and resid 16   and name N   )
         (segid "B   " and resid 16   and name CA  ) (segid "B   " and resid 16   and name C   )  1.00 -62.08 27.92 2

 ASSIGN  (segid "B   " and resid 16   and name N   ) (segid "B   " and resid 16   and name CA  )
         (segid "B   " and resid 16   and name C   ) (segid "B   " and resid 17   and name N   )  1.00 -44.73 25.27 2

 ASSIGN  (segid "B   " and resid 16   and name C   ) (segid "B   " and resid 17   and name N   )
         (segid "B   " and resid 17   and name CA  ) (segid "B   " and resid 17   and name C   )  1.00 -64.45 25.55 2

 ASSIGN  (segid "B   " and resid 17   and name N   ) (segid "B   " and resid 17   and name CA  )
         (segid "B   " and resid 17   and name C   ) (segid "B   " and resid 18   and name N   )  1.00 -42.28 27.72 2

 ASSIGN  (segid "B   " and resid 17   and name C   ) (segid "B   " and resid 18   and name N   )
         (segid "B   " and resid 18   and name CA  ) (segid "B   " and resid 18   and name C   )  1.00 -65.29 24.71 2

 ASSIGN  (segid "B   " and resid 18   and name N   ) (segid "B   " and resid 18   and name CA  )
         (segid "B   " and resid 18   and name C   ) (segid "B   " and resid 19   and name N   )  1.00 -38.36 21.64 2

 ASSIGN  (segid "B   " and resid 18   and name C   ) (segid "B   " and resid 19   and name N   )
         (segid "B   " and resid 19   and name CA  ) (segid "B   " and resid 19   and name C   )  1.00 -79.96 40.04 2

 ASSIGN  (segid "B   " and resid 19   and name N   ) (segid "B   " and resid 19   and name CA  )
         (segid "B   " and resid 19   and name C   ) (segid "B   " and resid 20   and name N   )  1.00 -27.64 42.36 2

 ASSIGN  (segid "B   " and resid 19   and name C   ) (segid "B   " and resid 20   and name N   )
         (segid "B   " and resid 20   and name CA  ) (segid "B   " and resid 20   and name C   )  1.00 -56.67 33.33 2

 ASSIGN  (segid "B   " and resid 20   and name N   ) (segid "B   " and resid 20   and name CA  )
         (segid "B   " and resid 20   and name C   ) (segid "B   " and resid 21   and name N   )  1.00 -37.24 32.76 2

 ASSIGN  (segid "B   " and resid 24   and name C   ) (segid "B   " and resid 25   and name N   )
         (segid "B   " and resid 25   and name CA  ) (segid "B   " and resid 25   and name C   )  1.00 -64.77 35.23 2

 ASSIGN  (segid "B   " and resid 25   and name N   ) (segid "B   " and resid 25   and name CA  )
         (segid "B   " and resid 25   and name C   ) (segid "B   " and resid 26   and name N   )  1.00 133.38 33.38 2

 ASSIGN  (segid "B   " and resid 26   and name C   ) (segid "B   " and resid 27   and name N   )
         (segid "B   " and resid 27   and name CA  ) (segid "B   " and resid 27   and name C   )  1.00 -95.33 34.67 2

 ASSIGN  (segid "B   " and resid 27   and name N   ) (segid "B   " and resid 27   and name CA  )
         (segid "B   " and resid 27   and name C   ) (segid "B   " and resid 28   and name N   )  1.00 -30.27 39.73 2

 ASSIGN  (segid "B   " and resid 27   and name C   ) (segid "B   " and resid 28   and name N   )
         (segid "B   " and resid 28   and name CA  ) (segid "B   " and resid 28   and name C   )  1.00 -143.36 26.64 2

 ASSIGN  (segid "B   " and resid 28   and name N   ) (segid "B   " and resid 28   and name CA  )
         (segid "B   " and resid 28   and name C   ) (segid "B   " and resid 29   and name N   )  1.00 155.63 35.63 2

 ASSIGN  (segid "B   " and resid 28   and name C   ) (segid "B   " and resid 29   and name N   )
         (segid "B   " and resid 29   and name CA  ) (segid "B   " and resid 29   and name C   )  1.00 -114.11 35.89 2

 ASSIGN  (segid "B   " and resid 29   and name N   ) (segid "B   " and resid 29   and name CA  )
         (segid "B   " and resid 29   and name C   ) (segid "B   " and resid 30   and name N   )  1.00 124.73 24.73 2

 ASSIGN  (segid "B   " and resid 29   and name C   ) (segid "B   " and resid 30   and name N   )
         (segid "B   " and resid 30   and name CA  ) (segid "B   " and resid 30   and name C   )  1.00 -85.00 25.00 2

 ASSIGN  (segid "B   " and resid 30   and name N   ) (segid "B   " and resid 30   and name CA  )
         (segid "B   " and resid 30   and name C   ) (segid "B   " and resid 31   and name N   )  1.00 166.14 26.14 2

 ASSIGN  (segid "B   " and resid 30   and name C   ) (segid "B   " and resid 31   and name N   )
         (segid "B   " and resid 31   and name CA  ) (segid "B   " and resid 31   and name C   )  1.00 -57.22 22.78 2

 ASSIGN  (segid "B   " and resid 31   and name N   ) (segid "B   " and resid 31   and name CA  )
         (segid "B   " and resid 31   and name C   ) (segid "B   " and resid 32   and name N   )  1.00 -44.95 25.05 2

 ASSIGN  (segid "B   " and resid 31   and name C   ) (segid "B   " and resid 32   and name N   )
         (segid "B   " and resid 32   and name CA  ) (segid "B   " and resid 32   and name C   )  1.00 -64.89 25.11 2

 ASSIGN  (segid "B   " and resid 32   and name N   ) (segid "B   " and resid 32   and name CA  )
         (segid "B   " and resid 32   and name C   ) (segid "B   " and resid 33   and name N   )  1.00 -39.50 20.50 2

 ASSIGN  (segid "B   " and resid 32   and name C   ) (segid "B   " and resid 33   and name N   )
         (segid "B   " and resid 33   and name CA  ) (segid "B   " and resid 33   and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (segid "B   " and resid 33   and name N   ) (segid "B   " and resid 33   and name CA  )
         (segid "B   " and resid 33   and name C   ) (segid "B   " and resid 34   and name N   )  1.00 -44.37 25.63 2

 ASSIGN  (segid "B   " and resid 33   and name C   ) (segid "B   " and resid 34   and name N   )
         (segid "B   " and resid 34   and name CA  ) (segid "B   " and resid 34   and name C   )  1.00 -59.19 30.81 2

 ASSIGN  (segid "B   " and resid 34   and name N   ) (segid "B   " and resid 34   and name CA  )
         (segid "B   " and resid 34   and name C   ) (segid "B   " and resid 35   and name N   )  1.00 -44.67 25.33 2

 ASSIGN  (segid "B   " and resid 34   and name C   ) (segid "B   " and resid 35   and name N   )
         (segid "B   " and resid 35   and name CA  ) (segid "B   " and resid 35   and name C   )  1.00 -64.92 25.08 2

 ASSIGN  (segid "B   " and resid 35   and name N   ) (segid "B   " and resid 35   and name CA  )
         (segid "B   " and resid 35   and name C   ) (segid "B   " and resid 36   and name N   )  1.00 -43.77 26.23 2

 ASSIGN  (segid "B   " and resid 35   and name C   ) (segid "B   " and resid 36   and name N   )
         (segid "B   " and resid 36   and name CA  ) (segid "B   " and resid 36   and name C   )  1.00 -64.98 25.02 2

 ASSIGN  (segid "B   " and resid 36   and name N   ) (segid "B   " and resid 36   and name CA  )
         (segid "B   " and resid 36   and name C   ) (segid "B   " and resid 37   and name N   )  1.00 -44.89 25.11 2

 ASSIGN  (segid "B   " and resid 36   and name C   ) (segid "B   " and resid 37   and name N   )
         (segid "B   " and resid 37   and name CA  ) (segid "B   " and resid 37   and name C   )  1.00 -63.11 26.89 2

 ASSIGN  (segid "B   " and resid 37   and name N   ) (segid "B   " and resid 37   and name CA  )
         (segid "B   " and resid 37   and name C   ) (segid "B   " and resid 38   and name N   )  1.00 -43.77 26.23 2

 ASSIGN  (segid "B   " and resid 37   and name C   ) (segid "B   " and resid 38   and name N   )
         (segid "B   " and resid 38   and name CA  ) (segid "B   " and resid 38   and name C   )  1.00 -57.79 22.21 2

 ASSIGN  (segid "B   " and resid 38   and name N   ) (segid "B   " and resid 38   and name CA  )
         (segid "B   " and resid 38   and name C   ) (segid "B   " and resid 39   and name N   )  1.00 -42.95 27.05 2

 ASSIGN  (segid "B   " and resid 38   and name C   ) (segid "B   " and resid 39   and name N   )
         (segid "B   " and resid 39   and name CA  ) (segid "B   " and resid 39   and name C   )  1.00 -60.99 29.01 2

 ASSIGN  (segid "B   " and resid 39   and name N   ) (segid "B   " and resid 39   and name CA  )
         (segid "B   " and resid 39   and name C   ) (segid "B   " and resid 40   and name N   )  1.00 -37.56 32.44 2

 ASSIGN  (segid "B   " and resid 39   and name C   ) (segid "B   " and resid 40   and name N   )
         (segid "B   " and resid 40   and name CA  ) (segid "B   " and resid 40   and name C   )  1.00 -67.28 22.72 2

 ASSIGN  (segid "B   " and resid 40   and name N   ) (segid "B   " and resid 40   and name CA  )
         (segid "B   " and resid 40   and name C   ) (segid "B   " and resid 41   and name N   )  1.00 -38.32 31.68 2

 ASSIGN  (segid "B   " and resid 40   and name C   ) (segid "B   " and resid 41   and name N   )
         (segid "B   " and resid 41   and name CA  ) (segid "B   " and resid 41   and name C   )  1.00 -75.12 24.88 2

 ASSIGN  (segid "B   " and resid 41   and name N   ) (segid "B   " and resid 41   and name CA  )
         (segid "B   " and resid 41   and name C   ) (segid "B   " and resid 42   and name N   )  1.00 -34.99 25.01 2

 ASSIGN  (segid "B   " and resid 42   and name C   ) (segid "B   " and resid 43   and name N   )
         (segid "B   " and resid 43   and name CA  ) (segid "B   " and resid 43   and name C   )  1.00 -55.00 25.00 2

 ASSIGN  (segid "B   " and resid 43   and name N   ) (segid "B   " and resid 43   and name CA  )
         (segid "B   " and resid 43   and name C   ) (segid "B   " and resid 44   and name N   )  1.00 -34.87 15.13 2

 ASSIGN  (segid "B   " and resid 43   and name C   ) (segid "B   " and resid 44   and name N   )
         (segid "B   " and resid 44   and name CA  ) (segid "B   " and resid 44   and name C   )  1.00 -65.00 25.00 2

 ASSIGN  (segid "B   " and resid 44   and name N   ) (segid "B   " and resid 44   and name CA  )
         (segid "B   " and resid 44   and name C   ) (segid "B   " and resid 45   and name N   )  1.00 -24.94 25.06 2

 ASSIGN  (segid "B   " and resid 44   and name C   ) (segid "B   " and resid 45   and name N   )
         (segid "B   " and resid 45   and name CA  ) (segid "B   " and resid 45   and name C   )  1.00 -85.14 24.86 2

 ASSIGN  (segid "B   " and resid 45   and name N   ) (segid "B   " and resid 45   and name CA  )
         (segid "B   " and resid 45   and name C   ) (segid "B   " and resid 46   and name N   )  1.00 -10.61 39.39 2

 ASSIGN  (segid "B   " and resid 46   and name C   ) (segid "B   " and resid 47   and name N   )
         (segid "B   " and resid 47   and name CA  ) (segid "B   " and resid 47   and name C   )  1.00  92.48 42.48 2

 ASSIGN  (segid "B   " and resid 47   and name N   ) (segid "B   " and resid 47   and name CA  )
         (segid "B   " and resid 47   and name C   ) (segid "B   " and resid 48   and name N   )  1.00  -2.38 27.62 2

 ASSIGN  (segid "B   " and resid 49   and name C   ) (segid "B   " and resid 50   and name N   )
         (segid "B   " and resid 50   and name CA  ) (segid "B   " and resid 50   and name C   )  1.00 -75.05 24.95 2

 ASSIGN  (segid "B   " and resid 50   and name N   ) (segid "B   " and resid 50   and name CA  )
         (segid "B   " and resid 50   and name C   ) (segid "B   " and resid 51   and name N   )  1.00 134.99 34.99 2

 ASSIGN  (segid "B   " and resid 51   and name C   ) (segid "B   " and resid 52   and name N   )
         (segid "B   " and resid 52   and name CA  ) (segid "B   " and resid 52   and name C   )  1.00 -58.90 31.10 2

 ASSIGN  (segid "B   " and resid 52   and name N   ) (segid "B   " and resid 52   and name CA  )
         (segid "B   " and resid 52   and name C   ) (segid "B   " and resid 53   and name N   )  1.00 -42.85 27.15 2

 ASSIGN  (segid "B   " and resid 52   and name C   ) (segid "B   " and resid 53   and name N   )
         (segid "B   " and resid 53   and name CA  ) (segid "B   " and resid 53   and name C   )  1.00 -64.38 25.62 2

 ASSIGN  (segid "B   " and resid 53   and name N   ) (segid "B   " and resid 53   and name CA  )
         (segid "B   " and resid 53   and name C   ) (segid "B   " and resid 54   and name N   )  1.00 -38.22 31.78 2

 ASSIGN  (segid "B   " and resid 53   and name C   ) (segid "B   " and resid 54   and name N   )
         (segid "B   " and resid 54   and name CA  ) (segid "B   " and resid 54   and name C   )  1.00 -64.36 25.64 2

 ASSIGN  (segid "B   " and resid 54   and name N   ) (segid "B   " and resid 54   and name CA  )
         (segid "B   " and resid 54   and name C   ) (segid "B   " and resid 55   and name N   )  1.00 -44.47 25.53 2

 ASSIGN  (segid "B   " and resid 54   and name C   ) (segid "B   " and resid 55   and name N   )
         (segid "B   " and resid 55   and name CA  ) (segid "B   " and resid 55   and name C   )  1.00 -64.11 25.89 2

 ASSIGN  (segid "B   " and resid 55   and name N   ) (segid "B   " and resid 55   and name CA  )
         (segid "B   " and resid 55   and name C   ) (segid "B   " and resid 56   and name N   )  1.00 -44.34 25.66 2

 ASSIGN  (segid "B   " and resid 55   and name C   ) (segid "B   " and resid 56   and name N   )
         (segid "B   " and resid 56   and name CA  ) (segid "B   " and resid 56   and name C   )  1.00 -63.44 26.56 2

 ASSIGN  (segid "B   " and resid 56   and name N   ) (segid "B   " and resid 56   and name CA  )
         (segid "B   " and resid 56   and name C   ) (segid "B   " and resid 57   and name N   )  1.00 -43.45 26.55 2

 ASSIGN  (segid "B   " and resid 56   and name C   ) (segid "B   " and resid 57   and name N   )
         (segid "B   " and resid 57   and name CA  ) (segid "B   " and resid 57   and name C   )  1.00 -63.96 26.04 2

 ASSIGN  (segid "B   " and resid 57   and name N   ) (segid "B   " and resid 57   and name CA  )
         (segid "B   " and resid 57   and name C   ) (segid "B   " and resid 58   and name N   )  1.00 -42.59 27.41 2

 ASSIGN  (segid "B   " and resid 57   and name C   ) (segid "B   " and resid 58   and name N   )
         (segid "B   " and resid 58   and name CA  ) (segid "B   " and resid 58   and name C   )  1.00 -57.15 22.85 2

 ASSIGN  (segid "B   " and resid 58   and name N   ) (segid "B   " and resid 58   and name CA  )
         (segid "B   " and resid 58   and name C   ) (segid "B   " and resid 59   and name N   )  1.00 -45.00 25.00 2

 ASSIGN  (segid "B   " and resid 58   and name C   ) (segid "B   " and resid 59   and name N   )
         (segid "B   " and resid 59   and name CA  ) (segid "B   " and resid 59   and name C   )  1.00 -64.39 25.61 2

 ASSIGN  (segid "B   " and resid 59   and name N   ) (segid "B   " and resid 59   and name CA  )
         (segid "B   " and resid 59   and name C   ) (segid "B   " and resid 60   and name N   )  1.00 -40.81 29.19 2

 ASSIGN  (segid "B   " and resid 59   and name C   ) (segid "B   " and resid 60   and name N   )
         (segid "B   " and resid 60   and name CA  ) (segid "B   " and resid 60   and name C   )  1.00 -63.27 26.73 2

 ASSIGN  (segid "B   " and resid 60   and name N   ) (segid "B   " and resid 60   and name CA  )
         (segid "B   " and resid 60   and name C   ) (segid "B   " and resid 61   and name N   )  1.00 -36.87 33.13 2

 ASSIGN  (segid "B   " and resid 60   and name C   ) (segid "B   " and resid 61   and name N   )
         (segid "B   " and resid 61   and name CA  ) (segid "B   " and resid 61   and name C   )  1.00 -64.86 25.14 2

 ASSIGN  (segid "B   " and resid 61   and name N   ) (segid "B   " and resid 61   and name CA  )
         (segid "B   " and resid 61   and name C   ) (segid "B   " and resid 62   and name N   )  1.00 -35.17 24.83 2

 ASSIGN  (segid "B   " and resid 61   and name C   ) (segid "B   " and resid 62   and name N   )
         (segid "B   " and resid 62   and name CA  ) (segid "B   " and resid 62   and name C   )  1.00 -87.51 32.49 2

 ASSIGN  (segid "B   " and resid 62   and name N   ) (segid "B   " and resid 62   and name CA  )
         (segid "B   " and resid 62   and name C   ) (segid "B   " and resid 63   and name N   )  1.00 -13.34 56.66 2

 ASSIGN  (segid "B   " and resid 63   and name C   ) (segid "B   " and resid 64   and name N   )
         (segid "B   " and resid 64   and name CA  ) (segid "B   " and resid 64   and name C   )  1.00 -65.83 24.17 2

 ASSIGN  (segid "B   " and resid 64   and name N   ) (segid "B   " and resid 64   and name CA  )
         (segid "B   " and resid 64   and name C   ) (segid "B   " and resid 65   and name N   )  1.00 -19.83 30.17 2

 ASSIGN  (segid "B   " and resid 64   and name C   ) (segid "B   " and resid 65   and name N   )
         (segid "B   " and resid 65   and name CA  ) (segid "B   " and resid 65   and name C   )  1.00 -85.17 24.83 2

 ASSIGN  (segid "B   " and resid 65   and name N   ) (segid "B   " and resid 65   and name CA  )
         (segid "B   " and resid 65   and name C   ) (segid "B   " and resid 66   and name N   )  1.00   5.08 25.08 2

 ASSIGN  (segid "B   " and resid 65   and name C   ) (segid "B   " and resid 66   and name N   )
         (segid "B   " and resid 66   and name CA  ) (segid "B   " and resid 66   and name C   )  1.00  55.13 25.13 2

 ASSIGN  (segid "B   " and resid 66   and name N   ) (segid "B   " and resid 66   and name CA  )
         (segid "B   " and resid 66   and name C   ) (segid "B   " and resid 67   and name N   )  1.00  42.93 32.93 2

 ASSIGN  (segid "B   " and resid 66   and name C   ) (segid "B   " and resid 67   and name N   )
         (segid "B   " and resid 67   and name CA  ) (segid "B   " and resid 67   and name C   )  1.00 -96.28 33.72 2

 ASSIGN  (segid "B   " and resid 67   and name N   ) (segid "B   " and resid 67   and name CA  )
         (segid "B   " and resid 67   and name C   ) (segid "B   " and resid 68   and name N   )  1.00   1.60 41.60 2

 ASSIGN  (segid "B   " and resid 68   and name C   ) (segid "B   " and resid 69   and name N   )
         (segid "B   " and resid 69   and name CA  ) (segid "B   " and resid 69   and name C   )  1.00 -124.92 45.08 2

 ASSIGN  (segid "B   " and resid 69   and name N   ) (segid "B   " and resid 69   and name CA  )
         (segid "B   " and resid 69   and name C   ) (segid "B   " and resid 70   and name N   )  1.00 151.64 51.64 2

 ASSIGN  (segid "B   " and resid 69   and name C   ) (segid "B   " and resid 70   and name N   )
         (segid "B   " and resid 70   and name CA  ) (segid "B   " and resid 70   and name C   )  1.00 -104.75 35.25 2

 ASSIGN  (segid "B   " and resid 70   and name N   ) (segid "B   " and resid 70   and name CA  )
         (segid "B   " and resid 70   and name C   ) (segid "B   " and resid 71   and name N   )  1.00 120.11 20.11 2

 ASSIGN  (segid "B   " and resid 70   and name C   ) (segid "B   " and resid 71   and name N   )
         (segid "B   " and resid 71   and name CA  ) (segid "B   " and resid 71   and name C   )  1.00 -85.02 24.98 2

 ASSIGN  (segid "B   " and resid 71   and name N   ) (segid "B   " and resid 71   and name CA  )
         (segid "B   " and resid 71   and name C   ) (segid "B   " and resid 72   and name N   )  1.00 166.96 16.96 2

 ASSIGN  (segid "B   " and resid 71   and name C   ) (segid "B   " and resid 72   and name N   )
         (segid "B   " and resid 72   and name CA  ) (segid "B   " and resid 72   and name C   )  1.00 -62.72 17.28 2

 ASSIGN  (segid "B   " and resid 72   and name N   ) (segid "B   " and resid 72   and name CA  )
         (segid "B   " and resid 72   and name C   ) (segid "B   " and resid 73   and name N   )  1.00 -38.09 31.91 2

 ASSIGN  (segid "B   " and resid 72   and name C   ) (segid "B   " and resid 73   and name N   )
         (segid "B   " and resid 73   and name CA  ) (segid "B   " and resid 73   and name C   )  1.00 -64.20 15.80 2

 ASSIGN  (segid "B   " and resid 73   and name N   ) (segid "B   " and resid 73   and name CA  )
         (segid "B   " and resid 73   and name C   ) (segid "B   " and resid 74   and name N   )  1.00 -44.70 25.30 2

 ASSIGN  (segid "B   " and resid 73   and name C   ) (segid "B   " and resid 74   and name N   )
         (segid "B   " and resid 74   and name CA  ) (segid "B   " and resid 74   and name C   )  1.00 -65.28 24.72 2

 ASSIGN  (segid "B   " and resid 74   and name N   ) (segid "B   " and resid 74   and name CA  )
         (segid "B   " and resid 74   and name C   ) (segid "B   " and resid 75   and name N   )  1.00 -38.63 21.37 2

 ASSIGN  (segid "B   " and resid 74   and name C   ) (segid "B   " and resid 75   and name N   )
         (segid "B   " and resid 75   and name CA  ) (segid "B   " and resid 75   and name C   )  1.00 -64.89 25.11 2

 ASSIGN  (segid "B   " and resid 75   and name N   ) (segid "B   " and resid 75   and name CA  )
         (segid "B   " and resid 75   and name C   ) (segid "B   " and resid 76   and name N   )  1.00 -44.89 15.11 2

 ASSIGN  (segid "B   " and resid 75   and name C   ) (segid "B   " and resid 76   and name N   )
         (segid "B   " and resid 76   and name CA  ) (segid "B   " and resid 76   and name C   )  1.00 -64.33 25.67 2

 ASSIGN  (segid "B   " and resid 76   and name N   ) (segid "B   " and resid 76   and name CA  )
         (segid "B   " and resid 76   and name C   ) (segid "B   " and resid 77   and name N   )  1.00 -41.92 28.08 2

 ASSIGN  (segid "B   " and resid 76   and name C   ) (segid "B   " and resid 77   and name N   )
         (segid "B   " and resid 77   and name CA  ) (segid "B   " and resid 77   and name C   )  1.00 -64.91 15.09 2

 ASSIGN  (segid "B   " and resid 77   and name N   ) (segid "B   " and resid 77   and name CA  )
         (segid "B   " and resid 77   and name C   ) (segid "B   " and resid 78   and name N   )  1.00 -44.43 15.57 2

 ASSIGN  (segid "B   " and resid 77   and name C   ) (segid "B   " and resid 78   and name N   )
         (segid "B   " and resid 78   and name CA  ) (segid "B   " and resid 78   and name C   )  1.00 -64.93 25.07 2

 ASSIGN  (segid "B   " and resid 78   and name N   ) (segid "B   " and resid 78   and name CA  )
         (segid "B   " and resid 78   and name C   ) (segid "B   " and resid 79   and name N   )  1.00 -44.36 25.64 2

 ASSIGN  (segid "B   " and resid 78   and name C   ) (segid "B   " and resid 79   and name N   )
         (segid "B   " and resid 79   and name CA  ) (segid "B   " and resid 79   and name C   )  1.00 -64.79 25.21 2

 ASSIGN  (segid "B   " and resid 79   and name N   ) (segid "B   " and resid 79   and name CA  )
         (segid "B   " and resid 79   and name C   ) (segid "B   " and resid 80   and name N   )  1.00 -36.44 23.56 2

 ASSIGN  (segid "B   " and resid 79   and name C   ) (segid "B   " and resid 80   and name N   )
         (segid "B   " and resid 80   and name CA  ) (segid "B   " and resid 80   and name C   )  1.00 -63.91 26.09 2

 ASSIGN  (segid "B   " and resid 80   and name N   ) (segid "B   " and resid 80   and name CA  )
         (segid "B   " and resid 80   and name C   ) (segid "B   " and resid 81   and name N   )  1.00 -43.69 26.31 2

 ASSIGN  (segid "B   " and resid 80   and name C   ) (segid "B   " and resid 81   and name N   )
         (segid "B   " and resid 81   and name CA  ) (segid "B   " and resid 81   and name C   )  1.00 -64.24 25.76 2

 ASSIGN  (segid "B   " and resid 81   and name N   ) (segid "B   " and resid 81   and name CA  )
         (segid "B   " and resid 81   and name C   ) (segid "B   " and resid 82   and name N   )  1.00 -43.50 26.50 2

 ASSIGN  (segid "B   " and resid 81   and name C   ) (segid "B   " and resid 82   and name N   )
         (segid "B   " and resid 82   and name CA  ) (segid "B   " and resid 82   and name C   )  1.00 -64.89 25.11 2

 ASSIGN  (segid "B   " and resid 82   and name N   ) (segid "B   " and resid 82   and name CA  )
         (segid "B   " and resid 82   and name C   ) (segid "B   " and resid 83   and name N   )  1.00 -44.61 25.39 2

 ASSIGN  (segid "B   " and resid 82   and name C   ) (segid "B   " and resid 83   and name N   )
         (segid "B   " and resid 83   and name CA  ) (segid "B   " and resid 83   and name C   )  1.00 -62.74 17.26 2

 ASSIGN  (segid "B   " and resid 83   and name N   ) (segid "B   " and resid 83   and name CA  )
         (segid "B   " and resid 83   and name C   ) (segid "B   " and resid 84   and name N   )  1.00 -43.73 26.27 2

 ASSIGN  (segid "B   " and resid 83   and name C   ) (segid "B   " and resid 84   and name N   )
         (segid "B   " and resid 84   and name CA  ) (segid "B   " and resid 84   and name C   )  1.00 -61.97 28.03 2

 ASSIGN  (segid "B   " and resid 84   and name N   ) (segid "B   " and resid 84   and name CA  )
         (segid "B   " and resid 84   and name C   ) (segid "B   " and resid 85   and name N   )  1.00 -44.87 25.13 2

 ASSIGN  (segid "B   " and resid 84   and name C   ) (segid "B   " and resid 85   and name N   )
         (segid "B   " and resid 85   and name CA  ) (segid "B   " and resid 85   and name C   )  1.00 -64.47 25.53 2

 ASSIGN  (segid "B   " and resid 85   and name N   ) (segid "B   " and resid 85   and name CA  )
         (segid "B   " and resid 85   and name C   ) (segid "B   " and resid 86   and name N   )  1.00 -44.34 25.66 2

 ASSIGN  (segid "B   " and resid 85   and name C   ) (segid "B   " and resid 86   and name N   )
         (segid "B   " and resid 86   and name CA  ) (segid "B   " and resid 86   and name C   )  1.00 -64.69 15.31 2

 ASSIGN  (segid "B   " and resid 86   and name N   ) (segid "B   " and resid 86   and name CA  )
         (segid "B   " and resid 86   and name C   ) (segid "B   " and resid 87   and name N   )  1.00 -44.40 25.60 2

 ASSIGN  (segid "B   " and resid 86   and name C   ) (segid "B   " and resid 87   and name N   )
         (segid "B   " and resid 87   and name CA  ) (segid "B   " and resid 87   and name C   )  1.00 -62.07 27.93 2

 ASSIGN  (segid "B   " and resid 87   and name N   ) (segid "B   " and resid 87   and name CA  )
         (segid "B   " and resid 87   and name C   ) (segid "B   " and resid 88   and name N   )  1.00 -44.56 25.44 2

 ASSIGN  (segid "B   " and resid 87   and name C   ) (segid "B   " and resid 88   and name N   )
         (segid "B   " and resid 88   and name CA  ) (segid "B   " and resid 88   and name C   )  1.00 -64.61 25.39 2

 ASSIGN  (segid "B   " and resid 88   and name N   ) (segid "B   " and resid 88   and name CA  )
         (segid "B   " and resid 88   and name C   ) (segid "B   " and resid 89   and name N   )  1.00 -44.45 25.55 2

 ASSIGN  (segid "B   " and resid 88   and name C   ) (segid "B   " and resid 89   and name N   )
         (segid "B   " and resid 89   and name CA  ) (segid "B   " and resid 89   and name C   )  1.00 -58.84 31.16 2

 ASSIGN  (segid "B   " and resid 89   and name N   ) (segid "B   " and resid 89   and name CA  )
         (segid "B   " and resid 89   and name C   ) (segid "B   " and resid 90   and name N   )  1.00 -36.21 33.79 2

 ASSIGN  (segid "B   " and resid 89   and name C   ) (segid "B   " and resid 90   and name N   )
         (segid "B   " and resid 90   and name CA  ) (segid "B   " and resid 90   and name C   )  1.00 -64.86 25.14 2

 ASSIGN  (segid "B   " and resid 90   and name N   ) (segid "B   " and resid 90   and name CA  )
         (segid "B   " and resid 90   and name C   ) (segid "B   " and resid 91   and name N   )  1.00 -27.53 32.47 2

 ASSIGN  (segid "B   " and resid 90   and name C   ) (segid "B   " and resid 91   and name N   )
         (segid "B   " and resid 91   and name CA  ) (segid "B   " and resid 91   and name C   )  1.00 -74.56 25.44 2

 ASSIGN  (segid "B   " and resid 91   and name N   ) (segid "B   " and resid 91   and name CA  )
         (segid "B   " and resid 91   and name C   ) (segid "B   " and resid 92   and name N   )  1.00 -15.19 34.81 2

 ASSIGN  (segid "B   " and resid 91   and name C   ) (segid "B   " and resid 92   and name N   )
         (segid "B   " and resid 92   and name CA  ) (segid "B   " and resid 92   and name C   )  1.00  88.54 38.54 2

 ASSIGN  (segid "B   " and resid 92   and name N   ) (segid "B   " and resid 92   and name CA  )
         (segid "B   " and resid 92   and name C   ) (segid "B   " and resid 93   and name N   )  1.00   5.57 35.57 2

 ASSIGN  (segid "C   " and resid 1899  and name C   ) (segid "C   " and resid 1900  and name N   )
         (segid "C   " and resid 1900  and name CA  ) (segid "C   " and resid 1900  and name C   )  1.00 -55.56 34.44 2

 ASSIGN  (segid "C   " and resid 1900  and name N   ) (segid "C   " and resid 1900  and name CA  )
         (segid "C   " and resid 1900  and name C   ) (segid "C   " and resid 1901  and name N   )  1.00 -34.90 35.10 2

 ASSIGN  (segid "C   " and resid 1900  and name C   ) (segid "C   " and resid 1901  and name N   )
         (segid "C   " and resid 1901  and name CA  ) (segid "C   " and resid 1901  and name C   )  1.00 -62.27 27.73 2

 ASSIGN  (segid "C   " and resid 1901  and name N   ) (segid "C   " and resid 1901  and name CA  )
         (segid "C   " and resid 1901  and name C   ) (segid "C   " and resid 1902  and name N   )  1.00 -42.21 27.79 2

 ASSIGN  (segid "C   " and resid 1901  and name C   ) (segid "C   " and resid 1902  and name N   )
         (segid "C   " and resid 1902  and name CA  ) (segid "C   " and resid 1902  and name C   )  1.00 -64.88 25.12 2

 ASSIGN  (segid "C   " and resid 1902  and name N   ) (segid "C   " and resid 1902  and name CA  )
         (segid "C   " and resid 1902  and name C   ) (segid "C   " and resid 1903  and name N   )  1.00 -37.55 32.45 2

 ASSIGN  (segid "C   " and resid 1902  and name C   ) (segid "C   " and resid 1903  and name N   )
         (segid "C   " and resid 1903  and name CA  ) (segid "C   " and resid 1903  and name C   )  1.00 -68.22 31.78 2

 ASSIGN  (segid "C   " and resid 1903  and name N   ) (segid "C   " and resid 1903  and name CA  )
         (segid "C   " and resid 1903  and name C   ) (segid "C   " and resid 1904  and name N   )  1.00 -28.67 41.33 2

 ASSIGN  (segid "C   " and resid 1903  and name C   ) (segid "C   " and resid 1904  and name N   )
         (segid "C   " and resid 1904  and name CA  ) (segid "C   " and resid 1904  and name C   )  1.00 -71.74 38.26 2

 ASSIGN  (segid "C   " and resid 1904  and name N   ) (segid "C   " and resid 1904  and name CA  )
         (segid "C   " and resid 1904  and name C   ) (segid "C   " and resid 1905  and name N   )  1.00 -24.69 45.31 2

 ASSIGN  (segid "C   " and resid 1904  and name C   ) (segid "C   " and resid 1905  and name N   )
         (segid "C   " and resid 1905  and name CA  ) (segid "C   " and resid 1905  and name C   )  1.00 -56.65 33.35 2

 ASSIGN  (segid "C   " and resid 1905  and name N   ) (segid "C   " and resid 1905  and name CA  )
         (segid "C   " and resid 1905  and name C   ) (segid "C   " and resid 1906  and name N   )  1.00 -29.06 40.94 2

 ASSIGN  (segid "C   " and resid 1905  and name C   ) (segid "C   " and resid 1906  and name N   )
         (segid "C   " and resid 1906  and name CA  ) (segid "C   " and resid 1906  and name C   )  1.00 -63.21 26.79 2

 ASSIGN  (segid "C   " and resid 1906  and name N   ) (segid "C   " and resid 1906  and name CA  )
         (segid "C   " and resid 1906  and name C   ) (segid "C   " and resid 1907  and name N   )  1.00 -36.41 33.59 2

 ASSIGN  (segid "C   " and resid 1906  and name C   ) (segid "C   " and resid 1907  and name N   )
         (segid "C   " and resid 1907  and name CA  ) (segid "C   " and resid 1907  and name C   )  1.00 -64.84 25.16 2

 ASSIGN  (segid "C   " and resid 1907  and name N   ) (segid "C   " and resid 1907  and name CA  )
         (segid "C   " and resid 1907  and name C   ) (segid "C   " and resid 1908  and name N   )  1.00 -37.50 32.50 2

 ASSIGN  (segid "C   " and resid 1907  and name C   ) (segid "C   " and resid 1908  and name N   )
         (segid "C   " and resid 1908  and name CA  ) (segid "C   " and resid 1908  and name C   )  1.00 -64.88 25.12 2

 ASSIGN  (segid "C   " and resid 1908  and name N   ) (segid "C   " and resid 1908  and name CA  )
         (segid "C   " and resid 1908  and name C   ) (segid "C   " and resid 1909  and name N   )  1.00 -44.67 15.33 2

 ASSIGN  (segid "C   " and resid 1908  and name C   ) (segid "C   " and resid 1909  and name N   )
         (segid "C   " and resid 1909  and name CA  ) (segid "C   " and resid 1909  and name C   )  1.00 -64.78 25.22 2

 ASSIGN  (segid "C   " and resid 1909  and name N   ) (segid "C   " and resid 1909  and name CA  )
         (segid "C   " and resid 1909  and name C   ) (segid "C   " and resid 1910  and name N   )  1.00 -42.26 27.74 2

 ASSIGN  (segid "C   " and resid 1909  and name C   ) (segid "C   " and resid 1910  and name N   )
         (segid "C   " and resid 1910  and name CA  ) (segid "C   " and resid 1910  and name C   )  1.00 -64.16 15.84 2

 ASSIGN  (segid "C   " and resid 1910  and name N   ) (segid "C   " and resid 1910  and name CA  )
         (segid "C   " and resid 1910  and name C   ) (segid "C   " and resid 1911  and name N   )  1.00 -44.56 25.44 2

 ASSIGN  (segid "C   " and resid 1910  and name C   ) (segid "C   " and resid 1911  and name N   )
         (segid "C   " and resid 1911  and name CA  ) (segid "C   " and resid 1911  and name C   )  1.00 -64.70 25.30 2

 ASSIGN  (segid "C   " and resid 1911  and name N   ) (segid "C   " and resid 1911  and name CA  )
         (segid "C   " and resid 1911  and name C   ) (segid "C   " and resid 1912  and name N   )  1.00 -44.74 25.26 2

 ASSIGN  (segid "C   " and resid 1911  and name C   ) (segid "C   " and resid 1912  and name N   )
         (segid "C   " and resid 1912  and name CA  ) (segid "C   " and resid 1912  and name C   )  1.00 -62.17 17.83 2

 ASSIGN  (segid "C   " and resid 1912  and name N   ) (segid "C   " and resid 1912  and name CA  )
         (segid "C   " and resid 1912  and name C   ) (segid "C   " and resid 1913  and name N   )  1.00 -44.75 25.25 2

 ASSIGN  (segid "C   " and resid 1912  and name C   ) (segid "C   " and resid 1913  and name N   )
         (segid "C   " and resid 1913  and name CA  ) (segid "C   " and resid 1913  and name C   )  1.00 -64.96 25.04 2

 ASSIGN  (segid "C   " and resid 1913  and name N   ) (segid "C   " and resid 1913  and name CA  )
         (segid "C   " and resid 1913  and name C   ) (segid "C   " and resid 1914  and name N   )  1.00 -44.68 15.32 2

 ASSIGN  (segid "C   " and resid 1913  and name C   ) (segid "C   " and resid 1914  and name N   )
         (segid "C   " and resid 1914  and name CA  ) (segid "C   " and resid 1914  and name C   )  1.00 -64.96 15.04 2

 ASSIGN  (segid "C   " and resid 1914  and name N   ) (segid "C   " and resid 1914  and name CA  )
         (segid "C   " and resid 1914  and name C   ) (segid "C   " and resid 1915  and name N   )  1.00 -44.37 15.63 2

 ASSIGN  (segid "C   " and resid 1914  and name C   ) (segid "C   " and resid 1915  and name N   )
         (segid "C   " and resid 1915  and name CA  ) (segid "C   " and resid 1915  and name C   )  1.00 -64.75 15.25 2

 ASSIGN  (segid "C   " and resid 1915  and name N   ) (segid "C   " and resid 1915  and name CA  )
         (segid "C   " and resid 1915  and name C   ) (segid "C   " and resid 1916  and name N   )  1.00 -44.71 15.29 2

 ASSIGN  (segid "C   " and resid 1915  and name C   ) (segid "C   " and resid 1916  and name N   )
         (segid "C   " and resid 1916  and name CA  ) (segid "C   " and resid 1916  and name C   )  1.00 -64.54 25.46 2

 ASSIGN  (segid "C   " and resid 1916  and name N   ) (segid "C   " and resid 1916  and name CA  )
         (segid "C   " and resid 1916  and name C   ) (segid "C   " and resid 1917  and name N   )  1.00 -39.55 30.45 2

 ASSIGN  (segid "C   " and resid 1916  and name C   ) (segid "C   " and resid 1917  and name N   )
         (segid "C   " and resid 1917  and name CA  ) (segid "C   " and resid 1917  and name C   )  1.00 -63.39 16.61 2

 ASSIGN  (segid "C   " and resid 1917  and name N   ) (segid "C   " and resid 1917  and name CA  )
         (segid "C   " and resid 1917  and name C   ) (segid "C   " and resid 1918  and name N   )  1.00 -43.48 26.52 2

 ASSIGN  (segid "C   " and resid 1917  and name C   ) (segid "C   " and resid 1918  and name N   )
         (segid "C   " and resid 1918  and name CA  ) (segid "C   " and resid 1918  and name C   )  1.00 -64.27 25.73 2

 ASSIGN  (segid "C   " and resid 1918  and name N   ) (segid "C   " and resid 1918  and name CA  )
         (segid "C   " and resid 1918  and name C   ) (segid "C   " and resid 1919  and name N   )  1.00 -40.43 29.57 2

 ASSIGN  (segid "C   " and resid 1918  and name C   ) (segid "C   " and resid 1919  and name N   )
         (segid "C   " and resid 1919  and name CA  ) (segid "C   " and resid 1919  and name C   )  1.00 -63.87 26.13 2

 ASSIGN  (segid "C   " and resid 1919  and name N   ) (segid "C   " and resid 1919  and name CA  )
         (segid "C   " and resid 1919  and name C   ) (segid "C   " and resid 1920  and name N   )  1.00 -44.78 25.22 2

 ASSIGN  (segid "C   " and resid 1919  and name C   ) (segid "C   " and resid 1920  and name N   )
         (segid "C   " and resid 1920  and name CA  ) (segid "C   " and resid 1920  and name C   )  1.00 -61.61 28.39 2

 ASSIGN  (segid "C   " and resid 1920  and name N   ) (segid "C   " and resid 1920  and name CA  )
         (segid "C   " and resid 1920  and name C   ) (segid "C   " and resid 1921  and name N   )  1.00 -43.34 26.66 2

 ASSIGN  (segid "C   " and resid 1920  and name C   ) (segid "C   " and resid 1921  and name N   )
         (segid "C   " and resid 1921  and name CA  ) (segid "C   " and resid 1921  and name C   )  1.00 -63.78 26.22 2

 ASSIGN  (segid "C   " and resid 1921  and name N   ) (segid "C   " and resid 1921  and name CA  )
         (segid "C   " and resid 1921  and name C   ) (segid "C   " and resid 1922  and name N   )  1.00 -36.19 33.81 2

 ASSIGN  (segid "C   " and resid 1921  and name C   ) (segid "C   " and resid 1922  and name N   )
         (segid "C   " and resid 1922  and name CA  ) (segid "C   " and resid 1922  and name C   )  1.00 -66.59 33.41 2

 ASSIGN  (segid "C   " and resid 1922  and name N   ) (segid "C   " and resid 1922  and name CA  )
         (segid "C   " and resid 1922  and name C   ) (segid "C   " and resid 1923  and name N   )  1.00 -24.65 25.35 2

 ASSIGN  (segid "C   " and resid 1923  and name C   ) (segid "C   " and resid 1924  and name N   )
         (segid "C   " and resid 1924  and name CA  ) (segid "C   " and resid 1924  and name C   )  1.00  90.48 40.48 2

 ASSIGN  (segid "C   " and resid 1924  and name N   ) (segid "C   " and resid 1924  and name CA  )
         (segid "C   " and resid 1924  and name C   ) (segid "C   " and resid 1925  and name N   )  1.00   9.30 39.30 2

 ASSIGN  (segid "C   " and resid 1928  and name C   ) (segid "C   " and resid 1929  and name N   )
         (segid "C   " and resid 1929  and name CA  ) (segid "C   " and resid 1929  and name C   )  1.00 -129.12 40.88 2

 ASSIGN  (segid "C   " and resid 1929  and name N   ) (segid "C   " and resid 1929  and name CA  )
         (segid "C   " and resid 1929  and name C   ) (segid "C   " and resid 1930  and name N   )  1.00 148.05 38.05 2

 ASSIGN  (segid "C   " and resid 1929  and name C   ) (segid "C   " and resid 1930  and name N   )
         (segid "C   " and resid 1930  and name CA  ) (segid "C   " and resid 1930  and name C   )  1.00 -72.58 67.42 2

 ASSIGN  (segid "C   " and resid 1930  and name N   ) (segid "C   " and resid 1930  and name CA  )
         (segid "C   " and resid 1930  and name C   ) (segid "C   " and resid 1931  and name N   )  1.00 149.08 49.08 2

 ASSIGN  (segid "C   " and resid 1930  and name C   ) (segid "C   " and resid 1931  and name N   )
         (segid "C   " and resid 1931  and name CA  ) (segid "C   " and resid 1931  and name C   )  1.00 -64.43 25.57 2

 ASSIGN  (segid "C   " and resid 1931  and name N   ) (segid "C   " and resid 1931  and name CA  )
         (segid "C   " and resid 1931  and name C   ) (segid "C   " and resid 1932  and name N   )  1.00 144.69 24.69 2

 ASSIGN  (segid "C   " and resid 1933  and name C   ) (segid "C   " and resid 1934  and name N   )
         (segid "C   " and resid 1934  and name CA  ) (segid "C   " and resid 1934  and name C   )  1.00 -75.78 44.22 2

 ASSIGN  (segid "C   " and resid 1934  and name N   ) (segid "C   " and resid 1934  and name CA  )
         (segid "C   " and resid 1934  and name C   ) (segid "C   " and resid 1935  and name N   )  1.00 -14.57 35.43 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN1897           H1       GLN1897 -20.860 -10.859   0.667
    2    H2   GLN1897           H2       GLN1897 -19.641 -11.685   1.498
    3    H3   GLN1897           H3       GLN1897 -20.038 -12.140  -0.085
    4    HA   GLN1897           HA       GLN1897 -18.016 -10.930  -0.138
    5    HB2  GLN1897           HB2      GLN1897 -19.599 -10.548  -1.986
    6    HB3  GLN1897           HB3      GLN1897 -20.325  -9.222  -1.085
    7    HG2  GLN1897           HG2      GLN1897 -17.409  -9.116  -1.640
    8    HG3  GLN1897           HG3      GLN1897 -18.530  -8.797  -2.961
    9   HE21  GLN1897          HE21      GLN1897 -16.601  -7.121  -1.426
   10   HE22  GLN1897          HE22      GLN1897 -17.536  -5.753  -0.919
   11    H    ARG1898           H        ARG1898 -16.760  -9.913   1.215
   12    HA   ARG1898           HA       ARG1898 -16.950  -7.267   1.879
   13    HB2  ARG1898           HB2      ARG1898 -18.844  -8.210   3.370
   14    HB3  ARG1898           HB3      ARG1898 -17.544  -8.893   4.339
   15    HG2  ARG1898           HG2      ARG1898 -16.682  -6.749   4.864
   16    HG3  ARG1898           HG3      ARG1898 -17.709  -5.969   3.661
   17    HD2  ARG1898           HD2      ARG1898 -18.643  -5.544   5.809
   18    HD3  ARG1898           HD3      ARG1898 -19.691  -6.705   4.986
   19    HE   ARG1898           HE       ARG1898 -17.691  -7.863   6.730
   20   HH11  ARG1898          HH12      ARG1898 -21.015  -6.812   6.361
   21   HH12  ARG1898          HH11      ARG1898 -21.554  -7.605   7.814
   22   HH21  ARG1898          HH22      ARG1898 -18.396  -8.914   8.624
   23   HH22  ARG1898          HH21      ARG1898 -20.067  -8.786   9.103
   24    H    GLU1899           H        GLU1899 -15.022  -8.551   0.857
   25    HA   GLU1899           HA       GLU1899 -13.152  -9.910   2.429
   26    HB2  GLU1899           HB2      GLU1899 -11.519  -8.877   0.701
   27    HB3  GLU1899           HB3      GLU1899 -12.786  -9.952   0.113
   28    HG2  GLU1899           HG2      GLU1899 -13.504  -7.112   0.268
   29    HG3  GLU1899           HG3      GLU1899 -12.273  -7.499  -0.921
   30    H    LEU1900           H        LEU1900 -13.875  -6.535   2.051
   31    HA   LEU1900           HA       LEU1900 -11.494  -5.451   3.050
   32    HB2  LEU1900           HB2      LEU1900 -14.307  -4.371   2.886
   33    HB3  LEU1900           HB3      LEU1900 -12.980  -3.450   3.547
   34    HG   LEU1900           HG       LEU1900 -13.222  -2.682   1.379
   35   HD11  LEU1900          HD11      LEU1900 -10.925  -3.033   1.957
   36   HD12  LEU1900          HD12      LEU1900 -10.995  -4.684   1.336
   37   HD13  LEU1900          HD13      LEU1900 -11.176  -3.319   0.233
   38   HD21  LEU1900          HD21      LEU1900 -14.662  -4.409   0.548
   39   HD22  LEU1900          HD22      LEU1900 -13.359  -4.043  -0.587
   40   HD23  LEU1900          HD23      LEU1900 -13.284  -5.502   0.403
   41    H    GLU1901           H        GLU1901 -14.002  -7.124   4.617
   42    HA   GLU1901           HA       GLU1901 -13.789  -5.992   7.207
   43    HB2  GLU1901           HB2      GLU1901 -15.688  -7.334   6.728
   44    HB3  GLU1901           HB3      GLU1901 -14.694  -8.686   6.208
   45    HG2  GLU1901           HG2      GLU1901 -13.860  -8.843   8.567
   46    HG3  GLU1901           HG3      GLU1901 -15.095  -7.658   9.002
   47    H    ASP1902           H        ASP1902 -12.325  -8.902   5.753
   48    HA   ASP1902           HA       ASP1902 -10.594  -9.232   8.056
   49    HB2  ASP1902           HB2      ASP1902 -11.560 -11.210   6.935
   50    HB3  ASP1902           HB3      ASP1902 -10.702 -10.785   5.457
   51    H    ALA1903           H        ALA1903 -10.461  -7.962   4.834
   52    HA   ALA1903           HA       ALA1903  -7.653  -8.021   4.483
   53    HB1  ALA1903           HB1      ALA1903  -8.080  -6.401   2.670
   54    HB2  ALA1903           HB2      ALA1903  -9.131  -7.820   2.584
   55    HB3  ALA1903           HB3      ALA1903  -9.756  -6.288   3.201
   56    H    THR1904           H        THR1904  -9.749  -5.168   5.020
   57    HA   THR1904           HA       THR1904  -7.373  -3.666   5.701
   58    HB   THR1904           HB       THR1904  -8.839  -1.689   5.682
   59    HG1  THR1904           HG1      THR1904 -10.943  -1.906   5.716
   60   HG21  THR1904          HG21      THR1904  -9.362  -1.738   3.290
   61   HG22  THR1904          HG22      THR1904  -9.174  -3.492   3.282
   62   HG23  THR1904          HG23      THR1904  -7.783  -2.457   3.609
   63    H    GLU1905           H        GLU1905  -9.285  -5.627   7.441
   64    HA   GLU1905           HA       GLU1905  -9.647  -4.356   9.901
   65    HB2  GLU1905           HB2      GLU1905 -10.222  -6.734   9.340
   66    HB3  GLU1905           HB3      GLU1905  -8.504  -7.103   9.404
   67    HG2  GLU1905           HG2      GLU1905  -9.510  -7.805  11.448
   68    HG3  GLU1905           HG3      GLU1905  -8.481  -6.413  11.772
   69    H    THR1906           H        THR1906  -6.879  -5.871   8.410
   70    HA   THR1906           HA       THR1906  -4.993  -5.351  10.449
   71    HB   THR1906           HB       THR1906  -3.803  -5.617   7.834
   72    HG1  THR1906           HG1      THR1906  -5.586  -6.602   7.036
   73   HG21  THR1906          HG21      THR1906  -2.771  -6.342   9.934
   74   HG22  THR1906          HG22      THR1906  -2.932  -7.695   8.812
   75   HG23  THR1906          HG23      THR1906  -4.059  -7.528  10.162
   76    H    ALA1907           H        ALA1907  -6.483  -3.294   8.214
   77    HA   ALA1907           HA       ALA1907  -4.333  -1.648   7.494
   78    HB1  ALA1907           HB1      ALA1907  -7.242  -0.899   7.747
   79    HB2  ALA1907           HB2      ALA1907  -5.997   0.080   6.959
   80    HB3  ALA1907           HB3      ALA1907  -6.441  -1.501   6.291
   81    H    ASP1908           H        ASP1908  -6.646  -1.446  10.160
   82    HA   ASP1908           HA       ASP1908  -5.655   0.835  11.415
   83    HB2  ASP1908           HB2      ASP1908  -7.729  -0.143  12.137
   84    HB3  ASP1908           HB3      ASP1908  -6.934  -1.653  12.567
   85    H    ALA1909           H        ALA1909  -4.467  -2.481  11.472
   86    HA   ALA1909           HA       ALA1909  -2.513  -2.066  13.513
   87    HB1  ALA1909           HB1      ALA1909  -1.582  -4.197  12.795
   88    HB2  ALA1909           HB2      ALA1909  -3.338  -4.300  12.922
   89    HB3  ALA1909           HB3      ALA1909  -2.575  -4.158  11.338
   90    H    MET1910           H        MET1910  -1.909  -2.776  10.065
   91    HA   MET1910           HA       MET1910   0.583  -1.797   9.733
   92    HB2  MET1910           HB2      MET1910  -0.415  -2.862   7.912
   93    HB3  MET1910           HB3      MET1910  -1.793  -1.773   7.903
   94    HG2  MET1910           HG2      MET1910  -0.318   0.045   7.125
   95    HG3  MET1910           HG3      MET1910   1.025  -1.099   7.078
   96    HE1  MET1910           HE1      MET1910  -0.587  -3.716   6.114
   97    HE2  MET1910           HE2      MET1910  -0.265  -3.641   4.381
   98    HE3  MET1910           HE3      MET1910   1.020  -3.268   5.535
   99    H    ASN1911           H        ASN1911  -2.274   0.225  10.120
  100    HA   ASN1911           HA       ASN1911  -1.199   2.548   8.918
  101    HB2  ASN1911           HB2      ASN1911  -3.587   2.297   9.331
  102    HB3  ASN1911           HB3      ASN1911  -3.296   2.311  11.066
  103   HD21  ASN1911          HD21      ASN1911  -3.173   4.175   8.147
  104   HD22  ASN1911          HD22      ASN1911  -3.192   5.717   8.902
  105    H    ARG1912           H        ARG1912  -0.971   1.321  12.200
  106    HA   ARG1912           HA       ARG1912  -0.013   3.743  13.293
  107    HB2  ARG1912           HB2      ARG1912   0.087   0.879  14.217
  108    HB3  ARG1912           HB3      ARG1912   0.588   2.242  15.185
  109    HG2  ARG1912           HG2      ARG1912  -2.159   1.584  14.193
  110    HG3  ARG1912           HG3      ARG1912  -1.621   1.791  15.863
  111    HD2  ARG1912           HD2      ARG1912  -1.435   4.124  15.627
  112    HD3  ARG1912           HD3      ARG1912  -1.476   4.029  13.863
  113    HE   ARG1912           HE       ARG1912  -3.842   3.502  14.041
  114   HH11  ARG1912          HH12      ARG1912  -2.349   4.646  16.984
  115   HH12  ARG1912          HH11      ARG1912  -3.793   5.404  17.584
  116   HH21  ARG1912          HH22      ARG1912  -5.756   4.503  14.821
  117   HH22  ARG1912          HH21      ARG1912  -5.728   5.343  16.339
  118    H    GLU1913           H        GLU1913   1.514   0.738  12.294
  119    HA   GLU1913           HA       GLU1913   4.166   1.683  12.604
  120    HB2  GLU1913           HB2      GLU1913   4.794  -0.293  11.281
  121    HB3  GLU1913           HB3      GLU1913   3.688  -0.687  12.590
  122    HG2  GLU1913           HG2      GLU1913   1.829  -0.680  10.981
  123    HG3  GLU1913           HG3      GLU1913   2.984  -0.375   9.678
  124    H    VAL1914           H        VAL1914   1.855   1.838   9.944
  125    HA   VAL1914           HA       VAL1914   3.641   2.282   7.839
  126    HB   VAL1914           HB       VAL1914   1.018   1.945   7.833
  127   HG11  VAL1914          HG11      VAL1914  -0.194   3.988   7.239
  128   HG12  VAL1914          HG12      VAL1914   0.419   4.040   8.896
  129   HG13  VAL1914          HG13      VAL1914   1.246   4.937   7.617
  130   HG21  VAL1914          HG21      VAL1914   2.446   3.618   5.781
  131   HG22  VAL1914          HG22      VAL1914   2.401   1.855   5.857
  132   HG23  VAL1914          HG23      VAL1914   0.921   2.761   5.539
  133    H    SER1915           H        SER1915   2.220   4.526  10.136
  134    HA   SER1915           HA       SER1915   3.123   6.830   8.747
  135    HB2  SER1915           HB2      SER1915   1.164   6.814  10.164
  136    HB3  SER1915           HB3      SER1915   2.160   6.513  11.589
  137    HG   SER1915           HG       SER1915   2.419   8.588  11.704
  138    H    SER1916           H        SER1916   4.355   4.732  11.222
  139    HA   SER1916           HA       SER1916   6.606   6.405  11.880
  140    HB2  SER1916           HB2      SER1916   5.542   4.822  13.504
  141    HB3  SER1916           HB3      SER1916   6.143   3.482  12.527
  142    HG   SER1916           HG       SER1916   7.494   5.212  14.232
  143    H    LEU1917           H        LEU1917   5.983   3.545   9.894
  144    HA   LEU1917           HA       LEU1917   8.674   3.058   9.206
  145    HB2  LEU1917           HB2      LEU1917   6.827   1.377   9.062
  146    HB3  LEU1917           HB3      LEU1917   6.216   2.236   7.662
  147    HG   LEU1917           HG       LEU1917   8.983   1.026   7.773
  148   HD11  LEU1917          HD11      LEU1917   7.528  -0.820   7.955
  149   HD12  LEU1917          HD12      LEU1917   6.402  -0.137   6.776
  150   HD13  LEU1917          HD13      LEU1917   7.989  -0.704   6.252
  151   HD21  LEU1917          HD21      LEU1917   8.842   1.211   5.339
  152   HD22  LEU1917          HD22      LEU1917   7.270   2.001   5.504
  153   HD23  LEU1917          HD23      LEU1917   8.720   2.783   6.138
  154    H    LYS1918           H        LYS1918   6.025   4.667   7.459
  155    HA   LYS1918           HA       LYS1918   7.563   5.420   5.252
  156    HB2  LYS1918           HB2      LYS1918   5.440   5.802   4.691
  157    HB3  LYS1918           HB3      LYS1918   4.947   6.042   6.356
  158    HG2  LYS1918           HG2      LYS1918   6.460   8.217   5.045
  159    HG3  LYS1918           HG3      LYS1918   4.789   7.936   4.537
  160    HD2  LYS1918           HD2      LYS1918   3.930   8.335   6.685
  161    HD3  LYS1918           HD3      LYS1918   5.514   8.123   7.434
  162    HE2  LYS1918           HE2      LYS1918   6.323  10.145   6.421
  163    HE3  LYS1918           HE3      LYS1918   4.806  10.350   5.550
  164    HZ1  LYS1918           HZ1      LYS1918   4.744  11.787   7.420
  165    HZ2  LYS1918           HZ2      LYS1918   5.244  10.558   8.480
  166    HZ3  LYS1918           HZ3      LYS1918   3.704  10.493   7.778
  167    H    ASN1919           H        ASN1919   7.500   6.554   8.458
  168    HA   ASN1919           HA       ASN1919   8.868   9.034   7.943
  169    HB2  ASN1919           HB2      ASN1919   7.377   8.833   9.873
  170    HB3  ASN1919           HB3      ASN1919   8.372   7.536  10.525
  171   HD21  ASN1919          HD21      ASN1919  10.246   8.022  11.577
  172   HD22  ASN1919          HD22      ASN1919  10.731   9.635  11.966
  173    H    LYS1920           H        LYS1920   9.766   5.700   8.666
  174    HA   LYS1920           HA       LYS1920  12.503   6.475   9.190
  175    HB2  LYS1920           HB2      LYS1920  12.790   3.832   9.064
  176    HB3  LYS1920           HB3      LYS1920  12.246   4.657  10.508
  177    HG2  LYS1920           HG2      LYS1920   9.879   4.119   9.750
  178    HG3  LYS1920           HG3      LYS1920  10.599   3.007   8.563
  179    HD2  LYS1920           HD2      LYS1920  11.716   1.798  10.347
  180    HD3  LYS1920           HD3      LYS1920  11.150   2.957  11.545
  181    HE2  LYS1920           HE2      LYS1920   9.611   1.308  11.860
  182    HE3  LYS1920           HE3      LYS1920   8.787   2.237  10.611
  183    HZ1  LYS1920           HZ1      LYS1920   8.700  -0.074  10.056
  184    HZ2  LYS1920           HZ2      LYS1920  10.375  -0.245  10.230
  185    HZ3  LYS1920           HZ3      LYS1920   9.748   0.682   8.958
  186    H    LEU1921           H        LEU1921  10.578   5.479   6.528
  187    HA   LEU1921           HA       LEU1921  12.815   4.806   4.865
  188    HB2  LEU1921           HB2      LEU1921   9.996   5.552   4.085
  189    HB3  LEU1921           HB3      LEU1921  11.212   4.901   3.003
  190    HG   LEU1921           HG       LEU1921   9.746   3.518   5.220
  191   HD11  LEU1921          HD11      LEU1921   9.263   1.891   3.505
  192   HD12  LEU1921          HD12      LEU1921   8.780   3.508   2.971
  193   HD13  LEU1921          HD13      LEU1921  10.263   2.778   2.351
  194   HD21  LEU1921          HD21      LEU1921  12.116   3.026   5.546
  195   HD22  LEU1921          HD22      LEU1921  11.227   1.610   4.986
  196   HD23  LEU1921          HD23      LEU1921  12.241   2.516   3.863
  197    H    ARG1922           H        ARG1922  11.178   7.715   5.763
  198    HA   ARG1922           HA       ARG1922  12.680   9.194   3.741
  199    HB2  ARG1922           HB2      ARG1922  10.121   9.455   4.362
  200    HB3  ARG1922           HB3      ARG1922  10.776  10.530   5.591
  201    HG2  ARG1922           HG2      ARG1922  11.543  12.050   4.053
  202    HG3  ARG1922           HG3      ARG1922  11.681  10.836   2.774
  203    HD2  ARG1922           HD2      ARG1922   9.836  12.343   2.320
  204    HD3  ARG1922           HD3      ARG1922   9.259  10.697   2.628
  205    HE   ARG1922           HE       ARG1922   9.218  12.133   5.048
  206   HH11  ARG1922          HH12      ARG1922   7.572  12.124   1.950
  207   HH12  ARG1922          HH11      ARG1922   6.082  12.722   2.607
  208   HH21  ARG1922          HH22      ARG1922   7.263  12.948   5.891
  209   HH22  ARG1922          HH21      ARG1922   5.905  13.193   4.834
  210    H    ARG1923           H        ARG1923  13.257   8.030   6.654
  211    HA   ARG1923           HA       ARG1923  14.097  10.010   8.365
  212    HB2  ARG1923           HB2      ARG1923  14.080   7.748   9.088
  213    HB3  ARG1923           HB3      ARG1923  15.193   7.256   7.823
  214    HG2  ARG1923           HG2      ARG1923  17.001   8.447   8.909
  215    HG3  ARG1923           HG3      ARG1923  15.890   9.038  10.149
  216    HD2  ARG1923           HD2      ARG1923  15.595   6.906  11.068
  217    HD3  ARG1923           HD3      ARG1923  16.223   6.103   9.630
  218    HE   ARG1923           HE       ARG1923  18.386   7.414  10.424
  219   HH11  ARG1923          HH12      ARG1923  16.077   5.563  12.316
  220   HH12  ARG1923          HH11      ARG1923  17.270   5.028  13.470
  221   HH21  ARG1923          HH22      ARG1923  19.940   6.720  11.954
  222   HH22  ARG1923          HH21      ARG1923  19.444   5.710  13.283
  223    H    GLY1924           H        GLY1924  16.108   8.443   5.838
  224    HA2  GLY1924           HA2      GLY1924  17.247  10.280   4.461
  225    HA3  GLY1924           HA3      GLY1924  17.913  10.768   6.016
  226    H    ASP1925           H        ASP1925  17.944   7.886   6.794
  227    HA   ASP1925           HA       ASP1925  20.508   7.148   5.757
  228    HB2  ASP1925           HB2      ASP1925  18.517   5.702   7.519
  229    HB3  ASP1925           HB3      ASP1925  20.107   5.066   7.115
  230    H    LEU1926           H        LEU1926  17.262   6.692   4.858
  231    HA   LEU1926           HA       LEU1926  17.474   4.271   3.440
  232    HB2  LEU1926           HB2      LEU1926  15.546   6.466   3.681
  233    HB3  LEU1926           HB3      LEU1926  15.513   5.628   2.144
  234    HG   LEU1926           HG       LEU1926  14.357   4.857   4.647
  235   HD11  LEU1926          HD11      LEU1926  13.288   4.821   2.442
  236   HD12  LEU1926          HD12      LEU1926  14.415   3.570   1.908
  237   HD13  LEU1926          HD13      LEU1926  13.255   3.224   3.190
  238   HD21  LEU1926          HD21      LEU1926  16.452   3.613   5.014
  239   HD22  LEU1926          HD22      LEU1926  15.077   2.541   4.752
  240   HD23  LEU1926          HD23      LEU1926  16.240   2.813   3.455
  241    HA   PRO1927           HA       PRO1927  19.375   5.710  -0.333
  242    HB2  PRO1927           HB2      PRO1927  18.969   3.438  -1.738
  243    HB3  PRO1927           HB3      PRO1927  20.238   3.592  -0.524
  244    HG2  PRO1927           HG2      PRO1927  17.573   2.268  -0.329
  245    HG3  PRO1927           HG3      PRO1927  19.128   1.761   0.353
  246    HD2  PRO1927           HD2      PRO1927  17.143   3.011   1.778
  247    HD3  PRO1927           HD3      PRO1927  18.865   3.060   2.208
  248    H    PHE1928           H        PHE1928  16.159   4.332  -0.024
  249    HA   PHE1928           HA       PHE1928  15.493   5.282  -2.722
  250    HB2  PHE1928           HB2      PHE1928  14.441   3.331  -3.103
  251    HB3  PHE1928           HB3      PHE1928  15.299   2.755  -1.708
  252    HD1  PHE1928           HD2      PHE1928  12.211   4.626  -2.427
  253    HD2  PHE1928           HD1      PHE1928  14.071   1.528  -0.218
  254    HE1  PHE1928           HE2      PHE1928  10.063   4.107  -1.337
  255    HE2  PHE1928           HE1      PHE1928  11.949   1.012   0.873
  256    HZ   PHE1928           HZ       PHE1928   9.979   2.121   0.254
  257    H    VAL1929           H        VAL1929  13.522   6.279  -3.092
  258    HA   VAL1929           HA       VAL1929  11.760   7.132  -1.014
  259    HB   VAL1929           HB       VAL1929  12.355   9.601  -1.381
  260   HG11  VAL1929          HG11      VAL1929  12.765   8.363   0.711
  261   HG12  VAL1929          HG12      VAL1929  14.343   7.886   0.080
  262   HG13  VAL1929          HG13      VAL1929  13.998   9.590   0.392
  263   HG21  VAL1929          HG21      VAL1929  14.821   8.211  -2.382
  264   HG22  VAL1929          HG22      VAL1929  13.775   9.320  -3.269
  265   HG23  VAL1929          HG23      VAL1929  14.771   9.926  -1.940
  266    H    VAL1930           H        VAL1930  10.124   8.645  -1.856
  267    HA   VAL1930           HA       VAL1930   9.596   8.202  -4.642
  268    HB   VAL1930           HB       VAL1930   8.126  10.022  -2.724
  269   HG11  VAL1930          HG11      VAL1930   6.296   9.857  -4.351
  270   HG12  VAL1930          HG12      VAL1930   7.737  10.594  -5.053
  271   HG13  VAL1930          HG13      VAL1930   7.341   8.914  -5.415
  272   HG21  VAL1930          HG21      VAL1930   8.033   7.750  -1.919
  273   HG22  VAL1930          HG22      VAL1930   6.469   8.199  -2.612
  274   HG23  VAL1930          HG23      VAL1930   7.576   7.171  -3.523
  275    HA   PRO1931           HA       PRO1931  11.674  11.908  -6.154
  276    HB2  PRO1931           HB2      PRO1931  10.601  11.642  -8.670
  277    HB3  PRO1931           HB3      PRO1931  12.053  10.801  -8.118
  278    HG2  PRO1931           HG2      PRO1931   9.233   9.809  -8.291
  279    HG3  PRO1931           HG3      PRO1931  10.746   8.976  -8.706
  280    HD2  PRO1931           HD2      PRO1931   9.445   8.494  -6.407
  281    HD3  PRO1931           HD3      PRO1931  11.219   8.469  -6.493
  282    H    ARG1932           H        ARG1932  10.846  13.859  -7.411
  283    HA   ARG1932           HA       ARG1932   8.701  15.085  -6.173
  284    HB2  ARG1932           HB2      ARG1932   9.877  15.605  -8.902
  285    HB3  ARG1932           HB3      ARG1932   8.697  16.660  -8.139
  286    HG2  ARG1932           HG2      ARG1932  11.407  15.991  -7.014
  287    HG3  ARG1932           HG3      ARG1932  10.997  17.469  -7.884
  288    HD2  ARG1932           HD2      ARG1932   9.355  18.031  -6.164
  289    HD3  ARG1932           HD3      ARG1932   9.741  16.543  -5.301
  290    HE   ARG1932           HE       ARG1932  12.132  17.901  -5.604
  291   HH11  ARG1932          HH12      ARG1932   9.033  18.531  -4.059
  292   HH12  ARG1932          HH11      ARG1932   9.727  19.527  -2.808
  293   HH21  ARG1932          HH22      ARG1932  13.030  19.170  -3.963
  294   HH22  ARG1932          HH21      ARG1932  12.011  19.894  -2.755
  295    H    ARG1933           H        ARG1933   8.758  13.356  -9.243
  296    HA   ARG1933           HA       ARG1933   5.816  13.093  -9.096
  297    HB2  ARG1933           HB2      ARG1933   7.720  12.812 -11.432
  298    HB3  ARG1933           HB3      ARG1933   6.019  12.396 -11.504
  299    HG2  ARG1933           HG2      ARG1933   5.401  14.699 -11.145
  300    HG3  ARG1933           HG3      ARG1933   7.101  15.146 -10.946
  301    HD2  ARG1933           HD2      ARG1933   7.591  14.468 -13.204
  302    HD3  ARG1933           HD3      ARG1933   5.947  13.874 -13.419
  303    HE   ARG1933           HE       ARG1933   5.348  16.350 -12.990
  304   HH11  ARG1933          HH12      ARG1933   8.234  15.223 -14.602
  305   HH12  ARG1933          HH11      ARG1933   8.305  16.559 -15.714
  306   HH21  ARG1933          HH22      ARG1933   5.427  18.128 -14.450
  307   HH22  ARG1933          HH21      ARG1933   6.705  18.202 -15.631
  308    H    MET1934           H        MET1934   5.927  10.864 -10.998
  309    HA   MET1934           HA       MET1934   7.205   8.796  -9.368
  310    HB2  MET1934           HB2      MET1934   5.308   8.627 -11.715
  311    HB3  MET1934           HB3      MET1934   6.053   7.223 -10.957
  312    HG2  MET1934           HG2      MET1934   4.315   9.223  -9.535
  313    HG3  MET1934           HG3      MET1934   3.768   7.662 -10.150
  314    HE1  MET1934           HE1      MET1934   2.992   8.049  -7.444
  315    HE2  MET1934           HE2      MET1934   4.064   7.592  -6.119
  316    HE3  MET1934           HE3      MET1934   4.241   9.164  -6.896
  317    H    ALA1935           H        ALA1935   8.019  10.925 -11.579
  318    HA   ALA1935           HA       ALA1935   9.767  11.245 -12.974
  319    HB1  ALA1935           HB1      ALA1935  10.989   9.194 -11.139
  320    HB2  ALA1935           HB2      ALA1935  11.867  10.348 -12.148
  321    HB3  ALA1935           HB3      ALA1935  10.853  10.927 -10.824
  322    H    MET   1           H1       MET   1   3.219  -3.160 -21.533
  323    HA   MET   1           HA       MET   1   0.583  -2.748 -20.245
  324    HB2  MET   1           HB2      MET   1   1.981  -5.103 -20.425
  325    HB3  MET   1           HB3      MET   1   2.635  -4.423 -18.942
  326    HG2  MET   1           HG2      MET   1  -0.319  -4.636 -19.403
  327    HG3  MET   1           HG3      MET   1   0.621  -5.988 -18.778
  328    HE1  MET   1           HE1      MET   1   1.827  -4.777 -15.333
  329    HE2  MET   1           HE2      MET   1   1.606  -6.153 -16.414
  330    HE3  MET   1           HE3      MET   1   2.709  -4.850 -16.859
  331    H    ALA   2           H        ALA   2   1.088  -2.302 -17.796
  332    HA   ALA   2           HA       ALA   2   2.829   0.042 -17.864
  333    HB1  ALA   2           HB1      ALA   2   0.899  -0.860 -15.731
  334    HB2  ALA   2           HB2      ALA   2   1.684   0.715 -15.845
  335    HB3  ALA   2           HB3      ALA   2   0.502   0.229 -17.060
  336    H    CYS   3           H        CYS   3   4.064   0.498 -15.748
  337    HA   CYS   3           HA       CYS   3   5.674  -1.759 -15.016
  338    HB2  CYS   3           HB2      CYS   3   5.603   1.023 -13.815
  339    HB3  CYS   3           HB3      CYS   3   6.882  -0.172 -13.614
  340    HG   CYS   3           HG       CYS   3   7.833   1.820 -15.307
  341    HA   PRO   4           HA       PRO   4   2.234  -3.139 -12.553
  342    HB2  PRO   4           HB2      PRO   4   4.446  -4.794 -11.404
  343    HB3  PRO   4           HB3      PRO   4   2.836  -5.297 -11.949
  344    HG2  PRO   4           HG2      PRO   4   4.898  -5.786 -13.500
  345    HG3  PRO   4           HG3      PRO   4   3.421  -5.111 -14.218
  346    HD2  PRO   4           HD2      PRO   4   5.989  -3.738 -13.535
  347    HD3  PRO   4           HD3      PRO   4   4.946  -3.536 -14.959
  348    H    LEU   5           H        LEU   5   5.262  -3.240 -10.655
  349    HA   LEU   5           HA       LEU   5   3.856  -2.633  -8.246
  350    HB2  LEU   5           HB2      LEU   5   6.222  -3.837  -8.806
  351    HB3  LEU   5           HB3      LEU   5   6.785  -2.256  -8.304
  352    HG   LEU   5           HG       LEU   5   6.773  -3.889  -6.455
  353   HD11  LEU   5          HD11      LEU   5   4.773  -1.674  -6.099
  354   HD12  LEU   5          HD12      LEU   5   5.623  -2.525  -4.810
  355   HD13  LEU   5          HD13      LEU   5   6.523  -1.523  -5.950
  356   HD21  LEU   5          HD21      LEU   5   3.791  -3.899  -6.864
  357   HD22  LEU   5          HD22      LEU   5   4.891  -5.249  -7.149
  358   HD23  LEU   5          HD23      LEU   5   4.649  -4.641  -5.511
  359    H    GLU   6           H        GLU   6   5.645  -0.742 -10.608
  360    HA   GLU   6           HA       GLU   6   5.946   1.550  -9.012
  361    HB2  GLU   6           HB2      GLU   6   7.206   1.239 -11.111
  362    HB3  GLU   6           HB3      GLU   6   5.711   1.440 -12.019
  363    HG2  GLU   6           HG2      GLU   6   5.488   3.708 -11.012
  364    HG3  GLU   6           HG3      GLU   6   7.085   3.493 -10.303
  365    H    LYS   7           H        LYS   7   3.475   0.596 -11.354
  366    HA   LYS   7           HA       LYS   7   1.907   2.914 -11.130
  367    HB2  LYS   7           HB2      LYS   7   1.235   0.105 -11.995
  368    HB3  LYS   7           HB3      LYS   7   0.026   1.381 -11.954
  369    HG2  LYS   7           HG2      LYS   7   2.360   2.312 -13.327
  370    HG3  LYS   7           HG3      LYS   7   1.828   0.776 -14.014
  371    HD2  LYS   7           HD2      LYS   7   0.732   2.572 -15.183
  372    HD3  LYS   7           HD3      LYS   7  -0.464   1.715 -14.211
  373    HE2  LYS   7           HE2      LYS   7  -0.854   4.067 -13.990
  374    HE3  LYS   7           HE3      LYS   7  -0.209   3.463 -12.464
  375    HZ1  LYS   7           HZ1      LYS   7   0.875   5.492 -12.959
  376    HZ2  LYS   7           HZ2      LYS   7   1.236   5.010 -14.545
  377    HZ3  LYS   7           HZ3      LYS   7   2.013   4.261 -13.234
  378    H    ALA   8           H        ALA   8   2.103   0.030  -9.163
  379    HA   ALA   8           HA       ALA   8  -0.227   0.180  -7.692
  380    HB1  ALA   8           HB1      ALA   8   2.520  -0.484  -6.636
  381    HB2  ALA   8           HB2      ALA   8   0.985  -0.897  -5.872
  382    HB3  ALA   8           HB3      ALA   8   1.417  -1.610  -7.427
  383    H    LEU   9           H        LEU   9   2.866   1.793  -6.842
  384    HA   LEU   9           HA       LEU   9   1.642   3.290  -4.739
  385    HB2  LEU   9           HB2      LEU   9   4.256   3.841  -6.150
  386    HB3  LEU   9           HB3      LEU   9   3.735   4.557  -4.640
  387    HG   LEU   9           HG       LEU   9   5.228   2.945  -3.941
  388   HD11  LEU   9          HD11      LEU   9   2.568   1.538  -3.934
  389   HD12  LEU   9          HD12      LEU   9   3.950   1.142  -2.911
  390   HD13  LEU   9          HD13      LEU   9   3.145   2.701  -2.739
  391   HD21  LEU   9          HD21      LEU   9   5.576   1.896  -6.121
  392   HD22  LEU   9          HD22      LEU   9   5.411   0.702  -4.831
  393   HD23  LEU   9          HD23      LEU   9   4.065   1.005  -5.924
  394    H    ASP  10           H        ASP  10   2.392   3.932  -8.102
  395    HA   ASP  10           HA       ASP  10   1.956   6.698  -8.137
  396    HB2  ASP  10           HB2      ASP  10   3.037   5.664  -9.999
  397    HB3  ASP  10           HB3      ASP  10   1.664   4.600 -10.283
  398    H    VAL  11           H        VAL  11  -0.290   4.040  -8.856
  399    HA   VAL  11           HA       VAL  11  -2.466   5.799  -9.392
  400    HB   VAL  11           HB       VAL  11  -3.867   3.874  -9.539
  401   HG11  VAL  11          HG11      VAL  11  -2.677   2.561 -11.191
  402   HG12  VAL  11          HG12      VAL  11  -2.301   4.276 -11.371
  403   HG13  VAL  11          HG13      VAL  11  -1.136   3.194 -10.606
  404   HG21  VAL  11          HG21      VAL  11  -3.176   2.711  -7.524
  405   HG22  VAL  11          HG22      VAL  11  -3.104   1.628  -8.914
  406   HG23  VAL  11          HG23      VAL  11  -1.621   2.322  -8.259
  407    H    MET  12           H        MET  12  -1.147   4.373  -6.528
  408    HA   MET  12           HA       MET  12  -3.299   4.467  -4.790
  409    HB2  MET  12           HB2      MET  12  -0.361   4.890  -4.447
  410    HB3  MET  12           HB3      MET  12  -1.440   5.206  -3.094
  411    HG2  MET  12           HG2      MET  12  -2.189   2.970  -3.052
  412    HG3  MET  12           HG3      MET  12  -1.424   2.615  -4.600
  413    HE1  MET  12           HE1      MET  12  -0.715   0.461  -3.007
  414    HE2  MET  12           HE2      MET  12   0.448   0.610  -1.682
  415    HE3  MET  12           HE3      MET  12  -1.190   1.240  -1.487
  416    H    VAL  13           H        VAL  13  -0.908   7.072  -5.309
  417    HA   VAL  13           HA       VAL  13  -2.585   8.948  -3.937
  418    HB   VAL  13           HB       VAL  13  -0.920  10.654  -4.615
  419   HG11  VAL  13          HG11      VAL  13  -0.640   9.420  -2.543
  420   HG12  VAL  13          HG12      VAL  13   0.226   8.147  -3.403
  421   HG13  VAL  13          HG13      VAL  13   0.929   9.760  -3.281
  422   HG21  VAL  13          HG21      VAL  13   1.136   9.979  -5.704
  423   HG22  VAL  13          HG22      VAL  13   0.508   8.341  -5.913
  424   HG23  VAL  13          HG23      VAL  13  -0.251   9.694  -6.755
  425    H    SER  14           H        SER  14  -2.100   8.022  -7.262
  426    HA   SER  14           HA       SER  14  -3.272  10.273  -8.491
  427    HB2  SER  14           HB2      SER  14  -2.001   8.602  -9.762
  428    HB3  SER  14           HB3      SER  14  -3.230   7.387  -9.415
  429    HG   SER  14           HG       SER  14  -3.198   9.344 -11.311
  430    H    THR  15           H        THR  15  -4.708   7.088  -7.783
  431    HA   THR  15           HA       THR  15  -7.361   7.878  -8.362
  432    HB   THR  15           HB       THR  15  -6.539   5.588  -6.578
  433    HG1  THR  15           HG1      THR  15  -5.425   5.014  -8.299
  434   HG21  THR  15          HG21      THR  15  -8.834   5.889  -8.516
  435   HG22  THR  15          HG22      THR  15  -8.960   6.057  -6.766
  436   HG23  THR  15          HG23      THR  15  -8.518   4.501  -7.472
  437    H    PHE  16           H        PHE  16  -5.380   7.893  -5.509
  438    HA   PHE  16           HA       PHE  16  -7.194   8.395  -3.489
  439    HB2  PHE  16           HB2      PHE  16  -4.819   8.037  -3.105
  440    HB3  PHE  16           HB3      PHE  16  -4.431   9.539  -3.926
  441    HD1  PHE  16           HD1      PHE  16  -6.653   8.450  -1.130
  442    HD2  PHE  16           HD2      PHE  16  -3.776  11.227  -2.574
  443    HE1  PHE  16           HE1      PHE  16  -6.701   9.618   1.033
  444    HE2  PHE  16           HE2      PHE  16  -3.821  12.404  -0.418
  445    HZ   PHE  16           HZ       PHE  16  -5.285  11.596   1.388
  446    H    HIS  17           H        HIS  17  -5.896  10.600  -5.925
  447    HA   HIS  17           HA       HIS  17  -7.307  12.845  -4.729
  448    HB2  HIS  17           HB2      HIS  17  -5.495  12.699  -7.144
  449    HB3  HIS  17           HB3      HIS  17  -6.237  14.178  -6.543
  450    HD1  HIS  17           HD1      HIS  17  -5.712  13.769  -3.515
  451    HD2  HIS  17           HD2      HIS  17  -2.885  13.160  -6.504
  452    HE1  HIS  17           HE1      HIS  17  -3.478  13.975  -2.387
  453    HE2  HIS  17           HE2      HIS  17  -1.786  13.684  -4.225
  454    H    LYS  18           H        LYS  18  -7.983  10.428  -6.986
  455    HA   LYS  18           HA       LYS  18  -9.412  11.917  -8.937
  456    HB2  LYS  18           HB2      LYS  18  -9.624   9.010  -8.158
  457    HB3  LYS  18           HB3      LYS  18 -10.446   9.723  -9.533
  458    HG2  LYS  18           HG2      LYS  18  -8.272  10.256 -10.536
  459    HG3  LYS  18           HG3      LYS  18  -7.468   9.496  -9.158
  460    HD2  LYS  18           HD2      LYS  18  -8.632   7.384  -9.681
  461    HD3  LYS  18           HD3      LYS  18  -9.358   8.153 -11.093
  462    HE2  LYS  18           HE2      LYS  18  -7.108   8.538 -12.009
  463    HE3  LYS  18           HE3      LYS  18  -6.416   7.718 -10.611
  464    HZ1  LYS  18           HZ1      LYS  18  -8.317   6.465 -12.522
  465    HZ2  LYS  18           HZ2      LYS  18  -7.504   5.685 -11.254
  466    HZ3  LYS  18           HZ3      LYS  18  -6.632   6.278 -12.587
  467    H    TYR  19           H        TYR  19 -10.597   9.851  -6.274
  468    HA   TYR  19           HA       TYR  19 -13.294  10.795  -6.904
  469    HB2  TYR  19           HB2      TYR  19 -12.422   8.401  -5.282
  470    HB3  TYR  19           HB3      TYR  19 -14.078   8.793  -5.732
  471    HD1  TYR  19           HD2      TYR  19 -14.797   8.607  -8.094
  472    HD2  TYR  19           HD1      TYR  19 -10.916   7.395  -6.844
  473    HE1  TYR  19           HE2      TYR  19 -14.506   7.368 -10.202
  474    HE2  TYR  19           HE1      TYR  19 -10.619   6.159  -8.944
  475    HH   TYR  19           HH       TYR  19 -11.787   5.230 -10.722
  476    H    SER  20           H        SER  20 -10.905  11.313  -4.587
  477    HA   SER  20           HA       SER  20 -12.641  11.711  -2.331
  478    HB2  SER  20           HB2      SER  20 -10.597  12.725  -1.291
  479    HB3  SER  20           HB3      SER  20 -10.319  11.108  -1.958
  480    HG   SER  20           HG       SER  20  -8.769  12.044  -3.013
  481    H    GLY  21           H        GLY  21 -10.920  13.784  -4.633
  482    HA2  GLY  21           HA2      GLY  21 -12.045  16.226  -3.646
  483    HA3  GLY  21           HA3      GLY  21 -11.162  16.019  -5.154
  484    H    LYS  22           H        LYS  22 -14.110  14.559  -3.926
  485    HA   LYS  22           HA       LYS  22 -15.536  15.486  -6.325
  486    HB2  LYS  22           HB2      LYS  22 -15.217  13.078  -6.319
  487    HB3  LYS  22           HB3      LYS  22 -15.839  12.964  -4.682
  488    HG2  LYS  22           HG2      LYS  22 -18.045  13.580  -5.439
  489    HG3  LYS  22           HG3      LYS  22 -17.438  13.822  -7.079
  490    HD2  LYS  22           HD2      LYS  22 -17.260  11.204  -5.598
  491    HD3  LYS  22           HD3      LYS  22 -18.573  11.618  -6.701
  492    HE2  LYS  22           HE2      LYS  22 -15.650  11.560  -7.442
  493    HE3  LYS  22           HE3      LYS  22 -16.787  10.250  -7.750
  494    HZ1  LYS  22           HZ1      LYS  22 -17.033  13.007  -8.827
  495    HZ2  LYS  22           HZ2      LYS  22 -18.067  11.713  -9.158
  496    HZ3  LYS  22           HZ3      LYS  22 -16.461  11.671  -9.692
  497    H    GLU  23           H        GLU  23 -16.062  14.413  -2.958
  498    HA   GLU  23           HA       GLU  23 -18.247  16.302  -2.694
  499    HB2  GLU  23           HB2      GLU  23 -18.231  13.970  -1.699
  500    HB3  GLU  23           HB3      GLU  23 -17.036  14.556  -0.551
  501    HG2  GLU  23           HG2      GLU  23 -19.239  14.571   0.417
  502    HG3  GLU  23           HG3      GLU  23 -18.625  16.217   0.261
  503    H    GLY  24           H        GLY  24 -15.171  15.685  -0.942
  504    HA2  GLY  24           HA2      GLY  24 -15.169  18.558  -0.237
  505    HA3  GLY  24           HA3      GLY  24 -14.714  17.305   0.903
  506    H    ASP  25           H        ASP  25 -12.635  16.580   0.943
  507    HA   ASP  25           HA       ASP  25 -10.771  18.286  -0.517
  508    HB2  ASP  25           HB2      ASP  25 -10.453  16.475   1.869
  509    HB3  ASP  25           HB3      ASP  25  -9.070  17.198   1.053
  510    H    LYS  26           H        LYS  26  -8.871  17.486  -1.514
  511    HA   LYS  26           HA       LYS  26  -9.441  15.190  -3.182
  512    HB2  LYS  26           HB2      LYS  26  -6.985  16.946  -3.134
  513    HB3  LYS  26           HB3      LYS  26  -7.498  15.880  -4.437
  514    HG2  LYS  26           HG2      LYS  26  -9.226  17.280  -5.074
  515    HG3  LYS  26           HG3      LYS  26  -9.258  18.113  -3.518
  516    HD2  LYS  26           HD2      LYS  26  -8.276  19.577  -5.145
  517    HD3  LYS  26           HD3      LYS  26  -7.015  19.039  -4.036
  518    HE2  LYS  26           HE2      LYS  26  -6.278  17.377  -5.665
  519    HE3  LYS  26           HE3      LYS  26  -7.552  17.885  -6.770
  520    HZ1  LYS  26           HZ1      LYS  26  -5.275  19.549  -5.833
  521    HZ2  LYS  26           HZ2      LYS  26  -6.532  20.099  -6.831
  522    HZ3  LYS  26           HZ3      LYS  26  -5.474  18.895  -7.386
  523    H    PHE  27           H        PHE  27  -8.121  15.528  -0.214
  524    HA   PHE  27           HA       PHE  27  -6.603  13.039  -0.544
  525    HB2  PHE  27           HB2      PHE  27  -5.238  13.848   1.464
  526    HB3  PHE  27           HB3      PHE  27  -4.911  14.610  -0.086
  527    HD1  PHE  27           HD2      PHE  27  -6.974  15.072   2.985
  528    HD2  PHE  27           HD1      PHE  27  -4.835  16.893  -0.228
  529    HE1  PHE  27           HE2      PHE  27  -7.341  17.290   3.998
  530    HE2  PHE  27           HE1      PHE  27  -5.208  19.110   0.784
  531    HZ   PHE  27           HZ       PHE  27  -6.459  19.308   2.896
  532    H    LYS  28           H        LYS  28  -9.406  14.049   0.370
  533    HA   LYS  28           HA       LYS  28  -9.467  12.313   2.738
  534    HB2  LYS  28           HB2      LYS  28  -9.722  14.819   3.232
  535    HB3  LYS  28           HB3      LYS  28 -11.258  14.725   2.381
  536    HG2  LYS  28           HG2      LYS  28 -11.809  14.518   4.637
  537    HG3  LYS  28           HG3      LYS  28 -11.856  12.865   4.016
  538    HD2  LYS  28           HD2      LYS  28 -10.696  12.789   6.091
  539    HD3  LYS  28           HD3      LYS  28  -9.488  12.616   4.806
  540    HE2  LYS  28           HE2      LYS  28  -8.927  14.979   4.999
  541    HE3  LYS  28           HE3      LYS  28 -10.163  15.187   6.238
  542    HZ1  LYS  28           HZ1      LYS  28  -8.863  13.432   7.517
  543    HZ2  LYS  28           HZ2      LYS  28  -8.187  14.982   7.405
  544    HZ3  LYS  28           HZ3      LYS  28  -7.592  13.733   6.425
  545    H    LEU  29           H        LEU  29 -10.666  10.616   2.397
  546    HA   LEU  29           HA       LEU  29 -12.838  10.832   0.419
  547    HB2  LEU  29           HB2      LEU  29 -11.251   8.403   1.236
  548    HB3  LEU  29           HB3      LEU  29 -12.654   8.358   0.188
  549    HG   LEU  29           HG       LEU  29 -11.213  10.100  -1.207
  550   HD11  LEU  29          HD11      LEU  29  -9.160   8.475   0.280
  551   HD12  LEU  29          HD12      LEU  29  -8.833   9.428  -1.167
  552   HD13  LEU  29          HD13      LEU  29  -9.355  10.226   0.317
  553   HD21  LEU  29          HD21      LEU  29 -12.099   7.996  -2.038
  554   HD22  LEU  29          HD22      LEU  29 -10.430   8.225  -2.563
  555   HD23  LEU  29          HD23      LEU  29 -10.794   7.116  -1.241
  556    H    ASN  30           H        ASN  30 -14.700  11.124   1.433
  557    HA   ASN  30           HA       ASN  30 -15.407   9.635   3.797
  558    HB2  ASN  30           HB2      ASN  30 -17.738  10.548   3.268
  559    HB3  ASN  30           HB3      ASN  30 -16.493  11.743   3.610
  560   HD21  ASN  30          HD21      ASN  30 -18.598  10.406   1.216
  561   HD22  ASN  30          HD22      ASN  30 -18.272  11.575  -0.023
  562    H    LYS  31           H        LYS  31 -17.772   8.495   3.451
  563    HA   LYS  31           HA       LYS  31 -17.209   6.017   2.420
  564    HB2  LYS  31           HB2      LYS  31 -19.942   7.289   2.581
  565    HB3  LYS  31           HB3      LYS  31 -19.629   5.569   2.427
  566    HG2  LYS  31           HG2      LYS  31 -18.516   5.573   4.603
  567    HG3  LYS  31           HG3      LYS  31 -18.831   7.304   4.754
  568    HD2  LYS  31           HD2      LYS  31 -20.902   5.118   4.552
  569    HD3  LYS  31           HD3      LYS  31 -20.490   6.038   5.998
  570    HE2  LYS  31           HE2      LYS  31 -21.245   8.094   4.897
  571    HE3  LYS  31           HE3      LYS  31 -21.664   7.168   3.456
  572    HZ1  LYS  31           HZ1      LYS  31 -23.244   5.897   4.840
  573    HZ2  LYS  31           HZ2      LYS  31 -23.624   7.546   4.748
  574    HZ3  LYS  31           HZ3      LYS  31 -22.896   6.924   6.146
  575    H    SER  32           H        SER  32 -19.150   8.512   0.747
  576    HA   SER  32           HA       SER  32 -19.730   7.021  -1.508
  577    HB2  SER  32           HB2      SER  32 -19.504  10.019  -1.252
  578    HB3  SER  32           HB3      SER  32 -20.466   9.119  -2.405
  579    HG   SER  32           HG       SER  32 -21.635   8.243  -0.618
  580    H    GLU  33           H        GLU  33 -16.821   8.760  -0.693
  581    HA   GLU  33           HA       GLU  33 -15.957   9.120  -3.419
  582    HB2  GLU  33           HB2      GLU  33 -14.129   9.175  -1.026
  583    HB3  GLU  33           HB3      GLU  33 -14.007  10.089  -2.524
  584    HG2  GLU  33           HG2      GLU  33 -15.963  10.532  -0.284
  585    HG3  GLU  33           HG3      GLU  33 -14.600  11.555  -0.723
  586    H    LEU  34           H        LEU  34 -15.036   7.069  -0.682
  587    HA   LEU  34           HA       LEU  34 -13.261   5.392  -2.076
  588    HB2  LEU  34           HB2      LEU  34 -14.870   5.124   0.430
  589    HB3  LEU  34           HB3      LEU  34 -14.037   3.726  -0.216
  590    HG   LEU  34           HG       LEU  34 -12.639   6.308   0.444
  591   HD11  LEU  34          HD11      LEU  34 -11.869   5.132   2.465
  592   HD12  LEU  34          HD12      LEU  34 -13.612   5.409   2.464
  593   HD13  LEU  34          HD13      LEU  34 -12.974   3.807   2.092
  594   HD21  LEU  34          HD21      LEU  34 -10.646   4.927   0.324
  595   HD22  LEU  34          HD22      LEU  34 -11.629   3.508  -0.043
  596   HD23  LEU  34          HD23      LEU  34 -11.544   4.846  -1.192
  597    H    LYS  35           H        LYS  35 -16.751   5.295  -1.594
  598    HA   LYS  35           HA       LYS  35 -17.371   2.814  -2.551
  599    HB2  LYS  35           HB2      LYS  35 -18.956   4.393  -1.552
  600    HB3  LYS  35           HB3      LYS  35 -18.821   5.432  -2.962
  601    HG2  LYS  35           HG2      LYS  35 -19.793   3.702  -4.348
  602    HG3  LYS  35           HG3      LYS  35 -19.907   2.633  -2.945
  603    HD2  LYS  35           HD2      LYS  35 -21.387   4.243  -1.842
  604    HD3  LYS  35           HD3      LYS  35 -21.282   5.300  -3.259
  605    HE2  LYS  35           HE2      LYS  35 -23.269   4.115  -3.563
  606    HE3  LYS  35           HE3      LYS  35 -22.069   3.306  -4.575
  607    HZ1  LYS  35           HZ1      LYS  35 -21.874   1.550  -3.058
  608    HZ2  LYS  35           HZ2      LYS  35 -23.539   1.818  -3.191
  609    HZ3  LYS  35           HZ3      LYS  35 -22.694   2.390  -1.833
  610    H    GLU  36           H        GLU  36 -17.285   5.833  -4.447
  611    HA   GLU  36           HA       GLU  36 -17.662   4.550  -6.920
  612    HB2  GLU  36           HB2      GLU  36 -17.930   7.039  -6.291
  613    HB3  GLU  36           HB3      GLU  36 -16.205   7.155  -6.617
  614    HG2  GLU  36           HG2      GLU  36 -16.518   6.452  -8.871
  615    HG3  GLU  36           HG3      GLU  36 -18.225   6.121  -8.583
  616    H    LEU  37           H        LEU  37 -14.781   5.480  -5.138
  617    HA   LEU  37           HA       LEU  37 -12.789   4.979  -6.998
  618    HB2  LEU  37           HB2      LEU  37 -12.609   5.908  -4.642
  619    HB3  LEU  37           HB3      LEU  37 -12.638   4.245  -4.085
  620    HG   LEU  37           HG       LEU  37 -10.608   4.751  -6.132
  621   HD11  LEU  37          HD11      LEU  37 -10.423   6.118  -3.452
  622   HD12  LEU  37          HD12      LEU  37  -9.122   5.979  -4.634
  623   HD13  LEU  37          HD13      LEU  37 -10.565   6.918  -5.018
  624   HD21  LEU  37          HD21      LEU  37 -10.749   2.678  -4.843
  625   HD22  LEU  37          HD22      LEU  37  -9.227   3.514  -4.537
  626   HD23  LEU  37          HD23      LEU  37 -10.528   3.586  -3.348
  627    H    LEU  38           H        LEU  38 -14.080   2.692  -4.596
  628    HA   LEU  38           HA       LEU  38 -12.658   0.495  -5.659
  629    HB2  LEU  38           HB2      LEU  38 -14.916   0.769  -3.717
  630    HB3  LEU  38           HB3      LEU  38 -14.461  -0.819  -4.306
  631    HG   LEU  38           HG       LEU  38 -12.049   0.326  -3.515
  632   HD11  LEU  38          HD11      LEU  38 -12.451   1.025  -1.206
  633   HD12  LEU  38          HD12      LEU  38 -13.212   2.115  -2.364
  634   HD13  LEU  38          HD13      LEU  38 -14.188   0.937  -1.488
  635   HD21  LEU  38          HD21      LEU  38 -13.860  -1.558  -2.011
  636   HD22  LEU  38          HD22      LEU  38 -12.701  -2.005  -3.263
  637   HD23  LEU  38          HD23      LEU  38 -12.132  -1.340  -1.732
  638    H    THR  39           H        THR  39 -15.912   1.729  -6.260
  639    HA   THR  39           HA       THR  39 -16.874  -0.529  -7.656
  640    HB   THR  39           HB       THR  39 -18.557   0.939  -8.689
  641    HG1  THR  39           HG1      THR  39 -16.752   2.894  -7.924
  642   HG21  THR  39          HG21      THR  39 -19.646   1.699  -6.649
  643   HG22  THR  39          HG22      THR  39 -18.127   1.543  -5.767
  644   HG23  THR  39          HG23      THR  39 -18.922   0.108  -6.412
  645    H    ARG  40           H        ARG  40 -14.740   2.009  -8.601
  646    HA   ARG  40           HA       ARG  40 -15.114   1.495 -11.435
  647    HB2  ARG  40           HB2      ARG  40 -13.426   3.478  -9.916
  648    HB3  ARG  40           HB3      ARG  40 -13.375   3.316 -11.667
  649    HG2  ARG  40           HG2      ARG  40 -15.819   4.009 -10.051
  650    HG3  ARG  40           HG3      ARG  40 -14.817   5.156 -10.944
  651    HD2  ARG  40           HD2      ARG  40 -16.292   2.825 -12.160
  652    HD3  ARG  40           HD3      ARG  40 -16.858   4.496 -12.169
  653    HE   ARG  40           HE       ARG  40 -14.489   4.788 -13.323
  654   HH11  ARG  40          HH12      ARG  40 -16.928   2.333 -13.848
  655   HH12  ARG  40          HH11      ARG  40 -16.552   2.126 -15.533
  656   HH21  ARG  40          HH22      ARG  40 -13.953   4.507 -15.523
  657   HH22  ARG  40          HH21      ARG  40 -14.839   3.365 -16.489
  658    H    GLU  41           H        GLU  41 -12.279   1.615  -9.250
  659    HA   GLU  41           HA       GLU  41 -10.883  -0.025 -11.226
  660    HB2  GLU  41           HB2      GLU  41 -10.018   2.034  -9.278
  661    HB3  GLU  41           HB3      GLU  41  -8.876   0.756  -9.678
  662    HG2  GLU  41           HG2      GLU  41  -8.412   1.671 -11.620
  663    HG3  GLU  41           HG3      GLU  41 -10.114   1.788 -12.056
  664    H    LEU  42           H        LEU  42 -12.344  -0.452  -8.201
  665    HA   LEU  42           HA       LEU  42 -10.706  -2.880  -7.817
  666    HB2  LEU  42           HB2      LEU  42 -11.996  -1.282  -5.602
  667    HB3  LEU  42           HB3      LEU  42 -11.027  -2.728  -5.409
  668    HG   LEU  42           HG       LEU  42  -9.133  -1.327  -6.478
  669   HD11  LEU  42          HD11      LEU  42 -10.393   0.579  -7.207
  670   HD12  LEU  42          HD12      LEU  42 -11.053   0.840  -5.587
  671   HD13  LEU  42          HD13      LEU  42  -9.326   1.086  -5.894
  672   HD21  LEU  42          HD21      LEU  42  -9.148  -2.146  -4.190
  673   HD22  LEU  42          HD22      LEU  42  -8.519  -0.500  -4.252
  674   HD23  LEU  42          HD23      LEU  42 -10.166  -0.794  -3.694
  675    HA   PRO  43           HA       PRO  43 -15.474  -3.522  -7.749
  676    HB2  PRO  43           HB2      PRO  43 -15.460  -4.708 -10.396
  677    HB3  PRO  43           HB3      PRO  43 -16.392  -3.330  -9.807
  678    HG2  PRO  43           HG2      PRO  43 -14.375  -3.114 -11.630
  679    HG3  PRO  43           HG3      PRO  43 -14.840  -1.812 -10.519
  680    HD2  PRO  43           HD2      PRO  43 -12.554  -3.731 -10.345
  681    HD3  PRO  43           HD3      PRO  43 -12.613  -2.005  -9.935
  682    H    SER  44           H        SER  44 -12.823  -5.368  -8.982
  683    HA   SER  44           HA       SER  44 -13.849  -7.962  -8.659
  684    HB2  SER  44           HB2      SER  44 -10.964  -7.095  -8.327
  685    HB3  SER  44           HB3      SER  44 -11.558  -8.677  -8.839
  686    HG   SER  44           HG       SER  44 -10.884  -6.733 -10.414
  687    H    PHE  45           H        PHE  45 -12.593  -5.599  -6.451
  688    HA   PHE  45           HA       PHE  45 -12.450  -7.501  -4.235
  689    HB2  PHE  45           HB2      PHE  45 -11.825  -4.539  -4.306
  690    HB3  PHE  45           HB3      PHE  45 -11.485  -5.642  -2.976
  691    HD1  PHE  45           HD2      PHE  45  -9.869  -7.549  -3.392
  692    HD2  PHE  45           HD1      PHE  45 -10.294  -4.249  -6.041
  693    HE1  PHE  45           HE2      PHE  45  -7.679  -8.071  -4.387
  694    HE2  PHE  45           HE1      PHE  45  -8.106  -4.764  -7.042
  695    HZ   PHE  45           HZ       PHE  45  -6.795  -6.676  -6.213
  696    H    LEU  46           H        LEU  46 -14.885  -6.195  -5.733
  697    HA   LEU  46           HA       LEU  46 -16.374  -5.566  -3.267
  698    HB2  LEU  46           HB2      LEU  46 -16.995  -4.592  -6.052
  699    HB3  LEU  46           HB3      LEU  46 -17.856  -4.169  -4.579
  700    HG   LEU  46           HG       LEU  46 -15.012  -3.405  -5.251
  701   HD11  LEU  46          HD11      LEU  46 -15.936  -1.144  -5.372
  702   HD12  LEU  46          HD12      LEU  46 -16.660  -2.215  -6.572
  703   HD13  LEU  46          HD13      LEU  46 -17.553  -1.799  -5.112
  704   HD21  LEU  46          HD21      LEU  46 -16.716  -2.625  -2.888
  705   HD22  LEU  46          HD22      LEU  46 -15.376  -3.774  -2.840
  706   HD23  LEU  46          HD23      LEU  46 -15.072  -2.080  -3.228
  707    H    GLY  47           H        GLY  47 -15.912  -7.871  -5.560
  708    HA2  GLY  47           HA2      GLY  47 -17.140  -9.639  -6.367
  709    HA3  GLY  47           HA3      GLY  47 -18.184  -9.394  -4.975
  710    H    LYS  48           H        LYS  48 -17.808  -6.737  -7.075
  711    HA   LYS  48           HA       LYS  48 -19.206  -5.582  -8.432
  712    HB2  LYS  48           HB2      LYS  48 -18.956  -7.866  -9.682
  713    HB3  LYS  48           HB3      LYS  48 -20.622  -8.118  -9.185
  714    HG2  LYS  48           HG2      LYS  48 -20.830  -7.215 -11.305
  715    HG3  LYS  48           HG3      LYS  48 -21.064  -5.817 -10.254
  716    HD2  LYS  48           HD2      LYS  48 -19.596  -5.150 -12.015
  717    HD3  LYS  48           HD3      LYS  48 -18.623  -5.305 -10.549
  718    HE2  LYS  48           HE2      LYS  48 -17.913  -7.540 -11.271
  719    HE3  LYS  48           HE3      LYS  48 -18.871  -7.365 -12.738
  720    HZ1  LYS  48           HZ1      LYS  48 -16.663  -6.851 -13.307
  721    HZ2  LYS  48           HZ2      LYS  48 -16.446  -5.848 -11.963
  722    HZ3  LYS  48           HZ3      LYS  48 -17.462  -5.357 -13.229
  723    H    ARG  49           H        ARG  49 -20.058  -6.439  -5.613
  724    HA   ARG  49           HA       ARG  49 -22.844  -5.622  -5.861
  725    HB2  ARG  49           HB2      ARG  49 -23.587  -7.458  -4.402
  726    HB3  ARG  49           HB3      ARG  49 -22.909  -8.029  -5.920
  727    HG2  ARG  49           HG2      ARG  49 -20.805  -8.559  -4.792
  728    HG3  ARG  49           HG3      ARG  49 -21.499  -8.014  -3.262
  729    HD2  ARG  49           HD2      ARG  49 -21.584 -10.458  -3.521
  730    HD3  ARG  49           HD3      ARG  49 -23.187  -9.736  -3.377
  731    HE   ARG  49           HE       ARG  49 -22.049 -10.432  -6.005
  732   HH11  ARG  49          HH12      ARG  49 -24.607 -10.682  -3.618
  733   HH12  ARG  49          HH11      ARG  49 -25.713 -11.455  -4.715
  734   HH21  ARG  49          HH22      ARG  49 -23.520 -11.437  -7.448
  735   HH22  ARG  49          HH21      ARG  49 -25.109 -11.877  -6.876
  736    H    THR  50           H        THR  50 -21.341  -3.769  -4.993
  737    HA   THR  50           HA       THR  50 -21.192  -4.027  -2.075
  738    HB   THR  50           HB       THR  50 -19.732  -1.840  -2.499
  739    HG1  THR  50           HG1      THR  50 -20.130  -2.339  -4.884
  740   HG21  THR  50          HG21      THR  50 -18.773  -4.688  -2.774
  741   HG22  THR  50          HG22      THR  50 -19.069  -3.836  -1.258
  742   HG23  THR  50          HG23      THR  50 -17.777  -3.300  -2.333
  743    H    ASP  51           H        ASP  51 -22.840  -3.219  -1.132
  744    HA   ASP  51           HA       ASP  51 -23.827  -0.558  -1.907
  745    HB2  ASP  51           HB2      ASP  51 -25.465  -2.461  -1.463
  746    HB3  ASP  51           HB3      ASP  51 -24.941  -2.423   0.215
  747    H    GLU  52           H        GLU  52 -24.582   0.275   0.718
  748    HA   GLU  52           HA       GLU  52 -22.016   1.127   1.685
  749    HB2  GLU  52           HB2      GLU  52 -24.712   1.482   3.008
  750    HB3  GLU  52           HB3      GLU  52 -23.255   2.421   3.305
  751    HG2  GLU  52           HG2      GLU  52 -24.867   2.385   0.762
  752    HG3  GLU  52           HG3      GLU  52 -24.823   3.677   1.957
  753    H    ALA  53           H        ALA  53 -23.652  -1.685   2.002
  754    HA   ALA  53           HA       ALA  53 -23.231  -2.253   4.779
  755    HB1  ALA  53           HB1      ALA  53 -25.049  -3.292   3.519
  756    HB2  ALA  53           HB2      ALA  53 -23.870  -4.121   2.503
  757    HB3  ALA  53           HB3      ALA  53 -23.973  -4.498   4.222
  758    H    ALA  54           H        ALA  54 -21.750  -3.574   1.773
  759    HA   ALA  54           HA       ALA  54 -19.653  -4.905   3.129
  760    HB1  ALA  54           HB1      ALA  54 -20.247  -5.499   0.835
  761    HB2  ALA  54           HB2      ALA  54 -19.723  -3.909   0.276
  762    HB3  ALA  54           HB3      ALA  54 -18.543  -5.041   0.941
  763    H    PHE  55           H        PHE  55 -20.081  -1.647   1.969
  764    HA   PHE  55           HA       PHE  55 -17.358  -0.847   2.322
  765    HB2  PHE  55           HB2      PHE  55 -19.919   0.551   1.693
  766    HB3  PHE  55           HB3      PHE  55 -18.543   1.505   2.237
  767    HD1  PHE  55           HD1      PHE  55 -16.534   1.662   0.902
  768    HD2  PHE  55           HD2      PHE  55 -19.914  -0.530  -0.470
  769    HE1  PHE  55           HE1      PHE  55 -15.599   1.647  -1.369
  770    HE2  PHE  55           HE2      PHE  55 -18.981  -0.545  -2.744
  771    HZ   PHE  55           HZ       PHE  55 -16.822   0.542  -3.197
  772    H    GLN  56           H        GLN  56 -19.999  -1.269   4.444
  773    HA   GLN  56           HA       GLN  56 -19.455   0.691   6.376
  774    HB2  GLN  56           HB2      GLN  56 -21.536  -0.497   6.450
  775    HB3  GLN  56           HB3      GLN  56 -20.714  -2.041   6.617
  776    HG2  GLN  56           HG2      GLN  56 -19.909  -1.376   8.824
  777    HG3  GLN  56           HG3      GLN  56 -20.738   0.172   8.657
  778   HE21  GLN  56          HE21      GLN  56 -22.950   0.261   8.851
  779   HE22  GLN  56          HE22      GLN  56 -23.887  -1.053   9.472
  780    H    LYS  57           H        LYS  57 -18.361  -2.703   6.180
  781    HA   LYS  57           HA       LYS  57 -16.704  -2.499   8.483
  782    HB2  LYS  57           HB2      LYS  57 -17.328  -4.529   6.481
  783    HB3  LYS  57           HB3      LYS  57 -15.641  -4.559   6.970
  784    HG2  LYS  57           HG2      LYS  57 -17.855  -4.552   8.991
  785    HG3  LYS  57           HG3      LYS  57 -17.302  -6.041   8.228
  786    HD2  LYS  57           HD2      LYS  57 -16.002  -6.014  10.125
  787    HD3  LYS  57           HD3      LYS  57 -14.935  -5.200   8.981
  788    HE2  LYS  57           HE2      LYS  57 -15.565  -3.046   9.862
  789    HE3  LYS  57           HE3      LYS  57 -16.771  -3.786  10.914
  790    HZ1  LYS  57           HZ1      LYS  57 -14.841  -5.041  11.924
  791    HZ2  LYS  57           HZ2      LYS  57 -14.917  -3.381  12.260
  792    HZ3  LYS  57           HZ3      LYS  57 -13.820  -3.961  11.105
  793    H    LEU  58           H        LEU  58 -16.256  -2.082   5.048
  794    HA   LEU  58           HA       LEU  58 -13.478  -1.872   4.939
  795    HB2  LEU  58           HB2      LEU  58 -14.823  -1.986   2.938
  796    HB3  LEU  58           HB3      LEU  58 -15.607  -0.467   3.329
  797    HG   LEU  58           HG       LEU  58 -13.616   0.774   2.888
  798   HD11  LEU  58          HD11      LEU  58 -12.248  -1.897   2.588
  799   HD12  LEU  58          HD12      LEU  58 -11.525  -0.333   2.209
  800   HD13  LEU  58          HD13      LEU  58 -11.991  -0.714   3.867
  801   HD21  LEU  58          HD21      LEU  58 -14.831   0.329   0.911
  802   HD22  LEU  58          HD22      LEU  58 -13.136   0.057   0.519
  803   HD23  LEU  58          HD23      LEU  58 -14.209  -1.315   0.801
  804    H    MET  59           H        MET  59 -15.614   0.949   4.721
  805    HA   MET  59           HA       MET  59 -14.041   2.988   5.454
  806    HB2  MET  59           HB2      MET  59 -16.627   2.796   4.995
  807    HB3  MET  59           HB3      MET  59 -16.730   2.796   6.752
  808    HG2  MET  59           HG2      MET  59 -17.008   5.027   5.927
  809    HG3  MET  59           HG3      MET  59 -15.473   4.906   6.795
  810    HE1  MET  59           HE1      MET  59 -15.476   7.449   5.061
  811    HE2  MET  59           HE2      MET  59 -14.203   6.685   6.024
  812    HE3  MET  59           HE3      MET  59 -13.875   7.175   4.361
  813    H    SER  60           H        SER  60 -15.687   0.813   7.702
  814    HA   SER  60           HA       SER  60 -14.985   2.072  10.097
  815    HB2  SER  60           HB2      SER  60 -16.716   0.283   9.787
  816    HB3  SER  60           HB3      SER  60 -15.393  -0.879   9.653
  817    HG   SER  60           HG       SER  60 -15.318   0.772  11.874
  818    H    ASN  61           H        ASN  61 -13.421  -0.668   8.436
  819    HA   ASN  61           HA       ASN  61 -11.396  -0.983  10.408
  820    HB2  ASN  61           HB2      ASN  61 -11.665  -2.005   7.586
  821    HB3  ASN  61           HB3      ASN  61 -10.282  -2.386   8.605
  822   HD21  ASN  61          HD21      ASN  61 -12.139  -4.213   7.474
  823   HD22  ASN  61          HD22      ASN  61 -12.887  -5.041   8.793
  824    H    LEU  62           H        LEU  62 -11.716   0.867   7.510
  825    HA   LEU  62           HA       LEU  62  -8.974   1.628   7.241
  826    HB2  LEU  62           HB2      LEU  62 -11.559   2.449   6.086
  827    HB3  LEU  62           HB3      LEU  62 -10.341   3.708   6.143
  828    HG   LEU  62           HG       LEU  62  -8.842   2.415   4.786
  829   HD11  LEU  62          HD11      LEU  62  -9.425   0.211   3.950
  830   HD12  LEU  62          HD12      LEU  62  -9.351   0.215   5.711
  831   HD13  LEU  62          HD13      LEU  62 -10.913   0.233   4.894
  832   HD21  LEU  62          HD21      LEU  62 -10.543   3.710   3.619
  833   HD22  LEU  62          HD22      LEU  62 -10.154   2.235   2.732
  834   HD23  LEU  62          HD23      LEU  62 -11.642   2.331   3.673
  835    H    ASP  63           H        ASP  63 -11.801   3.088   8.708
  836    HA   ASP  63           HA       ASP  63 -10.577   5.484   9.552
  837    HB2  ASP  63           HB2      ASP  63 -13.005   5.169   9.244
  838    HB3  ASP  63           HB3      ASP  63 -13.029   4.066  10.614
  839    H    SER  64           H        SER  64  -8.658   4.991  10.601
  840    HA   SER  64           HA       SER  64  -8.718   3.187  12.884
  841    HB2  SER  64           HB2      SER  64  -6.320   3.288  12.821
  842    HB3  SER  64           HB3      SER  64  -6.874   3.164  11.150
  843    HG   SER  64           HG       SER  64  -6.624   5.438  10.975
  844    H    ASN  65           H        ASN  65  -8.572   6.590  12.167
  845    HA   ASN  65           HA       ASN  65  -7.961   7.273  14.924
  846    HB2  ASN  65           HB2      ASN  65  -8.033   9.584  14.219
  847    HB3  ASN  65           HB3      ASN  65  -7.094   8.665  13.052
  848   HD21  ASN  65          HD21      ASN  65  -9.915  10.562  13.602
  849   HD22  ASN  65          HD22      ASN  65 -10.468  10.597  11.959
  850    H    ARG  66           H        ARG  66 -10.648   6.462  13.105
  851    HA   ARG  66           HA       ARG  66 -12.818   6.192  13.618
  852    HB2  ARG  66           HB2      ARG  66 -11.672   6.677  16.321
  853    HB3  ARG  66           HB3      ARG  66 -13.419   6.727  16.143
  854    HG2  ARG  66           HG2      ARG  66 -12.770   4.524  16.814
  855    HG3  ARG  66           HG3      ARG  66 -13.341   4.462  15.148
  856    HD2  ARG  66           HD2      ARG  66 -10.934   4.600  14.431
  857    HD3  ARG  66           HD3      ARG  66 -10.494   4.382  16.127
  858    HE   ARG  66           HE       ARG  66 -12.289   2.354  15.214
  859   HH11  ARG  66          HH12      ARG  66  -8.918   3.310  15.286
  860   HH12  ARG  66          HH11      ARG  66  -8.324   1.708  14.960
  861   HH21  ARG  66          HH22      ARG  66 -11.519   0.249  14.847
  862   HH22  ARG  66          HH21      ARG  66  -9.809  -0.048  14.767
  863    H    ASP  67           H        ASP  67 -12.597   8.301  12.204
  864    HA   ASP  67           HA       ASP  67 -14.563  10.103  13.455
  865    HB2  ASP  67           HB2      ASP  67 -12.245  11.157  13.245
  866    HB3  ASP  67           HB3      ASP  67 -12.505  11.120  11.502
  867    H    ASN  68           H        ASN  68 -13.733   8.025  11.002
  868    HA   ASN  68           HA       ASN  68 -14.891   7.158   9.272
  869    HB2  ASN  68           HB2      ASN  68 -16.958   8.909  10.455
  870    HB3  ASN  68           HB3      ASN  68 -17.193   8.436   8.784
  871   HD21  ASN  68          HD21      ASN  68 -15.456   6.376  10.854
  872   HD22  ASN  68          HD22      ASN  68 -16.670   5.152  11.040
  873    H    GLU  69           H        GLU  69 -13.020   9.366   8.973
  874    HA   GLU  69           HA       GLU  69 -13.755  10.005   6.203
  875    HB2  GLU  69           HB2      GLU  69 -12.459  11.880   8.188
  876    HB3  GLU  69           HB3      GLU  69 -12.418  12.140   6.452
  877    HG2  GLU  69           HG2      GLU  69 -14.945  12.098   6.527
  878    HG3  GLU  69           HG3      GLU  69 -14.793  12.184   8.283
  879    H    VAL  70           H        VAL  70 -12.408   8.726   5.073
  880    HA   VAL  70           HA       VAL  70  -9.943   7.827   6.167
  881    HB   VAL  70           HB       VAL  70 -11.070   7.547   3.391
  882   HG11  VAL  70          HG11      VAL  70  -8.643   7.492   3.247
  883   HG12  VAL  70          HG12      VAL  70  -8.583   6.296   4.542
  884   HG13  VAL  70          HG13      VAL  70  -9.317   5.882   2.993
  885   HG21  VAL  70          HG21      VAL  70 -12.265   6.341   5.136
  886   HG22  VAL  70          HG22      VAL  70 -11.411   5.222   4.073
  887   HG23  VAL  70          HG23      VAL  70 -10.755   5.600   5.664
  888    H    ASP  71           H        ASP  71  -8.564   9.375   6.579
  889    HA   ASP  71           HA       ASP  71  -7.676  11.294   4.642
  890    HB2  ASP  71           HB2      ASP  71  -7.533  11.555   7.157
  891    HB3  ASP  71           HB3      ASP  71  -6.273  10.320   7.148
  892    H    PHE  72           H        PHE  72  -5.041  11.137   4.283
  893    HA   PHE  72           HA       PHE  72  -4.834   8.957   2.512
  894    HB2  PHE  72           HB2      PHE  72  -3.575  11.178   2.369
  895    HB3  PHE  72           HB3      PHE  72  -2.457  10.490   3.547
  896    HD1  PHE  72           HD2      PHE  72  -4.067   8.358   1.062
  897    HD2  PHE  72           HD1      PHE  72  -0.591  10.626   1.989
  898    HE1  PHE  72           HE2      PHE  72  -2.880   7.232  -0.738
  899    HE2  PHE  72           HE1      PHE  72   0.604   9.516   0.154
  900    HZ   PHE  72           HZ       PHE  72  -0.513   7.790  -1.171
  901    H    GLN  73           H        GLN  73  -3.891   9.433   5.780
  902    HA   GLN  73           HA       GLN  73  -2.133   7.318   6.197
  903    HB2  GLN  73           HB2      GLN  73  -4.241   8.394   8.084
  904    HB3  GLN  73           HB3      GLN  73  -2.881   7.382   8.550
  905    HG2  GLN  73           HG2      GLN  73  -2.653  10.122   7.326
  906    HG3  GLN  73           HG3      GLN  73  -2.543   9.768   9.048
  907   HE21  GLN  73          HE21      GLN  73  -1.107   7.285   8.644
  908   HE22  GLN  73          HE22      GLN  73   0.498   7.714   8.176
  909    H    GLU  74           H        GLU  74  -5.688   7.391   6.357
  910    HA   GLU  74           HA       GLU  74  -5.871   4.626   7.117
  911    HB2  GLU  74           HB2      GLU  74  -8.214   6.055   5.955
  912    HB3  GLU  74           HB3      GLU  74  -8.130   5.002   7.358
  913    HG2  GLU  74           HG2      GLU  74  -7.147   7.841   7.257
  914    HG3  GLU  74           HG3      GLU  74  -8.689   7.327   7.923
  915    H    TYR  75           H        TYR  75  -5.519   6.380   4.251
  916    HA   TYR  75           HA       TYR  75  -6.949   4.590   2.518
  917    HB2  TYR  75           HB2      TYR  75  -6.692   7.068   2.151
  918    HB3  TYR  75           HB3      TYR  75  -5.004   6.769   1.756
  919    HD1  TYR  75           HD2      TYR  75  -4.536   5.117  -0.158
  920    HD2  TYR  75           HD1      TYR  75  -8.316   6.960   0.515
  921    HE1  TYR  75           HE2      TYR  75  -5.167   4.617  -2.486
  922    HE2  TYR  75           HE1      TYR  75  -8.955   6.468  -1.829
  923    HH   TYR  75           HH       TYR  75  -7.893   6.001  -3.970
  924    H    CYS  76           H        CYS  76  -3.524   5.301   3.176
  925    HA   CYS  76           HA       CYS  76  -2.468   3.529   1.255
  926    HB2  CYS  76           HB2      CYS  76  -1.233   4.399   3.857
  927    HB3  CYS  76           HB3      CYS  76  -0.379   3.720   2.481
  928    HG   CYS  76           HG       CYS  76  -1.738   6.082   1.025
  929    H    VAL  77           H        VAL  77  -3.360   3.064   4.615
  930    HA   VAL  77           HA       VAL  77  -2.445   0.355   4.653
  931    HB   VAL  77           HB       VAL  77  -3.556   0.214   6.838
  932   HG11  VAL  77          HG11      VAL  77  -1.917   2.701   6.365
  933   HG12  VAL  77          HG12      VAL  77  -2.179   1.936   7.934
  934   HG13  VAL  77          HG13      VAL  77  -1.300   1.074   6.668
  935   HG21  VAL  77          HG21      VAL  77  -5.497   1.641   6.374
  936   HG22  VAL  77          HG22      VAL  77  -4.623   2.194   7.802
  937   HG23  VAL  77          HG23      VAL  77  -4.440   3.048   6.270
  938    H    PHE  78           H        PHE  78  -5.405   1.976   3.821
  939    HA   PHE  78           HA       PHE  78  -7.154  -0.166   3.670
  940    HB2  PHE  78           HB2      PHE  78  -8.074   1.928   3.168
  941    HB3  PHE  78           HB3      PHE  78  -6.764   2.355   2.083
  942    HD1  PHE  78           HD2      PHE  78  -9.508  -0.188   2.293
  943    HD2  PHE  78           HD1      PHE  78  -7.230   2.479  -0.113
  944    HE1  PHE  78           HE2      PHE  78 -10.914  -0.748   0.348
  945    HE2  PHE  78           HE1      PHE  78  -8.624   1.936  -2.057
  946    HZ   PHE  78           HZ       PHE  78 -10.474   0.321  -1.832
  947    H    LEU  79           H        LEU  79  -5.030   1.071   1.103
  948    HA   LEU  79           HA       LEU  79  -5.557  -1.087  -0.624
  949    HB2  LEU  79           HB2      LEU  79  -3.625   1.173  -0.621
  950    HB3  LEU  79           HB3      LEU  79  -3.427  -0.130  -1.785
  951    HG   LEU  79           HG       LEU  79  -5.812   1.672  -1.461
  952   HD11  LEU  79          HD11      LEU  79  -3.949   2.624  -2.717
  953   HD12  LEU  79          HD12      LEU  79  -3.912   1.198  -3.755
  954   HD13  LEU  79          HD13      LEU  79  -5.313   2.269  -3.778
  955   HD21  LEU  79          HD21      LEU  79  -6.871   0.344  -3.192
  956   HD22  LEU  79          HD22      LEU  79  -5.471  -0.733  -3.246
  957   HD23  LEU  79          HD23      LEU  79  -6.477  -0.674  -1.799
  958    H    SER  80           H        SER  80  -2.690  -0.406   1.376
  959    HA   SER  80           HA       SER  80  -1.212  -2.573   0.393
  960    HB2  SER  80           HB2      SER  80  -1.070  -1.129   3.032
  961    HB3  SER  80           HB3      SER  80   0.131  -2.297   2.472
  962    HG   SER  80           HG       SER  80   0.987  -0.677   1.474
  963    H    CYS  81           H        CYS  81  -3.715  -2.408   2.800
  964    HA   CYS  81           HA       CYS  81  -3.249  -5.081   3.729
  965    HB2  CYS  81           HB2      CYS  81  -5.437  -3.078   4.170
  966    HB3  CYS  81           HB3      CYS  81  -5.530  -4.725   4.812
  967    HG   CYS  81           HG       CYS  81  -3.438  -2.202   5.676
  968    H    ILE  82           H        ILE  82  -4.825  -3.673   1.033
  969    HA   ILE  82           HA       ILE  82  -6.482  -6.001   0.552
  970    HB   ILE  82           HB       ILE  82  -5.850  -3.916  -1.532
  971   HG12  ILE  82          HG12      ILE  82  -7.992  -3.791   0.597
  972   HG13  ILE  82          HG13      ILE  82  -6.581  -2.741   0.501
  973   HG21  ILE  82          HG21      ILE  82  -8.338  -5.543  -1.017
  974   HG22  ILE  82          HG22      ILE  82  -8.000  -4.532  -2.421
  975   HG23  ILE  82          HG23      ILE  82  -7.066  -6.008  -2.153
  976   HD11  ILE  82          HD11      ILE  82  -8.910  -2.871  -1.382
  977   HD12  ILE  82          HD12      ILE  82  -8.414  -1.528  -0.351
  978   HD13  ILE  82          HD13      ILE  82  -7.424  -1.993  -1.735
  979    H    ALA  83           H        ALA  83  -3.239  -4.880  -0.210
  980    HA   ALA  83           HA       ALA  83  -2.465  -6.837  -2.028
  981    HB1  ALA  83           HB1      ALA  83  -0.944  -5.930   0.419
  982    HB2  ALA  83           HB2      ALA  83  -0.259  -6.752  -0.983
  983    HB3  ALA  83           HB3      ALA  83  -0.928  -5.128  -1.153
  984    H    MET  84           H        MET  84  -2.346  -7.036   1.511
  985    HA   MET  84           HA       MET  84  -1.913  -9.776   1.726
  986    HB2  MET  84           HB2      MET  84  -3.247  -7.814   3.574
  987    HB3  MET  84           HB3      MET  84  -3.070  -9.511   4.001
  988    HG2  MET  84           HG2      MET  84  -0.687  -9.361   3.891
  989    HG3  MET  84           HG3      MET  84  -0.775  -7.723   3.242
  990    HE1  MET  84           HE1      MET  84  -1.458  -5.619   4.608
  991    HE2  MET  84           HE2      MET  84  -3.016  -6.386   4.920
  992    HE3  MET  84           HE3      MET  84  -2.102  -5.671   6.252
  993    H    MET  85           H        MET  85  -4.935  -7.981   1.408
  994    HA   MET  85           HA       MET  85  -6.755 -10.086   1.578
  995    HB2  MET  85           HB2      MET  85  -7.374  -7.651   1.273
  996    HB3  MET  85           HB3      MET  85  -6.893  -7.803  -0.403
  997    HG2  MET  85           HG2      MET  85  -8.564  -9.804  -0.432
  998    HG3  MET  85           HG3      MET  85  -9.240  -8.998   0.982
  999    HE1  MET  85           HE1      MET  85 -10.734  -5.782  -0.303
 1000    HE2  MET  85           HE2      MET  85 -10.850  -7.071   0.900
 1001    HE3  MET  85           HE3      MET  85  -9.354  -6.131   0.749
 1002    H    CYS  86           H        CYS  86  -5.067  -8.790  -1.262
 1003    HA   CYS  86           HA       CYS  86  -6.300 -10.467  -3.140
 1004    HB2  CYS  86           HB2      CYS  86  -5.192  -8.312  -3.660
 1005    HB3  CYS  86           HB3      CYS  86  -3.628  -9.069  -3.373
 1006    HG   CYS  86           HG       CYS  86  -4.609 -11.081  -5.466
 1007    H    ASN  87           H        ASN  87  -3.728 -11.194  -0.962
 1008    HA   ASN  87           HA       ASN  87  -2.652 -13.316  -2.602
 1009    HB2  ASN  87           HB2      ASN  87  -1.238 -12.129  -0.956
 1010    HB3  ASN  87           HB3      ASN  87  -2.223 -12.791   0.345
 1011   HD21  ASN  87          HD21      ASN  87  -1.892 -14.844   1.021
 1012   HD22  ASN  87          HD22      ASN  87  -0.651 -15.878   0.391
 1013    H    GLU  88           H        GLU  88  -4.991 -12.999  -0.010
 1014    HA   GLU  88           HA       GLU  88  -5.500 -15.861   0.053
 1015    HB2  GLU  88           HB2      GLU  88  -5.714 -14.441   2.098
 1016    HB3  GLU  88           HB3      GLU  88  -7.046 -13.590   1.330
 1017    HG2  GLU  88           HG2      GLU  88  -7.920 -15.209   2.863
 1018    HG3  GLU  88           HG3      GLU  88  -8.295 -15.713   1.216
 1019    H    PHE  89           H        PHE  89  -6.930 -12.891  -1.120
 1020    HA   PHE  89           HA       PHE  89  -9.245 -14.112  -2.272
 1021    HB2  PHE  89           HB2      PHE  89  -8.998 -11.682  -1.479
 1022    HB3  PHE  89           HB3      PHE  89  -8.089 -11.408  -2.964
 1023    HD1  PHE  89           HD1      PHE  89 -11.353 -12.779  -1.807
 1024    HD2  PHE  89           HD2      PHE  89  -9.214 -10.700  -4.843
 1025    HE1  PHE  89           HE1      PHE  89 -13.460 -12.377  -3.011
 1026    HE2  PHE  89           HE2      PHE  89 -11.316 -10.295  -6.052
 1027    HZ   PHE  89           HZ       PHE  89 -13.443 -11.134  -5.136
 1028    H    PHE  90           H        PHE  90  -6.039 -14.172  -3.094
 1029    HA   PHE  90           HA       PHE  90  -5.889 -14.009  -5.851
 1030    HB2  PHE  90           HB2      PHE  90  -4.077 -14.607  -4.069
 1031    HB3  PHE  90           HB3      PHE  90  -4.595 -16.266  -4.325
 1032    HD1  PHE  90           HD1      PHE  90  -4.556 -17.105  -6.791
 1033    HD2  PHE  90           HD2      PHE  90  -2.428 -13.698  -5.382
 1034    HE1  PHE  90           HE1      PHE  90  -3.015 -17.280  -8.702
 1035    HE2  PHE  90           HE2      PHE  90  -0.883 -13.865  -7.290
 1036    HZ   PHE  90           HZ       PHE  90  -1.178 -15.657  -8.955
 1037    H    GLU  91           H        GLU  91  -6.610 -16.893  -3.903
 1038    HA   GLU  91           HA       GLU  91  -7.977 -18.102  -6.172
 1039    HB2  GLU  91           HB2      GLU  91  -8.227 -20.069  -4.646
 1040    HB3  GLU  91           HB3      GLU  91  -6.559 -19.610  -4.955
 1041    HG2  GLU  91           HG2      GLU  91  -6.437 -18.517  -2.792
 1042    HG3  GLU  91           HG3      GLU  91  -8.127 -18.912  -2.483
 1043    H    GLY  92           H        GLY  92  -8.606 -16.789  -2.961
 1044    HA2  GLY  92           HA2      GLY  92 -10.473 -15.620  -2.274
 1045    HA3  GLY  92           HA3      GLY  92 -11.204 -15.934  -3.839
 1046    H    PHE  93           H        PHE  93  -9.994 -18.533  -1.883
 1047    HA   PHE  93           HA       PHE  93 -11.083 -20.515  -1.449
 1048    HB2  PHE  93           HB2      PHE  93 -12.508 -20.179   0.654
 1049    HB3  PHE  93           HB3      PHE  93 -10.823 -19.694   0.712
 1050    HD1  PHE  93           HD1      PHE  93 -14.294 -18.527   0.715
 1051    HD2  PHE  93           HD2      PHE  93 -10.203 -17.367   0.899
 1052    HE1  PHE  93           HE1      PHE  93 -14.965 -16.296   1.504
 1053    HE2  PHE  93           HE2      PHE  93 -10.869 -15.134   1.686
 1054    HZ   PHE  93           HZ       PHE  93 -13.251 -14.596   1.991
 1055    HA   PRO  94           HA       PRO  94 -15.121 -19.832  -3.579
 1056    HB2  PRO  94           HB2      PRO  94 -14.621 -21.063  -5.913
 1057    HB3  PRO  94           HB3      PRO  94 -14.127 -19.391  -5.621
 1058    HG2  PRO  94           HG2      PRO  94 -12.495 -21.882  -5.606
 1059    HG3  PRO  94           HG3      PRO  94 -12.055 -20.253  -6.145
 1060    HD2  PRO  94           HD2      PRO  94 -11.388 -21.399  -3.686
 1061    HD3  PRO  94           HD3      PRO  94 -11.321 -19.670  -4.075
 1062    H    ASP  95           H        ASP  95 -15.389 -21.337  -1.709
 1063    HA   ASP  95           HA       ASP  95 -16.070 -23.279  -0.753
 1064    HB2  ASP  95           HB2      ASP  95 -17.092 -23.722  -3.562
 1065    HB3  ASP  95           HB3      ASP  95 -17.496 -24.766  -2.203
 1066    H    LYS  96           H        LYS  96 -13.816 -23.813  -0.467
 1067    HA   LYS  96           HA       LYS  96 -12.830 -25.893  -2.284
 1068    HB2  LYS  96           HB2      LYS  96 -10.611 -25.484  -1.152
 1069    HB3  LYS  96           HB3      LYS  96 -11.232 -24.147  -2.103
 1070    HG2  LYS  96           HG2      LYS  96 -12.070 -23.136   0.033
 1071    HG3  LYS  96           HG3      LYS  96 -11.205 -24.408   0.894
 1072    HD2  LYS  96           HD2      LYS  96  -9.968 -22.405  -0.994
 1073    HD3  LYS  96           HD3      LYS  96  -9.915 -22.320   0.766
 1074    HE2  LYS  96           HE2      LYS  96  -8.679 -24.414   0.844
 1075    HE3  LYS  96           HE3      LYS  96  -8.773 -24.551  -0.913
 1076    HZ1  LYS  96           HZ1      LYS  96  -7.491 -22.504  -1.101
 1077    HZ2  LYS  96           HZ2      LYS  96  -6.636 -23.675  -0.218
 1078    HZ3  LYS  96           HZ3      LYS  96  -7.391 -22.388   0.588
 1079    H    GLN  97           H        GLN  97 -13.623 -27.769  -1.643
 1080    HA   GLN  97           HA       GLN  97 -13.533 -28.418   1.234
 1081    HB2  GLN  97           HB2      GLN  97 -15.825 -28.122   0.465
 1082    HB3  GLN  97           HB3      GLN  97 -15.557 -29.258  -0.849
 1083    HG2  GLN  97           HG2      GLN  97 -15.119 -31.015   0.876
 1084    HG3  GLN  97           HG3      GLN  97 -15.633 -29.851   2.097
 1085   HE21  GLN  97          HE21      GLN  97 -17.374 -31.116   2.716
 1086   HE22  GLN  97          HE22      GLN  97 -18.786 -31.287   1.734
 1087    HA   PRO  98           HA       PRO  98 -11.120 -31.851  -0.431
 1088    HB2  PRO  98           HB2      PRO  98  -9.602 -32.233   1.737
 1089    HB3  PRO  98           HB3      PRO  98  -9.309 -30.879   0.640
 1090    HG2  PRO  98           HG2      PRO  98 -10.628 -30.902   3.311
 1091    HG3  PRO  98           HG3      PRO  98  -9.571 -29.677   2.591
 1092    HD2  PRO  98           HD2      PRO  98 -12.363 -29.579   2.687
 1093    HD3  PRO  98           HD3      PRO  98 -11.326 -28.599   1.634
 1094    H    ARG  99           H        ARG  99 -11.280 -34.069  -0.076
 1095    HA   ARG  99           HA       ARG  99 -13.061 -34.869   2.132
 1096    HB2  ARG  99           HB2      ARG  99 -14.174 -35.144  -0.018
 1097    HB3  ARG  99           HB3      ARG  99 -12.821 -36.089  -0.624
 1098    HG2  ARG  99           HG2      ARG  99 -13.294 -37.865   0.914
 1099    HG3  ARG  99           HG3      ARG  99 -14.541 -36.902   1.708
 1100    HD2  ARG  99           HD2      ARG  99 -15.494 -38.565   0.176
 1101    HD3  ARG  99           HD3      ARG  99 -15.878 -36.916  -0.313
 1102    HE   ARG  99           HE       ARG  99 -13.546 -37.771  -1.650
 1103   HH11  ARG  99          HH12      ARG  99 -17.009 -38.331  -1.593
 1104   HH12  ARG  99          HH11      ARG  99 -17.079 -38.807  -3.265
 1105   HH21  ARG  99          HH22      ARG  99 -13.652 -38.378  -3.844
 1106   HH22  ARG  99          HH21      ARG  99 -15.181 -38.825  -4.543
 1107    H    LYS 100           H        LYS 100 -11.721 -35.594   3.645
 1108    HA   LYS 100           HA       LYS 100  -9.410 -37.205   2.951
 1109    HB2  LYS 100           HB2      LYS 100  -8.922 -37.130   5.363
 1110    HB3  LYS 100           HB3      LYS 100  -9.180 -35.522   4.700
 1111    HG2  LYS 100           HG2      LYS 100 -11.481 -35.559   5.582
 1112    HG3  LYS 100           HG3      LYS 100 -11.156 -37.137   6.300
 1113    HD2  LYS 100           HD2      LYS 100  -9.704 -34.568   6.930
 1114    HD3  LYS 100           HD3      LYS 100 -10.926 -35.340   7.944
 1115    HE2  LYS 100           HE2      LYS 100  -9.478 -37.317   8.144
 1116    HE3  LYS 100           HE3      LYS 100  -8.253 -36.505   7.170
 1117    HZ1  LYS 100           HZ1      LYS 100  -9.244 -35.668   9.838
 1118    HZ2  LYS 100           HZ2      LYS 100  -8.185 -34.750   8.890
 1119    HZ3  LYS 100           HZ3      LYS 100  -7.704 -36.270   9.467
 1120    H    LYS 101           H        LYS 101 -12.656 -37.624   3.976
 1121    HA   LYS 101           HA       LYS 101 -12.410 -40.484   3.779
 1122    HB2  LYS 101           HB2      LYS 101 -11.803 -40.010   6.155
 1123    HB3  LYS 101           HB3      LYS 101 -13.388 -39.279   6.374
 1124    HG2  LYS 101           HG2      LYS 101 -14.457 -41.401   5.877
 1125    HG3  LYS 101           HG3      LYS 101 -12.879 -42.144   5.604
 1126    HD2  LYS 101           HD2      LYS 101 -12.269 -41.616   7.939
 1127    HD3  LYS 101           HD3      LYS 101 -13.894 -40.976   8.192
 1128    HE2  LYS 101           HE2      LYS 101 -13.762 -43.240   9.027
 1129    HE3  LYS 101           HE3      LYS 101 -14.827 -43.178   7.624
 1130    HZ1  LYS 101           HZ1      LYS 101 -12.006 -44.112   7.654
 1131    HZ2  LYS 101           HZ2      LYS 101 -12.968 -43.984   6.262
 1132    HZ3  LYS 101           HZ3      LYS 101 -13.385 -45.083   7.483
 1133    H    MET   1           H1       MET   1  -5.352   0.337 -21.454
 1134    HA   MET   1           HA       MET   1  -2.639   0.350 -20.272
 1135    HB2  MET   1           HB2      MET   1  -5.157   1.860 -19.527
 1136    HB3  MET   1           HB3      MET   1  -3.693   1.818 -18.556
 1137    HG2  MET   1           HG2      MET   1  -2.468   2.882 -20.401
 1138    HG3  MET   1           HG3      MET   1  -3.969   2.969 -21.321
 1139    HE1  MET   1           HE1      MET   1  -6.115   5.416 -19.129
 1140    HE2  MET   1           HE2      MET   1  -6.063   4.448 -20.603
 1141    HE3  MET   1           HE3      MET   1  -6.086   3.656 -19.027
 1142    H    ALA   2           H        ALA   2  -2.956  -0.132 -17.808
 1143    HA   ALA   2           HA       ALA   2  -4.589  -2.552 -17.625
 1144    HB1  ALA   2           HB1      ALA   2  -2.517  -1.458 -15.723
 1145    HB2  ALA   2           HB2      ALA   2  -3.280  -3.046 -15.643
 1146    HB3  ALA   2           HB3      ALA   2  -2.199  -2.650 -16.984
 1147    H    CYS   3           H        CYS   3  -5.655  -2.833 -15.376
 1148    HA   CYS   3           HA       CYS   3  -7.258  -0.524 -14.766
 1149    HB2  CYS   3           HB2      CYS   3  -7.085  -3.184 -13.322
 1150    HB3  CYS   3           HB3      CYS   3  -8.354  -1.976 -13.134
 1151    HG   CYS   3           HG       CYS   3  -9.395  -4.122 -14.588
 1152    HA   PRO   4           HA       PRO   4  -3.695   1.091 -12.702
 1153    HB2  PRO   4           HB2      PRO   4  -5.818   2.858 -11.580
 1154    HB3  PRO   4           HB3      PRO   4  -4.248   3.301 -12.265
 1155    HG2  PRO   4           HG2      PRO   4  -6.406   3.639 -13.720
 1156    HG3  PRO   4           HG3      PRO   4  -4.979   2.882 -14.467
 1157    HD2  PRO   4           HD2      PRO   4  -7.495   1.604 -13.461
 1158    HD3  PRO   4           HD3      PRO   4  -6.560   1.250 -14.930
 1159    H    LEU   5           H        LEU   5  -6.569   1.360 -10.600
 1160    HA   LEU   5           HA       LEU   5  -4.988   0.992  -8.261
 1161    HB2  LEU   5           HB2      LEU   5  -7.404   2.118  -8.758
 1162    HB3  LEU   5           HB3      LEU   5  -7.902   0.586  -8.067
 1163    HG   LEU   5           HG       LEU   5  -7.799   2.398  -6.400
 1164   HD11  LEU   5          HD11      LEU   5  -5.762   0.232  -5.974
 1165   HD12  LEU   5          HD12      LEU   5  -6.524   1.210  -4.715
 1166   HD13  LEU   5          HD13      LEU   5  -7.498   0.103  -5.686
 1167   HD21  LEU   5          HD21      LEU   5  -4.847   2.379  -6.989
 1168   HD22  LEU   5          HD22      LEU   5  -5.974   3.695  -7.320
 1169   HD23  LEU   5          HD23      LEU   5  -5.628   3.231  -5.653
 1170    H    GLU   6           H        GLU   6  -6.926  -1.128 -10.284
 1171    HA   GLU   6           HA       GLU   6  -7.085  -3.281  -8.467
 1172    HB2  GLU   6           HB2      GLU   6  -8.490  -3.151 -10.499
 1173    HB3  GLU   6           HB3      GLU   6  -7.057  -3.426 -11.484
 1174    HG2  GLU   6           HG2      GLU   6  -6.743  -5.595 -10.308
 1175    HG3  GLU   6           HG3      GLU   6  -8.280  -5.322  -9.492
 1176    H    LYS   7           H        LYS   7  -4.788  -2.516 -11.064
 1177    HA   LYS   7           HA       LYS   7  -3.185  -4.794 -10.743
 1178    HB2  LYS   7           HB2      LYS   7  -2.621  -2.071 -11.920
 1179    HB3  LYS   7           HB3      LYS   7  -1.380  -3.323 -11.838
 1180    HG2  LYS   7           HG2      LYS   7  -3.794  -4.405 -12.942
 1181    HG3  LYS   7           HG3      LYS   7  -3.334  -2.942 -13.812
 1182    HD2  LYS   7           HD2      LYS   7  -2.299  -4.828 -14.878
 1183    HD3  LYS   7           HD3      LYS   7  -1.048  -3.880 -14.072
 1184    HE2  LYS   7           HE2      LYS   7  -0.620  -6.198 -13.663
 1185    HE3  LYS   7           HE3      LYS   7  -1.169  -5.462 -12.159
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.259  -7.538 -12.403
 1187    HZ2  LYS   7           HZ2      LYS   7  -2.739  -7.188 -13.992
 1188    HZ3  LYS   7           HZ3      LYS   7  -3.426  -6.340 -12.698
 1189    H    ALA   8           H        ALA   8  -3.256  -1.734  -9.052
 1190    HA   ALA   8           HA       ALA   8  -0.850  -1.746  -7.724
 1191    HB1  ALA   8           HB1      ALA   8  -3.525  -1.006  -6.546
 1192    HB2  ALA   8           HB2      ALA   8  -1.947  -0.514  -5.931
 1193    HB3  ALA   8           HB3      ALA   8  -2.493   0.049  -7.510
 1194    H    LEU   9           H        LEU   9  -3.853  -3.315  -6.537
 1195    HA   LEU   9           HA       LEU   9  -2.479  -4.583  -4.374
 1196    HB2  LEU   9           HB2      LEU   9  -5.176  -5.310  -5.531
 1197    HB3  LEU   9           HB3      LEU   9  -4.538  -5.841  -3.996
 1198    HG   LEU   9           HG       LEU   9  -6.017  -4.189  -3.377
 1199   HD11  LEU   9          HD11      LEU   9  -3.406  -2.746  -3.710
 1200   HD12  LEU   9          HD12      LEU   9  -4.728  -2.271  -2.641
 1201   HD13  LEU   9          HD13      LEU   9  -3.869  -3.785  -2.360
 1202   HD21  LEU   9          HD21      LEU   9  -6.544  -3.382  -5.617
 1203   HD22  LEU   9          HD22      LEU   9  -6.303  -2.052  -4.482
 1204   HD23  LEU   9          HD23      LEU   9  -5.037  -2.465  -5.636
 1205    H    ASP  10           H        ASP  10  -3.453  -5.535  -7.598
 1206    HA   ASP  10           HA       ASP  10  -3.004  -8.295  -7.410
 1207    HB2  ASP  10           HB2      ASP  10  -4.213  -7.422  -9.282
 1208    HB3  ASP  10           HB3      ASP  10  -2.862  -6.400  -9.756
 1209    H    VAL  11           H        VAL  11  -0.832  -5.707  -8.519
 1210    HA   VAL  11           HA       VAL  11   1.324  -7.502  -9.039
 1211    HB   VAL  11           HB       VAL  11   2.680  -5.586  -9.472
 1212   HG11  VAL  11          HG11      VAL  11   1.350  -4.430 -11.136
 1213   HG12  VAL  11          HG12      VAL  11   0.990  -6.156 -11.145
 1214   HG13  VAL  11          HG13      VAL  11  -0.134  -5.022 -10.390
 1215   HG21  VAL  11          HG21      VAL  11   2.123  -4.249  -7.519
 1216   HG22  VAL  11          HG22      VAL  11   1.937  -3.298  -8.993
 1217   HG23  VAL  11          HG23      VAL  11   0.512  -3.937  -8.172
 1218    H    MET  12           H        MET  12   0.190  -5.821  -6.244
 1219    HA   MET  12           HA       MET  12   2.456  -5.733  -4.643
 1220    HB2  MET  12           HB2      MET  12  -0.449  -6.138  -4.083
 1221    HB3  MET  12           HB3      MET  12   0.718  -6.317  -2.777
 1222    HG2  MET  12           HG2      MET  12   1.449  -4.087  -3.000
 1223    HG3  MET  12           HG3      MET  12   0.596  -3.893  -4.530
 1224    HE1  MET  12           HE1      MET  12   0.019  -1.564  -3.020
 1225    HE2  MET  12           HE2      MET  12  -1.060  -1.630  -1.614
 1226    HE3  MET  12           HE3      MET  12   0.578  -2.278  -1.503
 1227    H    VAL  13           H        VAL  13   0.065  -8.388  -4.776
 1228    HA   VAL  13           HA       VAL  13   1.849 -10.130  -3.360
 1229    HB   VAL  13           HB       VAL  13   0.159 -11.892  -3.761
 1230   HG11  VAL  13          HG11      VAL  13   0.018 -10.465  -1.810
 1231   HG12  VAL  13          HG12      VAL  13  -0.905  -9.271  -2.726
 1232   HG13  VAL  13          HG13      VAL  13  -1.597 -10.862  -2.399
 1233   HG21  VAL  13          HG21      VAL  13  -1.980 -11.321  -4.780
 1234   HG22  VAL  13          HG22      VAL  13  -1.372  -9.716  -5.184
 1235   HG23  VAL  13          HG23      VAL  13  -0.665 -11.142  -5.943
 1236    H    SER  14           H        SER  14   1.130  -9.512  -6.711
 1237    HA   SER  14           HA       SER  14   2.235 -11.861  -7.806
 1238    HB2  SER  14           HB2      SER  14   0.863 -10.314  -9.126
 1239    HB3  SER  14           HB3      SER  14   2.105  -9.071  -8.978
 1240    HG   SER  14           HG       SER  14   1.942 -11.190 -10.690
 1241    H    THR  15           H        THR  15   3.689  -8.621  -7.497
 1242    HA   THR  15           HA       THR  15   6.306  -9.462  -8.178
 1243    HB   THR  15           HB       THR  15   5.598  -7.011  -6.559
 1244    HG1  THR  15           HG1      THR  15   4.343  -6.614  -8.240
 1245   HG21  THR  15          HG21      THR  15   7.749  -7.500  -8.624
 1246   HG22  THR  15          HG22      THR  15   8.006  -7.495  -6.880
 1247   HG23  THR  15          HG23      THR  15   7.502  -6.017  -7.703
 1248    H    PHE  16           H        PHE  16   4.521  -9.213  -5.206
 1249    HA   PHE  16           HA       PHE  16   6.475  -9.520  -3.276
 1250    HB2  PHE  16           HB2      PHE  16   4.125  -9.134  -2.766
 1251    HB3  PHE  16           HB3      PHE  16   3.698 -10.710  -3.414
 1252    HD1  PHE  16           HD1      PHE  16   6.087  -9.353  -0.887
 1253    HD2  PHE  16           HD2      PHE  16   3.151 -12.263  -1.870
 1254    HE1  PHE  16           HE1      PHE  16   6.283 -10.303   1.371
 1255    HE2  PHE  16           HE2      PHE  16   3.341 -13.224   0.383
 1256    HZ   PHE  16           HZ       PHE  16   4.907 -12.241   2.008
 1257    H    HIS  17           H        HIS  17   5.040 -11.925  -5.419
 1258    HA   HIS  17           HA       HIS  17   6.533 -14.055  -4.112
 1259    HB2  HIS  17           HB2      HIS  17   4.553 -14.134  -6.398
 1260    HB3  HIS  17           HB3      HIS  17   5.356 -15.550  -5.727
 1261    HD1  HIS  17           HD1      HIS  17   5.042 -14.885  -2.711
 1262    HD2  HIS  17           HD2      HIS  17   1.998 -14.556  -5.530
 1263    HE1  HIS  17           HE1      HIS  17   2.895 -15.021  -1.412
 1264    HE2  HIS  17           HE2      HIS  17   1.066 -14.847  -3.129
 1265    H    LYS  18           H        LYS  18   7.037 -11.866  -6.630
 1266    HA   LYS  18           HA       LYS  18   8.343 -13.524  -8.527
 1267    HB2  LYS  18           HB2      LYS  18   8.582 -10.556  -8.033
 1268    HB3  LYS  18           HB3      LYS  18   9.313 -11.387  -9.393
 1269    HG2  LYS  18           HG2      LYS  18   7.084 -12.021 -10.190
 1270    HG3  LYS  18           HG3      LYS  18   6.366 -11.145  -8.833
 1271    HD2  LYS  18           HD2      LYS  18   7.472  -9.081  -9.618
 1272    HD3  LYS  18           HD3      LYS  18   8.101  -9.967 -11.004
 1273    HE2  LYS  18           HE2      LYS  18   5.790 -10.440 -11.716
 1274    HE3  LYS  18           HE3      LYS  18   5.196  -9.487 -10.356
 1275    HZ1  LYS  18           HZ1      LYS  18   6.955  -8.430 -12.504
 1276    HZ2  LYS  18           HZ2      LYS  18   6.225  -7.529 -11.268
 1277    HZ3  LYS  18           HZ3      LYS  18   5.271  -8.247 -12.475
 1278    H    TYR  19           H        TYR  19   9.695 -11.217  -6.161
 1279    HA   TYR  19           HA       TYR  19  12.369 -12.199  -6.875
 1280    HB2  TYR  19           HB2      TYR  19  11.560  -9.670  -5.429
 1281    HB3  TYR  19           HB3      TYR  19  13.189 -10.090  -5.952
 1282    HD1  TYR  19           HD2      TYR  19  13.739 -10.126  -8.372
 1283    HD2  TYR  19           HD1      TYR  19   9.943  -8.817  -6.968
 1284    HE1  TYR  19           HE2      TYR  19  13.291  -9.091 -10.558
 1285    HE2  TYR  19           HE1      TYR  19   9.488  -7.783  -9.149
 1286    HH   TYR  19           HH       TYR  19  10.522  -7.022 -11.086
 1287    H    SER  20           H        SER  20  10.131 -12.510  -4.373
 1288    HA   SER  20           HA       SER  20  12.014 -12.696  -2.212
 1289    HB2  SER  20           HB2      SER  20  10.056 -13.639  -0.974
 1290    HB3  SER  20           HB3      SER  20   9.721 -12.080  -1.732
 1291    HG   SER  20           HG       SER  20   8.110 -13.103  -2.600
 1292    H    GLY  21           H        GLY  21  10.155 -14.980  -4.183
 1293    HA2  GLY  21           HA2      GLY  21  11.380 -17.313  -3.063
 1294    HA3  GLY  21           HA3      GLY  21  10.386 -17.252  -4.513
 1295    H    LYS  22           H        LYS  22  13.400 -15.684  -3.631
 1296    HA   LYS  22           HA       LYS  22  14.663 -16.814  -6.035
 1297    HB2  LYS  22           HB2      LYS  22  14.315 -14.421  -6.218
 1298    HB3  LYS  22           HB3      LYS  22  15.049 -14.157  -4.647
 1299    HG2  LYS  22           HG2      LYS  22  17.204 -14.817  -5.500
 1300    HG3  LYS  22           HG3      LYS  22  16.489 -15.211  -7.068
 1301    HD2  LYS  22           HD2      LYS  22  16.347 -12.473  -5.816
 1302    HD3  LYS  22           HD3      LYS  22  17.620 -12.964  -6.940
 1303    HE2  LYS  22           HE2      LYS  22  14.664 -13.002  -7.531
 1304    HE3  LYS  22           HE3      LYS  22  15.771 -11.721  -8.014
 1305    HZ1  LYS  22           HZ1      LYS  22  16.001 -14.563  -8.844
 1306    HZ2  LYS  22           HZ2      LYS  22  16.988 -13.284  -9.351
 1307    HZ3  LYS  22           HZ3      LYS  22  15.353 -13.317  -9.795
 1308    H    GLU  23           H        GLU  23  15.418 -15.428  -2.828
 1309    HA   GLU  23           HA       GLU  23  17.629 -17.284  -2.542
 1310    HB2  GLU  23           HB2      GLU  23  17.665 -14.870  -1.767
 1311    HB3  GLU  23           HB3      GLU  23  16.556 -15.350  -0.490
 1312    HG2  GLU  23           HG2      GLU  23  18.826 -15.273   0.312
 1313    HG3  GLU  23           HG3      GLU  23  18.210 -16.922   0.361
 1314    H    GLY  24           H        GLY  24  14.676 -16.511  -0.644
 1315    HA2  GLY  24           HA2      GLY  24  14.753 -19.307   0.317
 1316    HA3  GLY  24           HA3      GLY  24  14.365 -17.956   1.367
 1317    H    ASP  25           H        ASP  25  12.291 -17.251   1.499
 1318    HA   ASP  25           HA       ASP  25  10.342 -19.077   0.328
 1319    HB2  ASP  25           HB2      ASP  25  10.184 -17.064   2.561
 1320    HB3  ASP  25           HB3      ASP  25   8.748 -17.851   1.909
 1321    H    LYS  26           H        LYS  26   8.378 -18.383  -0.605
 1322    HA   LYS  26           HA       LYS  26   8.809 -16.239  -2.501
 1323    HB2  LYS  26           HB2      LYS  26   6.380 -17.989  -2.136
 1324    HB3  LYS  26           HB3      LYS  26   6.799 -17.042  -3.558
 1325    HG2  LYS  26           HG2      LYS  26   8.474 -18.494  -4.192
 1326    HG3  LYS  26           HG3      LYS  26   8.644 -19.167  -2.568
 1327    HD2  LYS  26           HD2      LYS  26   7.543 -20.791  -3.912
 1328    HD3  LYS  26           HD3      LYS  26   6.367 -20.097  -2.793
 1329    HE2  LYS  26           HE2      LYS  26   5.494 -18.666  -4.553
 1330    HE3  LYS  26           HE3      LYS  26   6.709 -19.269  -5.679
 1331    HZ1  LYS  26           HZ1      LYS  26   4.523 -20.859  -4.443
 1332    HZ2  LYS  26           HZ2      LYS  26   5.717 -21.481  -5.476
 1333    HZ3  LYS  26           HZ3      LYS  26   4.600 -20.345  -6.059
 1334    H    PHE  27           H        PHE  27   7.684 -16.313   0.560
 1335    HA   PHE  27           HA       PHE  27   6.132 -13.855   0.118
 1336    HB2  PHE  27           HB2      PHE  27   4.915 -14.501   2.281
 1337    HB3  PHE  27           HB3      PHE  27   4.489 -15.403   0.832
 1338    HD1  PHE  27           HD2      PHE  27   6.748 -15.585   3.794
 1339    HD2  PHE  27           HD1      PHE  27   4.449 -17.698   0.902
 1340    HE1  PHE  27           HE2      PHE  27   7.213 -17.693   4.970
 1341    HE2  PHE  27           HE1      PHE  27   4.908 -19.810   2.076
 1342    HZ   PHE  27           HZ       PHE  27   6.293 -19.809   4.112
 1343    H    LYS  28           H        LYS  28   8.977 -14.863   0.920
 1344    HA   LYS  28           HA       LYS  28   9.205 -12.879   3.109
 1345    HB2  LYS  28           HB2      LYS  28   9.528 -15.309   3.808
 1346    HB3  LYS  28           HB3      LYS  28  11.003 -15.282   2.850
 1347    HG2  LYS  28           HG2      LYS  28  11.706 -14.851   5.028
 1348    HG3  LYS  28           HG3      LYS  28  11.679 -13.267   4.254
 1349    HD2  LYS  28           HD2      LYS  28  10.686 -13.018   6.406
 1350    HD3  LYS  28           HD3      LYS  28   9.380 -12.946   5.223
 1351    HE2  LYS  28           HE2      LYS  28   8.858 -15.293   5.648
 1352    HE3  LYS  28           HE3      LYS  28  10.171 -15.379   6.820
 1353    HZ1  LYS  28           HZ1      LYS  28   8.934 -13.486   7.983
 1354    HZ2  LYS  28           HZ2      LYS  28   8.290 -15.046   8.107
 1355    HZ3  LYS  28           HZ3      LYS  28   7.604 -13.937   7.026
 1356    H    LEU  29           H        LEU  29  10.383 -11.174   2.529
 1357    HA   LEU  29           HA       LEU  29  12.399 -11.575   0.421
 1358    HB2  LEU  29           HB2      LEU  29  10.852  -9.087   1.124
 1359    HB3  LEU  29           HB3      LEU  29  12.179  -9.130  -0.018
 1360    HG   LEU  29           HG       LEU  29  10.666 -10.997  -1.146
 1361   HD11  LEU  29          HD11      LEU  29   8.711  -9.252   0.326
 1362   HD12  LEU  29          HD12      LEU  29   8.296 -10.346  -0.994
 1363   HD13  LEU  29          HD13      LEU  29   8.932 -10.990   0.520
 1364   HD21  LEU  29          HD21      LEU  29  11.462  -8.972  -2.226
 1365   HD22  LEU  29          HD22      LEU  29   9.762  -9.254  -2.602
 1366   HD23  LEU  29          HD23      LEU  29  10.210  -8.030  -1.413
 1367    H    ASN  30           H        ASN  30  14.334 -11.769   1.330
 1368    HA   ASN  30           HA       ASN  30  15.181 -10.064   3.494
 1369    HB2  ASN  30           HB2      ASN  30  17.478 -11.013   2.899
 1370    HB3  ASN  30           HB3      ASN  30  16.266 -12.178   3.422
 1371   HD21  ASN  30          HD21      ASN  30  18.199 -11.046   0.794
 1372   HD22  ASN  30          HD22      ASN  30  17.799 -12.306  -0.316
 1373    H    LYS  31           H        LYS  31  17.551  -8.986   2.846
 1374    HA   LYS  31           HA       LYS  31  16.839  -6.588   1.690
 1375    HB2  LYS  31           HB2      LYS  31  19.604  -7.811   1.756
 1376    HB3  LYS  31           HB3      LYS  31  19.254  -6.113   1.472
 1377    HG2  LYS  31           HG2      LYS  31  18.304  -5.930   3.711
 1378    HG3  LYS  31           HG3      LYS  31  18.643  -7.639   3.995
 1379    HD2  LYS  31           HD2      LYS  31  20.677  -5.472   3.452
 1380    HD3  LYS  31           HD3      LYS  31  20.371  -6.259   5.004
 1381    HE2  LYS  31           HE2      LYS  31  21.065  -8.403   4.052
 1382    HE3  LYS  31           HE3      LYS  31  21.361  -7.622   2.500
 1383    HZ1  LYS  31           HZ1      LYS  31  23.041  -6.231   3.605
 1384    HZ2  LYS  31           HZ2      LYS  31  23.415  -7.884   3.672
 1385    HZ3  LYS  31           HZ3      LYS  31  22.800  -7.100   5.046
 1386    H    SER  32           H        SER  32  18.674  -9.200   0.132
 1387    HA   SER  32           HA       SER  32  19.098  -7.916  -2.310
 1388    HB2  SER  32           HB2      SER  32  18.938 -10.889  -1.790
 1389    HB3  SER  32           HB3      SER  32  19.811 -10.088  -3.100
 1390    HG   SER  32           HG       SER  32  21.121  -9.076  -1.501
 1391    H    GLU  33           H        GLU  33  16.297  -9.635  -1.147
 1392    HA   GLU  33           HA       GLU  33  15.227 -10.211  -3.750
 1393    HB2  GLU  33           HB2      GLU  33  13.567 -10.053  -1.250
 1394    HB3  GLU  33           HB3      GLU  33  13.360 -11.102  -2.645
 1395    HG2  GLU  33           HG2      GLU  33  15.462 -11.322  -0.510
 1396    HG3  GLU  33           HG3      GLU  33  14.087 -12.389  -0.761
 1397    H    LEU  34           H        LEU  34  14.469  -7.917  -1.158
 1398    HA   LEU  34           HA       LEU  34  12.576  -6.387  -2.571
 1399    HB2  LEU  34           HB2      LEU  34  14.354  -5.881  -0.219
 1400    HB3  LEU  34           HB3      LEU  34  13.479  -4.545  -0.939
 1401    HG   LEU  34           HG       LEU  34  12.118  -7.041   0.053
 1402   HD11  LEU  34          HD11      LEU  34  11.513  -5.701   2.017
 1403   HD12  LEU  34          HD12      LEU  34  13.254  -5.956   1.910
 1404   HD13  LEU  34          HD13      LEU  34  12.562  -4.402   1.445
 1405   HD21  LEU  34          HD21      LEU  34  10.133  -5.647  -0.053
 1406   HD22  LEU  34          HD22      LEU  34  11.101  -4.274  -0.605
 1407   HD23  LEU  34          HD23      LEU  34  10.923  -5.701  -1.630
 1408    H    LYS  35           H        LYS  35  16.059  -6.206  -2.305
 1409    HA   LYS  35           HA       LYS  35  16.637  -3.851  -3.568
 1410    HB2  LYS  35           HB2      LYS  35  18.309  -5.329  -2.560
 1411    HB3  LYS  35           HB3      LYS  35  18.066  -6.498  -3.850
 1412    HG2  LYS  35           HG2      LYS  35  18.914  -4.916  -5.477
 1413    HG3  LYS  35           HG3      LYS  35  19.121  -3.703  -4.202
 1414    HD2  LYS  35           HD2      LYS  35  20.687  -5.207  -3.050
 1415    HD3  LYS  35           HD3      LYS  35  20.516  -6.375  -4.365
 1416    HE2  LYS  35           HE2      LYS  35  22.488  -5.202  -4.846
 1417    HE3  LYS  35           HE3      LYS  35  21.265  -4.495  -5.900
 1418    HZ1  LYS  35           HZ1      LYS  35  21.072  -2.622  -4.498
 1419    HZ2  LYS  35           HZ2      LYS  35  22.733  -2.869  -4.736
 1420    HZ3  LYS  35           HZ3      LYS  35  22.009  -3.339  -3.274
 1421    H    GLU  36           H        GLU  36  16.443  -7.018  -5.178
 1422    HA   GLU  36           HA       GLU  36  16.640  -5.959  -7.773
 1423    HB2  GLU  36           HB2      GLU  36  16.938  -8.387  -6.919
 1424    HB3  GLU  36           HB3      GLU  36  15.200  -8.503  -7.154
 1425    HG2  GLU  36           HG2      GLU  36  15.417  -7.996  -9.474
 1426    HG3  GLU  36           HG3      GLU  36  17.138  -7.683  -9.295
 1427    H    LEU  37           H        LEU  37  13.899  -6.749  -5.727
 1428    HA   LEU  37           HA       LEU  37  11.780  -6.434  -7.477
 1429    HB2  LEU  37           HB2      LEU  37  11.777  -7.110  -5.019
 1430    HB3  LEU  37           HB3      LEU  37  11.817  -5.390  -4.658
 1431    HG   LEU  37           HG       LEU  37   9.655  -6.119  -6.481
 1432   HD11  LEU  37          HD11      LEU  37   9.674  -7.231  -3.678
 1433   HD12  LEU  37          HD12      LEU  37   8.290  -7.209  -4.773
 1434   HD13  LEU  37          HD13      LEU  37   9.713  -8.174  -5.168
 1435   HD21  LEU  37          HD21      LEU  37   9.866  -3.936  -5.399
 1436   HD22  LEU  37          HD22      LEU  37   8.376  -4.746  -4.915
 1437   HD23  LEU  37          HD23      LEU  37   9.755  -4.705  -3.816
 1438    H    LEU  38           H        LEU  38  13.206  -3.926  -5.383
 1439    HA   LEU  38           HA       LEU  38  11.712  -1.815  -6.527
 1440    HB2  LEU  38           HB2      LEU  38  14.091  -1.942  -4.727
 1441    HB3  LEU  38           HB3      LEU  38  13.606  -0.405  -5.423
 1442    HG   LEU  38           HG       LEU  38  11.250  -1.477  -4.361
 1443   HD11  LEU  38          HD11      LEU  38  11.818  -1.931  -2.031
 1444   HD12  LEU  38          HD12      LEU  38  12.503  -3.133  -3.127
 1445   HD13  LEU  38          HD13      LEU  38  13.533  -1.875  -2.444
 1446   HD21  LEU  38          HD21      LEU  38  13.145   0.560  -3.190
 1447   HD22  LEU  38          HD22      LEU  38  11.902   0.873  -4.403
 1448   HD23  LEU  38          HD23      LEU  38  11.442   0.373  -2.776
 1449    H    THR  39           H        THR  39  14.963  -3.083  -7.243
 1450    HA   THR  39           HA       THR  39  15.768  -0.975  -8.920
 1451    HB   THR  39           HB       THR  39  17.381  -2.525  -9.925
 1452    HG1  THR  39           HG1      THR  39  15.637  -4.414  -8.873
 1453   HG21  THR  39          HG21      THR  39  18.582  -3.137  -7.907
 1454   HG22  THR  39          HG22      THR  39  17.116  -2.922  -6.954
 1455   HG23  THR  39          HG23      THR  39  17.869  -1.531  -7.740
 1456    H    ARG  40           H        ARG  40  13.587  -3.599  -9.469
 1457    HA   ARG  40           HA       ARG  40  13.754  -3.350 -12.356
 1458    HB2  ARG  40           HB2      ARG  40  12.215  -5.185 -10.532
 1459    HB3  ARG  40           HB3      ARG  40  12.015  -5.193 -12.281
 1460    HG2  ARG  40           HG2      ARG  40  14.586  -5.724 -10.804
 1461    HG3  ARG  40           HG3      ARG  40  13.533  -6.948 -11.517
 1462    HD2  ARG  40           HD2      ARG  40  14.892  -4.727 -13.037
 1463    HD3  ARG  40           HD3      ARG  40  15.476  -6.387 -12.937
 1464    HE   ARG  40           HE       ARG  40  13.031  -6.794 -13.887
 1465   HH11  ARG  40          HH12      ARG  40  15.393  -4.383 -14.816
 1466   HH12  ARG  40          HH11      ARG  40  14.889  -4.350 -16.479
 1467   HH21  ARG  40          HH22      ARG  40  12.354  -6.750 -16.054
 1468   HH22  ARG  40          HH21      ARG  40  13.165  -5.709 -17.188
 1469    H    GLU  41           H        GLU  41  11.073  -3.292  -9.979
 1470    HA   GLU  41           HA       GLU  41   9.535  -1.828 -11.993
 1471    HB2  GLU  41           HB2      GLU  41   8.801  -3.712  -9.823
 1472    HB3  GLU  41           HB3      GLU  41   7.631  -2.472 -10.262
 1473    HG2  GLU  41           HG2      GLU  41   7.052  -3.551 -12.114
 1474    HG3  GLU  41           HG3      GLU  41   8.736  -3.722 -12.609
 1475    H    LEU  42           H        LEU  42  11.179  -1.163  -9.090
 1476    HA   LEU  42           HA       LEU  42   9.565   1.309  -8.852
 1477    HB2  LEU  42           HB2      LEU  42  11.014  -0.092  -6.604
 1478    HB3  LEU  42           HB3      LEU  42  10.099   1.392  -6.472
 1479    HG   LEU  42           HG       LEU  42   8.088  -0.049  -7.259
 1480   HD11  LEU  42          HD11      LEU  42   9.283  -2.027  -7.899
 1481   HD12  LEU  42          HD12      LEU  42  10.002  -2.157  -6.292
 1482   HD13  LEU  42          HD13      LEU  42   8.266  -2.390  -6.504
 1483   HD21  LEU  42          HD21      LEU  42   8.261   0.952  -5.059
 1484   HD22  LEU  42          HD22      LEU  42   7.647  -0.697  -4.926
 1485   HD23  LEU  42          HD23      LEU  42   9.329  -0.350  -4.528
 1486    HA   PRO  43           HA       PRO  43  14.314   1.979  -9.166
 1487    HB2  PRO  43           HB2      PRO  43  14.114   2.925 -11.888
 1488    HB3  PRO  43           HB3      PRO  43  15.094   1.606 -11.257
 1489    HG2  PRO  43           HG2      PRO  43  12.960   1.229 -12.915
 1490    HG3  PRO  43           HG3      PRO  43  13.509   0.026 -11.735
 1491    HD2  PRO  43           HD2      PRO  43  11.221   1.943 -11.568
 1492    HD3  PRO  43           HD3      PRO  43  11.325   0.260 -11.013
 1493    H    SER  44           H        SER  44  11.566   3.689 -10.381
 1494    HA   SER  44           HA       SER  44  12.589   6.312 -10.362
 1495    HB2  SER  44           HB2      SER  44   9.741   5.480  -9.783
 1496    HB3  SER  44           HB3      SER  44  10.298   6.988 -10.512
 1497    HG   SER  44           HG       SER  44   9.514   4.913 -11.816
 1498    H    PHE  45           H        PHE  45  11.098   4.262  -7.940
 1499    HA   PHE  45           HA       PHE  45  10.935   6.293  -5.924
 1500    HB2  PHE  45           HB2      PHE  45  10.629   3.298  -5.645
 1501    HB3  PHE  45           HB3      PHE  45  10.117   4.519  -4.489
 1502    HD1  PHE  45           HD1      PHE  45   8.227   6.013  -5.047
 1503    HD2  PHE  45           HD2      PHE  45   9.299   2.698  -7.477
 1504    HE1  PHE  45           HE1      PHE  45   5.999   6.055  -6.078
 1505    HE2  PHE  45           HE2      PHE  45   7.079   2.734  -8.524
 1506    HZ   PHE  45           HZ       PHE  45   5.423   4.407  -7.825
 1507    H    LEU  46           H        LEU  46  13.647   5.058  -7.109
 1508    HA   LEU  46           HA       LEU  46  14.793   4.517  -4.488
 1509    HB2  LEU  46           HB2      LEU  46  16.342   4.616  -7.089
 1510    HB3  LEU  46           HB3      LEU  46  16.810   3.882  -5.572
 1511    HG   LEU  46           HG       LEU  46  14.673   2.909  -7.461
 1512   HD11  LEU  46          HD11      LEU  46  17.256   1.693  -6.500
 1513   HD12  LEU  46          HD12      LEU  46  16.059   0.876  -7.507
 1514   HD13  LEU  46          HD13      LEU  46  16.911   2.294  -8.121
 1515   HD21  LEU  46          HD21      LEU  46  14.414   1.038  -5.797
 1516   HD22  LEU  46          HD22      LEU  46  15.318   2.031  -4.658
 1517   HD23  LEU  46          HD23      LEU  46  13.767   2.595  -5.279
 1518    H    GLY  47           H        GLY  47  14.210   7.050  -6.590
 1519    HA2  GLY  47           HA2      GLY  47  14.523   9.301  -6.469
 1520    HA3  GLY  47           HA3      GLY  47  14.936   9.048  -4.790
 1521    H    LYS  48           H        LYS  48  17.311   7.515  -5.268
 1522    HA   LYS  48           HA       LYS  48  18.982   9.198  -6.942
 1523    HB2  LYS  48           HB2      LYS  48  20.680   9.426  -5.128
 1524    HB3  LYS  48           HB3      LYS  48  19.198  10.333  -4.858
 1525    HG2  LYS  48           HG2      LYS  48  18.423   8.461  -3.397
 1526    HG3  LYS  48           HG3      LYS  48  20.033   7.766  -3.569
 1527    HD2  LYS  48           HD2      LYS  48  19.945   9.008  -1.511
 1528    HD3  LYS  48           HD3      LYS  48  20.983   9.870  -2.649
 1529    HE2  LYS  48           HE2      LYS  48  19.516  11.424  -1.489
 1530    HE3  LYS  48           HE3      LYS  48  19.120  11.364  -3.206
 1531    HZ1  LYS  48           HZ1      LYS  48  17.109  11.335  -1.924
 1532    HZ2  LYS  48           HZ2      LYS  48  17.649  10.020  -0.997
 1533    HZ3  LYS  48           HZ3      LYS  48  17.306   9.816  -2.641
 1534    H    ARG  49           H        ARG  49  19.122   6.485  -4.618
 1535    HA   ARG  49           HA       ARG  49  19.612   4.488  -6.439
 1536    HB2  ARG  49           HB2      ARG  49  21.696   5.622  -7.034
 1537    HB3  ARG  49           HB3      ARG  49  22.204   5.604  -5.351
 1538    HG2  ARG  49           HG2      ARG  49  23.273   3.854  -6.734
 1539    HG3  ARG  49           HG3      ARG  49  22.367   3.213  -5.360
 1540    HD2  ARG  49           HD2      ARG  49  21.841   1.850  -7.238
 1541    HD3  ARG  49           HD3      ARG  49  20.431   2.869  -6.914
 1542    HE   ARG  49           HE       ARG  49  21.370   4.340  -8.751
 1543   HH11  ARG  49          HH12      ARG  49  21.966   0.883  -8.677
 1544   HH12  ARG  49          HH11      ARG  49  22.027   0.747 -10.411
 1545   HH21  ARG  49          HH22      ARG  49  21.460   4.150 -10.999
 1546   HH22  ARG  49          HH21      ARG  49  21.735   2.594 -11.727
 1547    H    THR  50           H        THR  50  19.271   2.635  -5.407
 1548    HA   THR  50           HA       THR  50  19.555   2.408  -2.552
 1549    HB   THR  50           HB       THR  50  18.912  -0.024  -3.109
 1550    HG1  THR  50           HG1      THR  50  19.020  -0.357  -5.218
 1551   HG21  THR  50          HG21      THR  50  16.545   0.592  -3.390
 1552   HG22  THR  50          HG22      THR  50  17.036   2.248  -3.756
 1553   HG23  THR  50          HG23      THR  50  17.343   1.567  -2.159
 1554    H    ASP  51           H        ASP  51  21.678   2.377  -1.912
 1555    HA   ASP  51           HA       ASP  51  23.581   0.643  -3.284
 1556    HB2  ASP  51           HB2      ASP  51  24.204   2.951  -2.433
 1557    HB3  ASP  51           HB3      ASP  51  24.041   2.304  -0.806
 1558    H    GLU  52           H        GLU  52  25.054  -0.638  -1.678
 1559    HA   GLU  52           HA       GLU  52  23.296  -2.513  -0.369
 1560    HB2  GLU  52           HB2      GLU  52  26.253  -2.491  -0.923
 1561    HB3  GLU  52           HB3      GLU  52  25.503  -3.731   0.072
 1562    HG2  GLU  52           HG2      GLU  52  24.815  -3.109  -2.790
 1563    HG3  GLU  52           HG3      GLU  52  25.767  -4.482  -2.222
 1564    H    ALA  53           H        ALA  53  25.789  -0.195   0.576
 1565    HA   ALA  53           HA       ALA  53  25.652  -0.843   3.367
 1566    HB1  ALA  53           HB1      ALA  53  26.644   1.653   1.988
 1567    HB2  ALA  53           HB2      ALA  53  26.860   1.279   3.698
 1568    HB3  ALA  53           HB3      ALA  53  27.621   0.265   2.470
 1569    H    ALA  54           H        ALA  54  23.692   0.791   1.182
 1570    HA   ALA  54           HA       ALA  54  22.285   2.372   3.167
 1571    HB1  ALA  54           HB1      ALA  54  20.913   3.107   1.331
 1572    HB2  ALA  54           HB2      ALA  54  22.609   3.195   0.846
 1573    HB3  ALA  54           HB3      ALA  54  21.596   1.864   0.271
 1574    H    PHE  55           H        PHE  55  21.965  -0.594   1.361
 1575    HA   PHE  55           HA       PHE  55  19.251  -1.085   1.895
 1576    HB2  PHE  55           HB2      PHE  55  21.375  -2.421   0.533
 1577    HB3  PHE  55           HB3      PHE  55  20.539  -3.579   1.570
 1578    HD1  PHE  55           HD2      PHE  55  18.104  -3.893   1.345
 1579    HD2  PHE  55           HD1      PHE  55  20.345  -1.553  -1.412
 1580    HE1  PHE  55           HE2      PHE  55  16.236  -3.993  -0.251
 1581    HE2  PHE  55           HE1      PHE  55  18.479  -1.642  -3.007
 1582    HZ   PHE  55           HZ       PHE  55  16.426  -2.861  -2.425
 1583    H    GLN  56           H        GLN  56  22.100  -1.676   3.824
 1584    HA   GLN  56           HA       GLN  56  20.922  -3.492   5.644
 1585    HB2  GLN  56           HB2      GLN  56  22.699  -2.870   7.186
 1586    HB3  GLN  56           HB3      GLN  56  23.355  -3.060   5.567
 1587    HG2  GLN  56           HG2      GLN  56  23.349  -0.635   5.281
 1588    HG3  GLN  56           HG3      GLN  56  22.702  -0.449   6.910
 1589   HE21  GLN  56          HE21      GLN  56  25.166   0.563   5.778
 1590   HE22  GLN  56          HE22      GLN  56  26.450  -0.059   6.763
 1591    H    LYS  57           H        LYS  57  20.821  -0.036   5.276
 1592    HA   LYS  57           HA       LYS  57  19.347   0.446   7.707
 1593    HB2  LYS  57           HB2      LYS  57  19.792   2.207   5.284
 1594    HB3  LYS  57           HB3      LYS  57  19.112   2.733   6.817
 1595    HG2  LYS  57           HG2      LYS  57  21.176   2.420   7.939
 1596    HG3  LYS  57           HG3      LYS  57  21.874   1.578   6.554
 1597    HD2  LYS  57           HD2      LYS  57  21.840   3.593   5.242
 1598    HD3  LYS  57           HD3      LYS  57  20.960   4.464   6.509
 1599    HE2  LYS  57           HE2      LYS  57  23.744   3.298   6.780
 1600    HE3  LYS  57           HE3      LYS  57  23.380   4.993   6.455
 1601    HZ1  LYS  57           HZ1      LYS  57  22.481   3.515   8.874
 1602    HZ2  LYS  57           HZ2      LYS  57  22.274   5.170   8.566
 1603    HZ3  LYS  57           HZ3      LYS  57  23.829   4.543   8.818
 1604    H    LEU  58           H        LEU  58  18.705   0.072   4.274
 1605    HA   LEU  58           HA       LEU  58  16.027   0.879   4.250
 1606    HB2  LEU  58           HB2      LEU  58  17.405   0.582   2.222
 1607    HB3  LEU  58           HB3      LEU  58  17.353  -1.157   2.460
 1608    HG   LEU  58           HG       LEU  58  14.900  -1.110   2.190
 1609   HD11  LEU  58          HD11      LEU  58  13.743   0.842   1.581
 1610   HD12  LEU  58          HD12      LEU  58  14.715   1.273   2.985
 1611   HD13  LEU  58          HD13      LEU  58  15.233   1.759   1.364
 1612   HD21  LEU  58          HD21      LEU  58  16.420  -1.444   0.242
 1613   HD22  LEU  58          HD22      LEU  58  14.840  -0.763  -0.161
 1614   HD23  LEU  58          HD23      LEU  58  16.262   0.280  -0.102
 1615    H    MET  59           H        MET  59  17.276  -2.455   4.178
 1616    HA   MET  59           HA       MET  59  14.889  -3.789   4.586
 1617    HB2  MET  59           HB2      MET  59  16.732  -5.120   4.042
 1618    HB3  MET  59           HB3      MET  59  17.726  -4.432   5.316
 1619    HG2  MET  59           HG2      MET  59  17.083  -6.731   5.796
 1620    HG3  MET  59           HG3      MET  59  16.453  -5.608   6.996
 1621    HE1  MET  59           HE1      MET  59  14.815  -6.136   3.361
 1622    HE2  MET  59           HE2      MET  59  15.710  -7.601   3.791
 1623    HE3  MET  59           HE3      MET  59  13.944  -7.637   3.709
 1624    H    SER  60           H        SER  60  17.046  -2.360   6.977
 1625    HA   SER  60           HA       SER  60  15.720  -3.428   9.232
 1626    HB2  SER  60           HB2      SER  60  18.049  -2.607   9.252
 1627    HB3  SER  60           HB3      SER  60  17.459  -0.961   9.035
 1628    HG   SER  60           HG       SER  60  16.150  -1.574  11.046
 1629    H    ASN  61           H        ASN  61  14.956  -0.830   7.109
 1630    HA   ASN  61           HA       ASN  61  13.134   0.388   9.032
 1631    HB2  ASN  61           HB2      ASN  61  14.088   1.215   6.318
 1632    HB3  ASN  61           HB3      ASN  61  12.678   1.964   7.067
 1633   HD21  ASN  61          HD21      ASN  61  15.248   3.150   6.411
 1634   HD22  ASN  61          HD22      ASN  61  15.890   3.759   7.893
 1635    H    LEU  62           H        LEU  62  13.153  -2.024   6.708
 1636    HA   LEU  62           HA       LEU  62  10.207  -1.994   6.639
 1637    HB2  LEU  62           HB2      LEU  62  12.218  -3.243   4.782
 1638    HB3  LEU  62           HB3      LEU  62  10.553  -3.777   4.829
 1639    HG   LEU  62           HG       LEU  62  10.630  -2.323   3.036
 1640   HD11  LEU  62          HD11      LEU  62   8.742  -1.844   4.482
 1641   HD12  LEU  62          HD12      LEU  62   9.719  -0.662   5.374
 1642   HD13  LEU  62          HD13      LEU  62   9.308  -0.377   3.680
 1643   HD21  LEU  62          HD21      LEU  62  12.212  -0.410   4.719
 1644   HD22  LEU  62          HD22      LEU  62  12.826  -1.423   3.408
 1645   HD23  LEU  62          HD23      LEU  62  11.676  -0.131   3.059
 1646    H    ASP  63           H        ASP  63  12.084  -2.921   8.774
 1647    HA   ASP  63           HA       ASP  63  10.727  -5.427   9.229
 1648    HB2  ASP  63           HB2      ASP  63  12.791  -6.037   7.942
 1649    HB3  ASP  63           HB3      ASP  63  13.752  -5.354   9.245
 1650    H    SER  64           H        SER  64   9.798  -4.739  11.040
 1651    HA   SER  64           HA       SER  64  11.207  -3.096  12.930
 1652    HB2  SER  64           HB2      SER  64   8.455  -4.343  13.005
 1653    HB3  SER  64           HB3      SER  64   9.074  -3.213  14.212
 1654    HG   SER  64           HG       SER  64   7.892  -2.639  11.926
 1655    H    ASN  65           H        ASN  65  11.260  -6.361  12.370
 1656    HA   ASN  65           HA       ASN  65  11.887  -6.949  15.191
 1657    HB2  ASN  65           HB2      ASN  65  11.114  -8.706  12.873
 1658    HB3  ASN  65           HB3      ASN  65  11.948  -9.376  14.272
 1659   HD21  ASN  65          HD21      ASN  65  10.881  -9.561  16.202
 1660   HD22  ASN  65          HD22      ASN  65   9.175  -9.333  16.361
 1661    H    ARG  66           H        ARG  66  13.144  -6.491  12.084
 1662    HA   ARG  66           HA       ARG  66  15.187  -6.454  11.172
 1663    HB2  ARG  66           HB2      ARG  66  16.080  -6.307  14.047
 1664    HB3  ARG  66           HB3      ARG  66  17.134  -6.049  12.661
 1665    HG2  ARG  66           HG2      ARG  66  15.569  -4.214  11.952
 1666    HG3  ARG  66           HG3      ARG  66  14.780  -4.392  13.519
 1667    HD2  ARG  66           HD2      ARG  66  17.681  -3.718  13.057
 1668    HD3  ARG  66           HD3      ARG  66  16.421  -2.586  13.542
 1669    HE   ARG  66           HE       ARG  66  16.241  -4.259  15.541
 1670   HH11  ARG  66          HH12      ARG  66  19.154  -3.206  13.908
 1671   HH12  ARG  66          HH11      ARG  66  20.142  -3.274  15.339
 1672   HH21  ARG  66          HH22      ARG  66  17.536  -4.371  17.425
 1673   HH22  ARG  66          HH21      ARG  66  19.225  -3.969  17.337
 1674    H    ASP  67           H        ASP  67  14.441  -8.705  10.653
 1675    HA   ASP  67           HA       ASP  67  16.581 -10.571  11.479
 1676    HB2  ASP  67           HB2      ASP  67  13.773 -11.125  10.492
 1677    HB3  ASP  67           HB3      ASP  67  15.026 -12.363  10.550
 1678    H    ASN  68           H        ASN  68  15.869  -8.399   9.302
 1679    HA   ASN  68           HA       ASN  68  16.427  -7.914   7.176
 1680    HB2  ASN  68           HB2      ASN  68  18.226 -10.316   7.514
 1681    HB3  ASN  68           HB3      ASN  68  18.233  -9.289   6.085
 1682   HD21  ASN  68          HD21      ASN  68  20.371  -9.792   7.902
 1683   HD22  ASN  68          HD22      ASN  68  20.820  -8.267   8.598
 1684    H    GLU  69           H        GLU  69  14.099  -9.354   7.638
 1685    HA   GLU  69           HA       GLU  69  13.700 -10.358   4.972
 1686    HB2  GLU  69           HB2      GLU  69  12.615 -12.482   5.767
 1687    HB3  GLU  69           HB3      GLU  69  14.361 -12.436   5.958
 1688    HG2  GLU  69           HG2      GLU  69  14.111 -11.953   8.324
 1689    HG3  GLU  69           HG3      GLU  69  12.357 -11.925   8.145
 1690    H    VAL  70           H        VAL  70  12.068  -9.236   4.356
 1691    HA   VAL  70           HA       VAL  70  10.208  -8.074   6.189
 1692    HB   VAL  70           HB       VAL  70  10.559  -7.930   3.204
 1693   HG11  VAL  70          HG11      VAL  70   8.142  -7.875   3.659
 1694   HG12  VAL  70          HG12      VAL  70   8.404  -6.567   4.811
 1695   HG13  VAL  70          HG13      VAL  70   8.750  -6.319   3.100
 1696   HG21  VAL  70          HG21      VAL  70  10.951  -5.566   3.756
 1697   HG22  VAL  70          HG22      VAL  70  10.778  -5.974   5.465
 1698   HG23  VAL  70          HG23      VAL  70  12.103  -6.664   4.521
 1699    H    ASP  71           H        ASP  71   8.353  -8.817   6.822
 1700    HA   ASP  71           HA       ASP  71   7.205 -11.197   5.606
 1701    HB2  ASP  71           HB2      ASP  71   7.396 -11.011   8.078
 1702    HB3  ASP  71           HB3      ASP  71   6.318  -9.618   8.041
 1703    H    PHE  72           H        PHE  72   4.637 -11.089   5.601
 1704    HA   PHE  72           HA       PHE  72   4.120  -9.698   3.262
 1705    HB2  PHE  72           HB2      PHE  72   2.933 -11.745   4.290
 1706    HB3  PHE  72           HB3      PHE  72   1.911 -10.561   5.098
 1707    HD1  PHE  72           HD2      PHE  72   2.809  -9.075   2.107
 1708    HD2  PHE  72           HD1      PHE  72   0.353 -12.197   3.633
 1709    HE1  PHE  72           HE2      PHE  72   1.414  -8.947   0.092
 1710    HE2  PHE  72           HE1      PHE  72  -1.046 -12.076   1.619
 1711    HZ   PHE  72           HZ       PHE  72  -0.519 -10.454  -0.154
 1712    H    GLN  73           H        GLN  73   2.791  -8.891   6.531
 1713    HA   GLN  73           HA       GLN  73   1.474  -6.578   5.571
 1714    HB2  GLN  73           HB2      GLN  73   0.842  -7.612   7.711
 1715    HB3  GLN  73           HB3      GLN  73   2.377  -7.139   8.405
 1716    HG2  GLN  73           HG2      GLN  73   1.811  -4.792   8.082
 1717    HG3  GLN  73           HG3      GLN  73   0.240  -5.279   7.445
 1718   HE21  GLN  73          HE21      GLN  73   1.159  -3.763   9.870
 1719   HE22  GLN  73          HE22      GLN  73   0.338  -4.528  11.193
 1720    H    GLU  74           H        GLU  74   4.764  -7.105   6.745
 1721    HA   GLU  74           HA       GLU  74   5.405  -4.341   6.972
 1722    HB2  GLU  74           HB2      GLU  74   6.596  -6.439   7.978
 1723    HB3  GLU  74           HB3      GLU  74   7.448  -6.466   6.440
 1724    HG2  GLU  74           HG2      GLU  74   8.881  -5.232   7.714
 1725    HG3  GLU  74           HG3      GLU  74   7.911  -3.952   6.981
 1726    H    TYR  75           H        TYR  75   5.465  -6.740   4.452
 1727    HA   TYR  75           HA       TYR  75   6.934  -5.280   2.524
 1728    HB2  TYR  75           HB2      TYR  75   6.554  -7.697   2.324
 1729    HB3  TYR  75           HB3      TYR  75   4.821  -7.431   2.170
 1730    HD1  TYR  75           HD2      TYR  75   3.975  -6.208   0.113
 1731    HD2  TYR  75           HD1      TYR  75   7.960  -7.653   0.454
 1732    HE1  TYR  75           HE2      TYR  75   4.222  -6.042  -2.327
 1733    HE2  TYR  75           HE1      TYR  75   8.223  -7.494  -1.996
 1734    HH   TYR  75           HH       TYR  75   6.025  -5.835  -3.980
 1735    H    CYS  76           H        CYS  76   3.566  -5.324   3.486
 1736    HA   CYS  76           HA       CYS  76   2.811  -3.762   1.184
 1737    HB2  CYS  76           HB2      CYS  76   1.101  -4.563   3.544
 1738    HB3  CYS  76           HB3      CYS  76   0.533  -3.996   1.971
 1739    HG   CYS  76           HG       CYS  76   2.176  -6.955   2.537
 1740    H    VAL  77           H        VAL  77   3.118  -3.249   4.704
 1741    HA   VAL  77           HA       VAL  77   2.323  -0.541   4.666
 1742    HB   VAL  77           HB       VAL  77   2.635  -1.680   6.801
 1743   HG11  VAL  77          HG11      VAL  77   5.452  -1.919   5.835
 1744   HG12  VAL  77          HG12      VAL  77   5.032  -2.062   7.553
 1745   HG13  VAL  77          HG13      VAL  77   4.344  -3.184   6.378
 1746   HG21  VAL  77          HG21      VAL  77   2.931   0.767   6.817
 1747   HG22  VAL  77          HG22      VAL  77   3.948  -0.017   8.028
 1748   HG23  VAL  77          HG23      VAL  77   4.660   0.554   6.519
 1749    H    PHE  78           H        PHE  78   5.388  -2.153   4.013
 1750    HA   PHE  78           HA       PHE  78   7.084  -0.109   3.389
 1751    HB2  PHE  78           HB2      PHE  78   7.911  -2.276   3.057
 1752    HB3  PHE  78           HB3      PHE  78   6.525  -2.761   2.090
 1753    HD1  PHE  78           HD1      PHE  78   9.681  -0.902   2.091
 1754    HD2  PHE  78           HD2      PHE  78   6.470  -2.416  -0.261
 1755    HE1  PHE  78           HE1      PHE  78  10.978  -0.468   0.036
 1756    HE2  PHE  78           HE2      PHE  78   7.748  -1.984  -2.316
 1757    HZ   PHE  78           HZ       PHE  78  10.013  -1.011  -2.168
 1758    H    LEU  79           H        LEU  79   4.555  -1.469   1.353
 1759    HA   LEU  79           HA       LEU  79   4.949   0.189  -0.840
 1760    HB2  LEU  79           HB2      LEU  79   2.748  -1.556   0.109
 1761    HB3  LEU  79           HB3      LEU  79   2.404  -0.429  -1.188
 1762    HG   LEU  79           HG       LEU  79   4.822  -1.854  -1.785
 1763   HD11  LEU  79          HD11      LEU  79   2.405  -3.535  -1.148
 1764   HD12  LEU  79          HD12      LEU  79   3.818  -4.086  -2.049
 1765   HD13  LEU  79          HD13      LEU  79   3.983  -3.612  -0.361
 1766   HD21  LEU  79          HD21      LEU  79   3.021  -0.638  -3.179
 1767   HD22  LEU  79          HD22      LEU  79   3.803  -2.097  -3.844
 1768   HD23  LEU  79          HD23      LEU  79   2.179  -2.195  -3.130
 1769    H    SER  80           H        SER  80   2.721   0.461   1.875
 1770    HA   SER  80           HA       SER  80   1.453   2.771   0.790
 1771    HB2  SER  80           HB2      SER  80   0.565   2.831   3.247
 1772    HB3  SER  80           HB3      SER  80   0.068   1.551   2.141
 1773    HG   SER  80           HG       SER  80   0.696   0.420   3.849
 1774    H    CYS  81           H        CYS  81   4.156   2.143   2.817
 1775    HA   CYS  81           HA       CYS  81   4.479   4.818   3.732
 1776    HB2  CYS  81           HB2      CYS  81   6.372   2.480   3.616
 1777    HB3  CYS  81           HB3      CYS  81   6.762   4.031   4.361
 1778    HG   CYS  81           HG       CYS  81   4.429   1.762   5.358
 1779    H    ILE  82           H        ILE  82   5.171   3.198   0.773
 1780    HA   ILE  82           HA       ILE  82   6.929   5.309  -0.130
 1781    HB   ILE  82           HB       ILE  82   5.493   3.159  -1.719
 1782   HG12  ILE  82          HG12      ILE  82   8.205   3.393  -0.480
 1783   HG13  ILE  82          HG13      ILE  82   7.133   1.998  -0.579
 1784   HG21  ILE  82          HG21      ILE  82   5.885   5.136  -3.089
 1785   HG22  ILE  82          HG22      ILE  82   7.581   5.159  -2.600
 1786   HG23  ILE  82          HG23      ILE  82   6.962   3.824  -3.575
 1787   HD11  ILE  82          HD11      ILE  82   8.804   3.164  -2.798
 1788   HD12  ILE  82          HD12      ILE  82   9.070   1.636  -1.953
 1789   HD13  ILE  82          HD13      ILE  82   7.654   1.827  -2.993
 1790    H    ALA  83           H        ALA  83   3.602   4.274  -0.754
 1791    HA   ALA  83           HA       ALA  83   2.814   6.371  -2.410
 1792    HB1  ALA  83           HB1      ALA  83   1.559   4.282  -2.036
 1793    HB2  ALA  83           HB2      ALA  83   1.101   4.878  -0.440
 1794    HB3  ALA  83           HB3      ALA  83   0.555   5.729  -1.886
 1795    H    MET  84           H        MET  84   2.317   6.028   1.095
 1796    HA   MET  84           HA       MET  84   1.147   8.557   1.476
 1797    HB2  MET  84           HB2      MET  84   0.868   6.755   3.041
 1798    HB3  MET  84           HB3      MET  84   2.589   6.756   3.386
 1799    HG2  MET  84           HG2      MET  84   2.363   9.030   4.317
 1800    HG3  MET  84           HG3      MET  84   0.617   8.924   4.051
 1801    HE1  MET  84           HE1      MET  84   2.137   5.648   4.536
 1802    HE2  MET  84           HE2      MET  84   3.457   6.528   5.348
 1803    HE3  MET  84           HE3      MET  84   2.418   5.414   6.284
 1804    H    MET  85           H        MET  85   4.439   7.463   1.388
 1805    HA   MET  85           HA       MET  85   5.588   9.831   2.456
 1806    HB2  MET  85           HB2      MET  85   6.619   7.546   2.338
 1807    HB3  MET  85           HB3      MET  85   6.910   7.876   0.624
 1808    HG2  MET  85           HG2      MET  85   7.831  10.124   1.959
 1809    HG3  MET  85           HG3      MET  85   8.371   8.759   2.930
 1810    HE1  MET  85           HE1      MET  85  10.382   6.827   1.744
 1811    HE2  MET  85           HE2      MET  85   8.619   6.648   1.555
 1812    HE3  MET  85           HE3      MET  85   9.703   6.465   0.145
 1813    H    CYS  86           H        CYS  86   4.375   8.840  -0.587
 1814    HA   CYS  86           HA       CYS  86   5.700  10.835  -2.177
 1815    HB2  CYS  86           HB2      CYS  86   5.080   8.714  -3.185
 1816    HB3  CYS  86           HB3      CYS  86   3.391   8.972  -2.767
 1817    HG   CYS  86           HG       CYS  86   5.222  10.577  -5.155
 1818    H    ASN  87           H        ASN  87   3.002  10.779  -0.129
 1819    HA   ASN  87           HA       ASN  87   0.951  12.087  -1.271
 1820    HB2  ASN  87           HB2      ASN  87   0.996  11.375   1.089
 1821    HB3  ASN  87           HB3      ASN  87   2.038  12.743   1.471
 1822   HD21  ASN  87          HD21      ASN  87   0.661  13.746   2.850
 1823   HD22  ASN  87          HD22      ASN  87  -0.844  14.450   2.354
 1824    H    GLU  88           H        GLU  88   3.495  13.922   0.452
 1825    HA   GLU  88           HA       GLU  88   2.517  16.417  -0.348
 1826    HB2  GLU  88           HB2      GLU  88   4.674  17.323   0.399
 1827    HB3  GLU  88           HB3      GLU  88   3.975  16.209   1.560
 1828    HG2  GLU  88           HG2      GLU  88   5.519  14.487   0.914
 1829    HG3  GLU  88           HG3      GLU  88   6.153  15.496  -0.388
 1830    H    PHE  89           H        PHE  89   4.764  14.244  -1.916
 1831    HA   PHE  89           HA       PHE  89   5.832  16.152  -3.732
 1832    HB2  PHE  89           HB2      PHE  89   5.748  13.131  -3.870
 1833    HB3  PHE  89           HB3      PHE  89   6.699  14.163  -4.941
 1834    HD1  PHE  89           HD2      PHE  89   8.525  15.573  -3.960
 1835    HD2  PHE  89           HD1      PHE  89   6.534  12.535  -1.745
 1836    HE1  PHE  89           HE2      PHE  89  10.375  15.549  -2.340
 1837    HE2  PHE  89           HE1      PHE  89   8.382  12.504  -0.119
 1838    HZ   PHE  89           HZ       PHE  89  10.307  14.012  -0.417
 1839    H    PHE  90           H        PHE  90   3.532  13.472  -4.255
 1840    HA   PHE  90           HA       PHE  90   3.080  14.310  -6.958
 1841    HB2  PHE  90           HB2      PHE  90   3.073  11.960  -6.411
 1842    HB3  PHE  90           HB3      PHE  90   1.750  12.175  -5.276
 1843    HD1  PHE  90           HD1      PHE  90  -0.521  12.838  -6.195
 1844    HD2  PHE  90           HD2      PHE  90   2.705  11.586  -8.680
 1845    HE1  PHE  90           HE1      PHE  90  -2.111  12.342  -8.008
 1846    HE2  PHE  90           HE2      PHE  90   1.119  11.097 -10.497
 1847    HZ   PHE  90           HZ       PHE  90  -1.291  11.474 -10.162
 1848    H    GLU  91           H        GLU  91   1.227  14.513  -3.949
 1849    HA   GLU  91           HA       GLU  91  -1.192  15.443  -5.047
 1850    HB2  GLU  91           HB2      GLU  91  -1.591  14.899  -2.921
 1851    HB3  GLU  91           HB3      GLU  91   0.047  15.257  -2.413
 1852    HG2  GLU  91           HG2      GLU  91  -1.485  16.664  -1.238
 1853    HG3  GLU  91           HG3      GLU  91  -0.541  17.648  -2.346
 1854    H    GLY  92           H        GLY  92   1.638  17.225  -3.841
 1855    HA2  GLY  92           HA2      GLY  92   2.222  19.217  -5.213
 1856    HA3  GLY  92           HA3      GLY  92   0.513  19.620  -5.163
 1857    H    PHE  93           H        PHE  93   2.532  18.438  -2.522
 1858    HA   PHE  93           HA       PHE  93   2.269  21.058  -1.231
 1859    HB2  PHE  93           HB2      PHE  93   1.942  18.335  -0.118
 1860    HB3  PHE  93           HB3      PHE  93   2.568  19.597   0.921
 1861    HD1  PHE  93           HD2      PHE  93   1.127  21.856   0.742
 1862    HD2  PHE  93           HD1      PHE  93  -0.299  17.924  -0.018
 1863    HE1  PHE  93           HE2      PHE  93  -1.171  22.602   1.218
 1864    HE2  PHE  93           HE1      PHE  93  -2.599  18.658   0.457
 1865    HZ   PHE  93           HZ       PHE  93  -3.037  21.001   1.078
 1866    HA   PRO  94           HA       PRO  94   6.777  20.198  -1.727
 1867    HB2  PRO  94           HB2      PRO  94   6.870  23.123  -2.000
 1868    HB3  PRO  94           HB3      PRO  94   7.513  21.880  -3.076
 1869    HG2  PRO  94           HG2      PRO  94   5.372  23.372  -3.740
 1870    HG3  PRO  94           HG3      PRO  94   5.539  21.680  -4.247
 1871    HD2  PRO  94           HD2      PRO  94   3.893  22.842  -2.029
 1872    HD3  PRO  94           HD3      PRO  94   3.489  21.548  -3.177
 1873    H    ASP  95           H        ASP  95   6.624  19.653   0.507
 1874    HA   ASP  95           HA       ASP  95   6.754  19.865   2.744
 1875    HB2  ASP  95           HB2      ASP  95   8.651  21.141   3.580
 1876    HB3  ASP  95           HB3      ASP  95   9.085  20.242   2.141
 1877    H    LYS  96           H        LYS  96   4.634  21.334   1.609
 1878    HA   LYS  96           HA       LYS  96   4.462  23.804   3.149
 1879    HB2  LYS  96           HB2      LYS  96   2.578  22.547   1.145
 1880    HB3  LYS  96           HB3      LYS  96   2.281  24.072   1.964
 1881    HG2  LYS  96           HG2      LYS  96   4.612  23.519   0.145
 1882    HG3  LYS  96           HG3      LYS  96   3.128  24.349  -0.327
 1883    HD2  LYS  96           HD2      LYS  96   3.591  26.047   1.435
 1884    HD3  LYS  96           HD3      LYS  96   5.138  25.251   1.733
 1885    HE2  LYS  96           HE2      LYS  96   5.452  27.154   0.266
 1886    HE3  LYS  96           HE3      LYS  96   5.777  25.657  -0.609
 1887    HZ1  LYS  96           HZ1      LYS  96   3.559  25.794  -1.581
 1888    HZ2  LYS  96           HZ2      LYS  96   4.466  27.182  -1.938
 1889    HZ3  LYS  96           HZ3      LYS  96   3.264  27.240  -0.741
 1890    H    GLN  97           H        GLN  97   3.806  23.673   5.169
 1891    HA   GLN  97           HA       GLN  97   2.469  23.349   6.959
 1892    HB2  GLN  97           HB2      GLN  97   0.599  23.719   5.395
 1893    HB3  GLN  97           HB3      GLN  97   0.571  21.999   5.033
 1894    HG2  GLN  97           HG2      GLN  97  -0.105  21.469   7.255
 1895    HG3  GLN  97           HG3      GLN  97   0.144  23.132   7.783
 1896   HE21  GLN  97          HE21      GLN  97  -1.327  24.712   7.185
 1897   HE22  GLN  97          HE22      GLN  97  -2.917  24.316   6.621
 1898    HA   PRO  98           HA       PRO  98   4.132  19.291   7.866
 1899    HB2  PRO  98           HB2      PRO  98   4.512  19.704  10.490
 1900    HB3  PRO  98           HB3      PRO  98   5.550  20.453   9.270
 1901    HG2  PRO  98           HG2      PRO  98   3.261  21.634  10.795
 1902    HG3  PRO  98           HG3      PRO  98   4.842  22.346  10.419
 1903    HD2  PRO  98           HD2      PRO  98   2.556  22.889   9.017
 1904    HD3  PRO  98           HD3      PRO  98   4.186  22.993   8.323
 1905    H    ARG  99           H        ARG  99   1.166  19.855   7.813
 1906    HA   ARG  99           HA       ARG  99   0.246  18.337  10.133
 1907    HB2  ARG  99           HB2      ARG  99  -1.304  19.695   7.924
 1908    HB3  ARG  99           HB3      ARG  99  -2.027  18.845   9.282
 1909    HG2  ARG  99           HG2      ARG  99  -0.317  21.316   9.428
 1910    HG3  ARG  99           HG3      ARG  99  -2.065  21.229   9.656
 1911    HD2  ARG  99           HD2      ARG  99  -1.655  19.678  11.568
 1912    HD3  ARG  99           HD3      ARG  99   0.070  19.998  11.389
 1913    HE   ARG  99           HE       ARG  99  -1.352  22.432  11.621
 1914   HH11  ARG  99          HH12      ARG  99  -0.187  19.708  13.482
 1915   HH12  ARG  99          HH11      ARG  99  -0.254  20.551  15.003
 1916   HH21  ARG  99          HH22      ARG  99  -1.433  23.552  13.612
 1917   HH22  ARG  99          HH21      ARG  99  -0.953  22.743  15.072
 1918    H    LYS 100           H        LYS 100  -1.727  17.959   7.408
 1919    HA   LYS 100           HA       LYS 100  -0.991  15.167   7.189
 1920    HB2  LYS 100           HB2      LYS 100  -3.180  16.714   5.780
 1921    HB3  LYS 100           HB3      LYS 100  -2.975  14.967   5.753
 1922    HG2  LYS 100           HG2      LYS 100  -3.601  16.648   8.176
 1923    HG3  LYS 100           HG3      LYS 100  -4.725  15.601   7.306
 1924    HD2  LYS 100           HD2      LYS 100  -3.478  13.646   7.924
 1925    HD3  LYS 100           HD3      LYS 100  -2.195  14.633   8.626
 1926    HE2  LYS 100           HE2      LYS 100  -3.768  15.458  10.317
 1927    HE3  LYS 100           HE3      LYS 100  -5.042  14.459   9.617
 1928    HZ1  LYS 100           HZ1      LYS 100  -2.503  13.429  10.776
 1929    HZ2  LYS 100           HZ2      LYS 100  -3.774  12.490  10.151
 1930    HZ3  LYS 100           HZ3      LYS 100  -4.011  13.410  11.551
 1931    H    LYS 101           H        LYS 101   1.023  15.316   6.248
 1932    HA   LYS 101           HA       LYS 101   1.073  16.000   3.418
 1933    HB2  LYS 101           HB2      LYS 101   1.701  18.072   4.600
 1934    HB3  LYS 101           HB3      LYS 101   2.964  17.200   5.456
 1935    HG2  LYS 101           HG2      LYS 101   3.849  16.646   3.090
 1936    HG3  LYS 101           HG3      LYS 101   2.836  17.998   2.583
 1937    HD2  LYS 101           HD2      LYS 101   5.152  18.689   3.035
 1938    HD3  LYS 101           HD3      LYS 101   4.000  19.480   4.113
 1939    HE2  LYS 101           HE2      LYS 101   6.105  18.621   5.205
 1940    HE3  LYS 101           HE3      LYS 101   4.592  18.075   5.927
 1941    HZ1  LYS 101           HZ1      LYS 101   4.814  15.970   4.806
 1942    HZ2  LYS 101           HZ2      LYS 101   6.234  16.283   5.678
 1943    HZ3  LYS 101           HZ3      LYS 101   6.211  16.490   3.993
  Start of MODEL    2
    1    H1   GLN1897           H1       GLN1897 -18.874 -12.005   1.824
    2    H2   GLN1897           H2       GLN1897 -20.317 -12.126   0.945
    3    H3   GLN1897           H3       GLN1897 -20.329 -11.454   2.503
    4    HA   GLN1897           HA       GLN1897 -19.018 -10.312   0.104
    5    HB2  GLN1897           HB2      GLN1897 -21.475 -10.065   0.130
    6    HB3  GLN1897           HB3      GLN1897 -21.385  -9.353   1.735
    7    HG2  GLN1897           HG2      GLN1897 -21.679  -7.638   0.043
    8    HG3  GLN1897           HG3      GLN1897 -20.105  -7.462   0.827
    9   HE21  GLN1897          HE21      GLN1897 -19.204  -6.362  -0.844
   10   HE22  GLN1897          HE22      GLN1897 -18.805  -7.110  -2.355
   11    H    ARG1898           H        ARG1898 -17.706  -8.547   0.447
   12    HA   ARG1898           HA       ARG1898 -16.714  -6.820   1.432
   13    HB2  ARG1898           HB2      ARG1898 -18.754  -6.328   2.662
   14    HB3  ARG1898           HB3      ARG1898 -18.320  -7.525   3.868
   15    HG2  ARG1898           HG2      ARG1898 -16.246  -5.525   3.436
   16    HG3  ARG1898           HG3      ARG1898 -17.775  -4.842   3.992
   17    HD2  ARG1898           HD2      ARG1898 -16.423  -7.180   5.312
   18    HD3  ARG1898           HD3      ARG1898 -16.141  -5.506   5.797
   19    HE   ARG1898           HE       ARG1898 -18.491  -5.387   6.428
   20   HH11  ARG1898          HH12      ARG1898 -17.291  -8.597   5.692
   21   HH12  ARG1898          HH11      ARG1898 -18.461  -9.401   6.680
   22   HH21  ARG1898          HH22      ARG1898 -20.073  -6.468   7.713
   23   HH22  ARG1898          HH21      ARG1898 -20.034  -8.202   7.821
   24    H    GLU1899           H        GLU1899 -15.135  -8.370   0.941
   25    HA   GLU1899           HA       GLU1899 -13.609  -9.827   2.741
   26    HB2  GLU1899           HB2      GLU1899 -11.737  -8.690   1.206
   27    HB3  GLU1899           HB3      GLU1899 -12.821  -9.928   0.579
   28    HG2  GLU1899           HG2      GLU1899 -13.822  -7.170   0.457
   29    HG3  GLU1899           HG3      GLU1899 -12.458  -7.517  -0.600
   30    H    LEU1900           H        LEU1900 -14.253  -6.475   2.490
   31    HA   LEU1900           HA       LEU1900 -11.857  -5.425   3.473
   32    HB2  LEU1900           HB2      LEU1900 -14.628  -4.226   3.425
   33    HB3  LEU1900           HB3      LEU1900 -13.196  -3.379   3.933
   34    HG   LEU1900           HG       LEU1900 -13.575  -2.649   1.783
   35   HD11  LEU1900          HD11      LEU1900 -11.273  -3.098   2.187
   36   HD12  LEU1900          HD12      LEU1900 -11.466  -4.764   1.638
   37   HD13  LEU1900          HD13      LEU1900 -11.663  -3.431   0.500
   38   HD21  LEU1900          HD21      LEU1900 -13.959  -3.978  -0.138
   39   HD22  LEU1900          HD22      LEU1900 -13.821  -5.460   0.813
   40   HD23  LEU1900          HD23      LEU1900 -15.159  -4.349   1.103
   41    H    GLU1901           H        GLU1901 -14.090  -7.269   5.150
   42    HA   GLU1901           HA       GLU1901 -13.835  -5.972   7.704
   43    HB2  GLU1901           HB2      GLU1901 -14.824  -8.002   8.644
   44    HB3  GLU1901           HB3      GLU1901 -15.747  -7.447   7.257
   45    HG2  GLU1901           HG2      GLU1901 -14.856  -9.176   5.879
   46    HG3  GLU1901           HG3      GLU1901 -13.693  -9.639   7.120
   47    H    ASP1902           H        ASP1902 -12.311  -8.726   6.097
   48    HA   ASP1902           HA       ASP1902 -10.335  -8.998   8.220
   49    HB2  ASP1902           HB2      ASP1902 -11.308 -11.019   7.178
   50    HB3  ASP1902           HB3      ASP1902 -10.691 -10.508   5.613
   51    H    ALA1903           H        ALA1903 -10.850  -7.236   5.483
   52    HA   ALA1903           HA       ALA1903  -8.234  -7.119   4.343
   53    HB1  ALA1903           HB1      ALA1903 -10.375  -5.035   4.039
   54    HB2  ALA1903           HB2      ALA1903  -9.132  -5.524   2.878
   55    HB3  ALA1903           HB3      ALA1903 -10.489  -6.601   3.230
   56    H    THR1904           H        THR1904 -10.198  -4.576   5.793
   57    HA   THR1904           HA       THR1904  -7.749  -3.045   6.113
   58    HB   THR1904           HB       THR1904  -9.286  -1.087   6.193
   59    HG1  THR1904           HG1      THR1904 -11.421  -1.375   6.094
   60   HG21  THR1904          HG21      THR1904  -8.292  -1.725   4.090
   61   HG22  THR1904          HG22      THR1904  -9.975  -1.288   3.792
   62   HG23  THR1904          HG23      THR1904  -9.502  -2.984   3.852
   63    H    GLU1905           H        GLU1905  -9.604  -4.972   7.973
   64    HA   GLU1905           HA       GLU1905  -9.669  -3.695  10.464
   65    HB2  GLU1905           HB2      GLU1905 -10.537  -5.976  10.027
   66    HB3  GLU1905           HB3      GLU1905  -8.883  -6.535   9.813
   67    HG2  GLU1905           HG2      GLU1905  -9.647  -7.157  11.996
   68    HG3  GLU1905           HG3      GLU1905  -8.395  -5.931  12.138
   69    H    THR1906           H        THR1906  -7.203  -5.528   8.777
   70    HA   THR1906           HA       THR1906  -5.131  -5.053  10.661
   71    HB   THR1906           HB       THR1906  -4.346  -5.768   7.918
   72    HG1  THR1906           HG1      THR1906  -5.499  -7.674   7.851
   73   HG21  THR1906          HG21      THR1906  -4.087  -7.147  10.594
   74   HG22  THR1906          HG22      THR1906  -2.895  -6.057   9.882
   75   HG23  THR1906          HG23      THR1906  -3.245  -7.606   9.114
   76    H    ALA1907           H        ALA1907  -6.506  -3.254   8.055
   77    HA   ALA1907           HA       ALA1907  -4.390  -1.641   7.293
   78    HB1  ALA1907           HB1      ALA1907  -5.998   0.105   6.769
   79    HB2  ALA1907           HB2      ALA1907  -6.627  -1.475   6.275
   80    HB3  ALA1907           HB3      ALA1907  -7.217  -0.703   7.753
   81    H    ASP1908           H        ASP1908  -6.567  -1.230  10.052
   82    HA   ASP1908           HA       ASP1908  -5.521   1.032  11.221
   83    HB2  ASP1908           HB2      ASP1908  -7.506  -0.076  12.079
   84    HB3  ASP1908           HB3      ASP1908  -6.558  -1.477  12.564
   85    H    ALA1909           H        ALA1909  -4.270  -2.280  11.431
   86    HA   ALA1909           HA       ALA1909  -2.285  -1.755  13.387
   87    HB1  ALA1909           HB1      ALA1909  -3.067  -4.019  12.868
   88    HB2  ALA1909           HB2      ALA1909  -2.319  -3.910  11.275
   89    HB3  ALA1909           HB3      ALA1909  -1.314  -3.888  12.724
   90    H    MET1910           H        MET1910  -1.747  -2.458   9.916
   91    HA   MET1910           HA       MET1910   0.758  -1.472   9.569
   92    HB2  MET1910           HB2      MET1910  -0.271  -2.519   7.747
   93    HB3  MET1910           HB3      MET1910  -1.648  -1.435   7.773
   94    HG2  MET1910           HG2      MET1910  -0.284   0.378   6.873
   95    HG3  MET1910           HG3      MET1910   1.155  -0.651   6.945
   96    HE1  MET1910           HE1      MET1910  -0.388  -3.445   6.170
   97    HE2  MET1910           HE2      MET1910  -0.033  -3.534   4.444
   98    HE3  MET1910           HE3      MET1910   1.229  -3.057   5.581
   99    H    ASN1911           H        ASN1911  -2.136   0.470   9.974
  100    HA   ASN1911           HA       ASN1911  -1.172   2.814   8.746
  101    HB2  ASN1911           HB2      ASN1911  -3.554   2.210   9.290
  102    HB3  ASN1911           HB3      ASN1911  -3.203   2.641  10.951
  103   HD21  ASN1911          HD21      ASN1911  -2.064   4.284   8.049
  104   HD22  ASN1911          HD22      ASN1911  -2.989   5.695   8.306
  105    H    ARG1912           H        ARG1912  -0.771   1.607  12.010
  106    HA   ARG1912           HA       ARG1912   0.135   4.081  13.087
  107    HB2  ARG1912           HB2      ARG1912   0.672   1.292  14.097
  108    HB3  ARG1912           HB3      ARG1912   0.643   2.774  15.011
  109    HG2  ARG1912           HG2      ARG1912  -1.685   1.343  13.797
  110    HG3  ARG1912           HG3      ARG1912  -1.354   1.607  15.511
  111    HD2  ARG1912           HD2      ARG1912  -1.765   3.949  15.303
  112    HD3  ARG1912           HD3      ARG1912  -1.831   3.837  13.540
  113    HE   ARG1912           HE       ARG1912  -3.796   2.151  14.585
  114   HH11  ARG1912          HH12      ARG1912  -3.071   5.576  14.461
  115   HH12  ARG1912          HH11      ARG1912  -4.744   6.059  14.464
  116   HH21  ARG1912          HH22      ARG1912  -5.997   2.767  14.586
  117   HH22  ARG1912          HH21      ARG1912  -6.404   4.459  14.554
  118    H    GLU1913           H        GLU1913   1.726   1.027  12.382
  119    HA   GLU1913           HA       GLU1913   4.361   1.941  12.575
  120    HB2  GLU1913           HB2      GLU1913   4.906  -0.131  11.309
  121    HB3  GLU1913           HB3      GLU1913   3.850  -0.401  12.693
  122    HG2  GLU1913           HG2      GLU1913   1.917  -0.306  11.107
  123    HG3  GLU1913           HG3      GLU1913   3.091  -0.317   9.784
  124    H    VAL1914           H        VAL1914   2.076   2.091   9.923
  125    HA   VAL1914           HA       VAL1914   3.865   2.211   7.777
  126    HB   VAL1914           HB       VAL1914   1.288   2.022   7.716
  127   HG11  VAL1914          HG11      VAL1914   0.108   4.122   7.226
  128   HG12  VAL1914          HG12      VAL1914   0.702   4.046   8.888
  129   HG13  VAL1914          HG13      VAL1914   1.561   5.015   7.685
  130   HG21  VAL1914          HG21      VAL1914   2.694   3.788   5.732
  131   HG22  VAL1914          HG22      VAL1914   2.657   2.023   5.725
  132   HG23  VAL1914          HG23      VAL1914   1.169   2.936   5.472
  133    H    SER1915           H        SER1915   2.694   4.724   9.927
  134    HA   SER1915           HA       SER1915   3.840   6.788   8.318
  135    HB2  SER1915           HB2      SER1915   1.813   7.181   9.563
  136    HB3  SER1915           HB3      SER1915   2.636   6.855  11.089
  137    HG   SER1915           HG       SER1915   2.436   9.109  10.647
  138    H    SER1916           H        SER1916   4.654   4.997  11.221
  139    HA   SER1916           HA       SER1916   7.037   6.456  11.803
  140    HB2  SER1916           HB2      SER1916   5.810   5.094  13.489
  141    HB3  SER1916           HB3      SER1916   6.281   3.635  12.618
  142    HG   SER1916           HG       SER1916   7.953   5.492  13.970
  143    H    LEU1917           H        LEU1917   6.276   3.565   9.934
  144    HA   LEU1917           HA       LEU1917   8.939   2.886   9.294
  145    HB2  LEU1917           HB2      LEU1917   6.966   1.333   9.139
  146    HB3  LEU1917           HB3      LEU1917   6.445   2.220   7.722
  147    HG   LEU1917           HG       LEU1917   9.046   0.688   7.934
  148   HD11  LEU1917          HD11      LEU1917   7.913  -0.795   6.238
  149   HD12  LEU1917          HD12      LEU1917   7.316  -0.915   7.900
  150   HD13  LEU1917          HD13      LEU1917   6.402  -0.006   6.696
  151   HD21  LEU1917          HD21      LEU1917   9.104   0.989   5.487
  152   HD22  LEU1917          HD22      LEU1917   7.705   2.065   5.623
  153   HD23  LEU1917          HD23      LEU1917   9.237   2.506   6.388
  154    H    LYS1918           H        LYS1918   6.371   4.562   7.473
  155    HA   LYS1918           HA       LYS1918   7.899   5.337   5.312
  156    HB2  LYS1918           HB2      LYS1918   5.768   5.935   4.902
  157    HB3  LYS1918           HB3      LYS1918   5.432   6.273   6.592
  158    HG2  LYS1918           HG2      LYS1918   7.183   8.271   5.528
  159    HG3  LYS1918           HG3      LYS1918   5.758   8.089   4.496
  160    HD2  LYS1918           HD2      LYS1918   4.358   8.894   6.073
  161    HD3  LYS1918           HD3      LYS1918   5.195   8.040   7.368
  162    HE2  LYS1918           HE2      LYS1918   5.386  10.421   7.660
  163    HE3  LYS1918           HE3      LYS1918   6.953   9.681   7.352
  164    HZ1  LYS1918           HZ1      LYS1918   6.908  10.494   5.114
  165    HZ2  LYS1918           HZ2      LYS1918   6.607  11.798   6.142
  166    HZ3  LYS1918           HZ3      LYS1918   5.333  11.087   5.282
  167    H    ASN1919           H        ASN1919   7.977   6.468   8.576
  168    HA   ASN1919           HA       ASN1919   9.665   8.745   8.070
  169    HB2  ASN1919           HB2      ASN1919   8.085   8.737   9.945
  170    HB3  ASN1919           HB3      ASN1919   8.910   7.354  10.649
  171   HD21  ASN1919          HD21      ASN1919   9.337   8.423  12.536
  172   HD22  ASN1919          HD22      ASN1919  10.511   9.685  12.659
  173    H    LYS1920           H        LYS1920  10.173   5.352   8.510
  174    HA   LYS1920           HA       LYS1920  12.857   5.464   9.540
  175    HB2  LYS1920           HB2      LYS1920  11.788   3.249   7.792
  176    HB3  LYS1920           HB3      LYS1920  13.013   3.145   9.037
  177    HG2  LYS1920           HG2      LYS1920  10.343   3.893   9.984
  178    HG3  LYS1920           HG3      LYS1920  10.471   2.273   9.272
  179    HD2  LYS1920           HD2      LYS1920  10.987   1.850  11.486
  180    HD3  LYS1920           HD3      LYS1920  12.594   2.117  10.812
  181    HE2  LYS1920           HE2      LYS1920  12.472   3.328  12.855
  182    HE3  LYS1920           HE3      LYS1920  12.406   4.506  11.544
  183    HZ1  LYS1920           HZ1      LYS1920  10.781   4.971  13.292
  184    HZ2  LYS1920           HZ2      LYS1920  10.047   3.461  13.025
  185    HZ3  LYS1920           HZ3      LYS1920  10.022   4.644  11.812
  186    H    LEU1921           H        LEU1921  11.255   4.958   6.492
  187    HA   LEU1921           HA       LEU1921  13.626   4.863   4.933
  188    HB2  LEU1921           HB2      LEU1921  10.782   5.303   4.009
  189    HB3  LEU1921           HB3      LEU1921  12.118   4.666   3.065
  190    HG   LEU1921           HG       LEU1921  10.754   3.300   5.391
  191   HD11  LEU1921          HD11      LEU1921  10.908   2.557   2.481
  192   HD12  LEU1921          HD12      LEU1921  10.136   1.610   3.762
  193   HD13  LEU1921          HD13      LEU1921   9.494   3.200   3.322
  194   HD21  LEU1921          HD21      LEU1921  13.065   2.315   3.737
  195   HD22  LEU1921          HD22      LEU1921  13.167   2.881   5.404
  196   HD23  LEU1921          HD23      LEU1921  12.234   1.434   5.020
  197    H    ARG1922           H        ARG1922  11.708   7.323   6.218
  198    HA   ARG1922           HA       ARG1922  12.735   9.399   4.483
  199    HB2  ARG1922           HB2      ARG1922  10.836   9.287   6.775
  200    HB3  ARG1922           HB3      ARG1922  11.576  10.822   6.367
  201    HG2  ARG1922           HG2      ARG1922   9.906   9.102   4.562
  202    HG3  ARG1922           HG3      ARG1922   9.430  10.627   5.311
  203    HD2  ARG1922           HD2      ARG1922  11.596  11.493   4.053
  204    HD3  ARG1922           HD3      ARG1922  11.234  10.110   3.007
  205    HE   ARG1922           HE       ARG1922   9.002  11.862   3.611
  206   HH11  ARG1922          HH12      ARG1922  11.633  11.218   1.379
  207   HH12  ARG1922          HH11      ARG1922  10.802  11.887   0.018
  208   HH21  ARG1922          HH22      ARG1922   7.899  12.704   1.847
  209   HH22  ARG1922          HH21      ARG1922   8.666  12.738   0.284
  210    H    ARG1923           H        ARG1923  14.172   7.666   6.859
  211    HA   ARG1923           HA       ARG1923  15.159   9.465   8.731
  212    HB2  ARG1923           HB2      ARG1923  15.474   6.883   8.488
  213    HB3  ARG1923           HB3      ARG1923  16.924   7.317   7.598
  214    HG2  ARG1923           HG2      ARG1923  16.370   8.278  10.393
  215    HG3  ARG1923           HG3      ARG1923  17.224   6.779  10.040
  216    HD2  ARG1923           HD2      ARG1923  18.844   8.157   8.685
  217    HD3  ARG1923           HD3      ARG1923  18.059   9.590   9.353
  218    HE   ARG1923           HE       ARG1923  18.733   7.986  11.508
  219   HH11  ARG1923          HH12      ARG1923  20.402   9.762   8.981
  220   HH12  ARG1923          HH11      ARG1923  21.874   9.904   9.894
  221   HH21  ARG1923          HH22      ARG1923  20.631   8.198  12.705
  222   HH22  ARG1923          HH21      ARG1923  22.000   9.042  12.032
  223    H    GLY1924           H        GLY1924  16.721   8.505   5.658
  224    HA2  GLY1924           HA2      GLY1924  17.275  10.607   4.313
  225    HA3  GLY1924           HA3      GLY1924  18.194  11.060   5.741
  226    H    ASP1925           H        ASP1925  18.866   8.157   6.131
  227    HA   ASP1925           HA       ASP1925  21.108   8.086   4.267
  228    HB2  ASP1925           HB2      ASP1925  21.969   6.277   5.773
  229    HB3  ASP1925           HB3      ASP1925  21.758   7.837   6.558
  230    H    LEU1926           H        LEU1926  18.027   6.814   4.568
  231    HA   LEU1926           HA       LEU1926  18.118   4.349   3.355
  232    HB2  LEU1926           HB2      LEU1926  16.249   6.488   3.752
  233    HB3  LEU1926           HB3      LEU1926  16.058   5.846   2.137
  234    HG   LEU1926           HG       LEU1926  15.012   4.851   4.571
  235   HD11  LEU1926          HD11      LEU1926  15.028   3.775   1.739
  236   HD12  LEU1926          HD12      LEU1926  13.904   3.291   3.008
  237   HD13  LEU1926          HD13      LEU1926  13.891   4.947   2.402
  238   HD21  LEU1926          HD21      LEU1926  16.895   2.905   3.224
  239   HD22  LEU1926          HD22      LEU1926  17.054   3.542   4.863
  240   HD23  LEU1926          HD23      LEU1926  15.690   2.502   4.445
  241    HA   PRO1927           HA       PRO1927  19.578   5.370  -0.770
  242    HB2  PRO1927           HB2      PRO1927  19.486   2.929  -1.819
  243    HB3  PRO1927           HB3      PRO1927  20.640   3.320  -0.540
  244    HG2  PRO1927           HG2      PRO1927  18.076   1.805  -0.389
  245    HG3  PRO1927           HG3      PRO1927  19.595   1.531   0.481
  246    HD2  PRO1927           HD2      PRO1927  17.340   2.857   1.479
  247    HD3  PRO1927           HD3      PRO1927  18.971   2.906   2.176
  248    H    PHE1928           H        PHE1928  16.468   4.850   0.075
  249    HA   PHE1928           HA       PHE1928  15.502   5.082  -2.653
  250    HB2  PHE1928           HB2      PHE1928  14.697   2.993  -2.789
  251    HB3  PHE1928           HB3      PHE1928  15.530   2.630  -1.307
  252    HD1  PHE1928           HD2      PHE1928  12.434   4.366  -2.278
  253    HD2  PHE1928           HD1      PHE1928  14.267   1.455   0.194
  254    HE1  PHE1928           HE2      PHE1928  10.262   3.898  -1.208
  255    HE2  PHE1928           HE1      PHE1928  12.119   0.990   1.261
  256    HZ   PHE1928           HZ       PHE1928  10.169   2.023   0.547
  257    H    VAL1929           H        VAL1929  13.703   6.300  -2.822
  258    HA   VAL1929           HA       VAL1929  11.991   6.999  -0.645
  259    HB   VAL1929           HB       VAL1929  12.641   9.488  -0.836
  260   HG11  VAL1929          HG11      VAL1929  14.288   9.309   0.947
  261   HG12  VAL1929          HG12      VAL1929  12.953   8.182   1.198
  262   HG13  VAL1929          HG13      VAL1929  14.496   7.595   0.579
  263   HG21  VAL1929          HG21      VAL1929  14.988   9.874  -1.388
  264   HG22  VAL1929          HG22      VAL1929  15.164   8.154  -1.769
  265   HG23  VAL1929          HG23      VAL1929  14.096   9.165  -2.741
  266    H    VAL1930           H        VAL1930  10.369   8.572  -1.297
  267    HA   VAL1930           HA       VAL1930   9.902   8.511  -4.135
  268    HB   VAL1930           HB       VAL1930   8.312   9.874  -1.954
  269   HG11  VAL1930          HG11      VAL1930   6.523   9.979  -3.668
  270   HG12  VAL1930          HG12      VAL1930   7.925  10.969  -4.077
  271   HG13  VAL1930          HG13      VAL1930   7.683   9.412  -4.869
  272   HG21  VAL1930          HG21      VAL1930   7.841   7.292  -3.437
  273   HG22  VAL1930          HG22      VAL1930   8.363   7.440  -1.757
  274   HG23  VAL1930          HG23      VAL1930   6.764   8.010  -2.238
  275    HA   PRO1931           HA       PRO1931  11.971  12.411  -4.957
  276    HB2  PRO1931           HB2      PRO1931  11.180  12.479  -7.560
  277    HB3  PRO1931           HB3      PRO1931  12.541  11.507  -6.984
  278    HG2  PRO1931           HG2      PRO1931   9.719  10.676  -7.537
  279    HG3  PRO1931           HG3      PRO1931  11.232   9.851  -7.960
  280    HD2  PRO1931           HD2      PRO1931   9.744   9.099  -5.854
  281    HD3  PRO1931           HD3      PRO1931  11.517   9.012  -5.827
  282    H    ARG1932           H        ARG1932  11.176  14.432  -6.214
  283    HA   ARG1932           HA       ARG1932   8.854  15.406  -4.926
  284    HB2  ARG1932           HB2      ARG1932  10.436  16.596  -7.198
  285    HB3  ARG1932           HB3      ARG1932   9.266  17.464  -6.211
  286    HG2  ARG1932           HG2      ARG1932  10.632  17.220  -4.261
  287    HG3  ARG1932           HG3      ARG1932  11.743  16.152  -5.116
  288    HD2  ARG1932           HD2      ARG1932  12.341  18.006  -6.614
  289    HD3  ARG1932           HD3      ARG1932  11.258  19.067  -5.714
  290    HE   ARG1932           HE       ARG1932  12.793  18.322  -3.738
  291   HH11  ARG1932          HH12      ARG1932  13.772  19.070  -7.010
  292   HH12  ARG1932          HH11      ARG1932  15.369  19.575  -6.562
  293   HH21  ARG1932          HH22      ARG1932  14.868  18.981  -3.126
  294   HH22  ARG1932          HH21      ARG1932  16.003  19.520  -4.328
  295    H    ARG1933           H        ARG1933   8.300  13.141  -6.550
  296    HA   ARG1933           HA       ARG1933   5.856  13.555  -7.635
  297    HB2  ARG1933           HB2      ARG1933   6.349  13.532 -10.118
  298    HB3  ARG1933           HB3      ARG1933   6.694  15.055  -9.311
  299    HG2  ARG1933           HG2      ARG1933   9.096  14.249  -9.146
  300    HG3  ARG1933           HG3      ARG1933   8.632  12.985 -10.286
  301    HD2  ARG1933           HD2      ARG1933   9.581  14.802 -11.520
  302    HD3  ARG1933           HD3      ARG1933   7.848  14.762 -11.839
  303    HE   ARG1933           HE       ARG1933   9.117  16.651  -9.957
  304   HH11  ARG1933          HH12      ARG1933   6.798  15.886 -12.460
  305   HH12  ARG1933          HH11      ARG1933   6.075  17.469 -12.457
  306   HH21  ARG1933          HH22      ARG1933   8.210  18.746  -9.967
  307   HH22  ARG1933          HH21      ARG1933   6.887  19.107 -11.039
  308    H    MET1934           H        MET1934   5.788  11.735  -9.753
  309    HA   MET1934           HA       MET1934   6.682   9.293  -8.430
  310    HB2  MET1934           HB2      MET1934   5.019   9.796 -10.901
  311    HB3  MET1934           HB3      MET1934   5.462   8.189 -10.349
  312    HG2  MET1934           HG2      MET1934   4.017  10.092  -8.548
  313    HG3  MET1934           HG3      MET1934   3.151   9.127  -9.739
  314    HE1  MET1934           HE1      MET1934   4.562   9.303  -6.226
  315    HE2  MET1934           HE2      MET1934   5.010   7.643  -5.816
  316    HE3  MET1934           HE3      MET1934   6.006   8.577  -6.936
  317    H    ALA1935           H        ALA1935   8.615  11.159  -9.600
  318    HA   ALA1935           HA       ALA1935   9.582   9.736 -11.990
  319    HB1  ALA1935           HB1      ALA1935   8.879  11.994 -12.427
  320    HB2  ALA1935           HB2      ALA1935   9.904  12.595 -11.118
  321    HB3  ALA1935           HB3      ALA1935  10.636  11.889 -12.565
  322    H    MET   1           H1       MET   1   1.041  -3.882 -21.649
  323    HA   MET   1           HA       MET   1   0.898  -3.794 -19.249
  324    HB2  MET   1           HB2      MET   1   2.382  -5.431 -20.405
  325    HB3  MET   1           HB3      MET   1   3.712  -4.295 -20.256
  326    HG2  MET   1           HG2      MET   1   2.257  -5.250 -17.826
  327    HG3  MET   1           HG3      MET   1   3.499  -6.245 -18.581
  328    HE1  MET   1           HE1      MET   1   6.041  -5.571 -18.759
  329    HE2  MET   1           HE2      MET   1   5.586  -4.103 -19.624
  330    HE3  MET   1           HE3      MET   1   6.682  -4.010 -18.246
  331    H    ALA   2           H        ALA   2   1.030  -2.497 -17.546
  332    HA   ALA   2           HA       ALA   2   2.866  -0.206 -17.652
  333    HB1  ALA   2           HB1      ALA   2   0.485   0.257 -17.243
  334    HB2  ALA   2           HB2      ALA   2   0.548  -0.754 -15.798
  335    HB3  ALA   2           HB3      ALA   2   1.491   0.735 -15.874
  336    H    CYS   3           H        CYS   3   4.375   0.169 -16.006
  337    HA   CYS   3           HA       CYS   3   5.636  -1.931 -14.761
  338    HB2  CYS   3           HB2      CYS   3   5.501   0.925 -13.772
  339    HB3  CYS   3           HB3      CYS   3   6.738  -0.258 -13.354
  340    HG   CYS   3           HG       CYS   3   7.008   1.932 -15.585
  341    HA   PRO   4           HA       PRO   4   2.119  -3.130 -12.296
  342    HB2  PRO   4           HB2      PRO   4   4.219  -4.927 -11.166
  343    HB3  PRO   4           HB3      PRO   4   2.600  -5.326 -11.765
  344    HG2  PRO   4           HG2      PRO   4   4.684  -5.902 -13.263
  345    HG3  PRO   4           HG3      PRO   4   3.263  -5.149 -14.013
  346    HD2  PRO   4           HD2      PRO   4   5.863  -3.895 -13.205
  347    HD3  PRO   4           HD3      PRO   4   4.914  -3.659 -14.688
  348    H    LEU   5           H        LEU   5   5.197  -3.375 -10.489
  349    HA   LEU   5           HA       LEU   5   3.934  -2.727  -8.039
  350    HB2  LEU   5           HB2      LEU   5   6.279  -3.895  -8.705
  351    HB3  LEU   5           HB3      LEU   5   6.848  -2.297  -8.273
  352    HG   LEU   5           HG       LEU   5   6.965  -3.900  -6.394
  353   HD11  LEU   5          HD11      LEU   5   5.897  -2.492  -4.716
  354   HD12  LEU   5          HD12      LEU   5   6.779  -1.539  -5.911
  355   HD13  LEU   5          HD13      LEU   5   5.020  -1.645  -5.989
  356   HD21  LEU   5          HD21      LEU   5   5.016  -5.255  -6.963
  357   HD22  LEU   5          HD22      LEU   5   4.926  -4.651  -5.308
  358   HD23  LEU   5          HD23      LEU   5   3.959  -3.896  -6.574
  359    H    GLU   6           H        GLU   6   5.602  -0.816 -10.472
  360    HA   GLU   6           HA       GLU   6   5.966   1.464  -8.855
  361    HB2  GLU   6           HB2      GLU   6   7.220   1.068 -10.961
  362    HB3  GLU   6           HB3      GLU   6   5.745   1.389 -11.863
  363    HG2  GLU   6           HG2      GLU   6   5.700   3.654 -11.143
  364    HG3  GLU   6           HG3      GLU   6   6.992   3.371  -9.980
  365    H    LYS   7           H        LYS   7   3.425   0.519 -11.129
  366    HA   LYS   7           HA       LYS   7   1.945   2.908 -10.905
  367    HB2  LYS   7           HB2      LYS   7   1.107   0.120 -11.719
  368    HB3  LYS   7           HB3      LYS   7   0.011   1.493 -11.742
  369    HG2  LYS   7           HG2      LYS   7   2.573   1.249 -13.309
  370    HG3  LYS   7           HG3      LYS   7   0.941   1.049 -13.947
  371    HD2  LYS   7           HD2      LYS   7   1.979   3.584 -12.679
  372    HD3  LYS   7           HD3      LYS   7   1.947   3.281 -14.415
  373    HE2  LYS   7           HE2      LYS   7  -0.479   3.058 -14.342
  374    HE3  LYS   7           HE3      LYS   7  -0.460   3.316 -12.598
  375    HZ1  LYS   7           HZ1      LYS   7   0.568   5.308 -14.543
  376    HZ2  LYS   7           HZ2      LYS   7   0.256   5.536 -12.884
  377    HZ3  LYS   7           HZ3      LYS   7  -1.029   5.303 -13.968
  378    H    ALA   8           H        ALA   8   2.136   0.062  -8.900
  379    HA   ALA   8           HA       ALA   8  -0.209   0.225  -7.446
  380    HB1  ALA   8           HB1      ALA   8   1.414  -1.581  -7.180
  381    HB2  ALA   8           HB2      ALA   8   2.522  -0.470  -6.375
  382    HB3  ALA   8           HB3      ALA   8   0.979  -0.873  -5.626
  383    H    LEU   9           H        LEU   9   2.870   1.898  -6.683
  384    HA   LEU   9           HA       LEU   9   1.682   3.370  -4.533
  385    HB2  LEU   9           HB2      LEU   9   4.238   4.008  -6.015
  386    HB3  LEU   9           HB3      LEU   9   3.745   4.657  -4.466
  387    HG   LEU   9           HG       LEU   9   5.319   3.063  -3.888
  388   HD11  LEU   9          HD11      LEU   9   3.315   2.779  -2.584
  389   HD12  LEU   9          HD12      LEU   9   2.665   1.649  -3.774
  390   HD13  LEU   9          HD13      LEU   9   4.100   1.221  -2.842
  391   HD21  LEU   9          HD21      LEU   9   4.076   1.100  -5.803
  392   HD22  LEU   9          HD22      LEU   9   5.526   2.058  -6.130
  393   HD23  LEU   9          HD23      LEU   9   5.527   0.864  -4.831
  394    H    ASP  10           H        ASP  10   2.417   4.039  -7.892
  395    HA   ASP  10           HA       ASP  10   1.895   6.776  -7.967
  396    HB2  ASP  10           HB2      ASP  10   2.946   5.707  -9.836
  397    HB3  ASP  10           HB3      ASP  10   1.581   4.621 -10.062
  398    H    VAL  11           H        VAL  11  -0.313   4.050  -8.528
  399    HA   VAL  11           HA       VAL  11  -2.497   5.752  -9.181
  400    HB   VAL  11           HB       VAL  11  -3.875   3.794  -9.260
  401   HG11  VAL  11          HG11      VAL  11  -2.643   2.480 -10.887
  402   HG12  VAL  11          HG12      VAL  11  -2.330   4.202 -11.108
  403   HG13  VAL  11          HG13      VAL  11  -1.124   3.180 -10.324
  404   HG21  VAL  11          HG21      VAL  11  -3.136   2.695  -7.217
  405   HG22  VAL  11          HG22      VAL  11  -3.058   1.585  -8.585
  406   HG23  VAL  11          HG23      VAL  11  -1.582   2.323  -7.962
  407    H    MET  12           H        MET  12  -1.253   4.564  -6.161
  408    HA   MET  12           HA       MET  12  -3.621   4.675  -4.652
  409    HB2  MET  12           HB2      MET  12  -0.782   5.261  -3.812
  410    HB3  MET  12           HB3      MET  12  -2.134   5.187  -2.693
  411    HG2  MET  12           HG2      MET  12  -2.497   2.826  -3.671
  412    HG3  MET  12           HG3      MET  12  -0.842   2.993  -4.244
  413    HE1  MET  12           HE1      MET  12  -0.071   0.926  -2.964
  414    HE2  MET  12           HE2      MET  12  -0.253   0.677  -1.223
  415    HE3  MET  12           HE3      MET  12  -1.671   0.629  -2.272
  416    H    VAL  13           H        VAL  13  -1.171   7.177  -5.261
  417    HA   VAL  13           HA       VAL  13  -2.851   9.165  -4.005
  418    HB   VAL  13           HB       VAL  13  -1.052  10.761  -4.515
  419   HG11  VAL  13          HG11      VAL  13  -0.011   8.207  -3.303
  420   HG12  VAL  13          HG12      VAL  13   0.588   9.839  -3.006
  421   HG13  VAL  13          HG13      VAL  13  -1.032   9.377  -2.463
  422   HG21  VAL  13          HG21      VAL  13   1.056  10.001  -5.471
  423   HG22  VAL  13          HG22      VAL  13   0.358   8.405  -5.763
  424   HG23  VAL  13          HG23      VAL  13  -0.266   9.813  -6.624
  425    H    SER  14           H        SER  14  -2.336   7.944  -7.170
  426    HA   SER  14           HA       SER  14  -3.231  10.286  -8.568
  427    HB2  SER  14           HB2      SER  14  -1.763   8.513  -9.577
  428    HB3  SER  14           HB3      SER  14  -3.152   7.430  -9.572
  429    HG   SER  14           HG       SER  14  -2.817   9.852 -11.012
  430    H    THR  15           H        THR  15  -4.692   7.095  -7.944
  431    HA   THR  15           HA       THR  15  -7.278   7.739  -8.857
  432    HB   THR  15           HB       THR  15  -6.642   5.691  -6.729
  433    HG1  THR  15           HG1      THR  15  -5.336   4.881  -8.183
  434   HG21  THR  15          HG21      THR  15  -8.648   5.667  -8.985
  435   HG22  THR  15          HG22      THR  15  -9.027   6.044  -7.305
  436   HG23  THR  15          HG23      THR  15  -8.452   4.432  -7.740
  437    H    PHE  16           H        PHE  16  -5.598   8.241  -5.883
  438    HA   PHE  16           HA       PHE  16  -7.474   8.783  -3.989
  439    HB2  PHE  16           HB2      PHE  16  -4.782   9.227  -4.296
  440    HB3  PHE  16           HB3      PHE  16  -5.411  10.867  -4.213
  441    HD1  PHE  16           HD1      PHE  16  -7.338  11.027  -2.264
  442    HD2  PHE  16           HD2      PHE  16  -3.981   8.422  -2.346
  443    HE1  PHE  16           HE1      PHE  16  -7.401  10.869   0.186
  444    HE2  PHE  16           HE2      PHE  16  -4.043   8.257   0.103
  445    HZ   PHE  16           HZ       PHE  16  -5.758   9.482   1.372
  446    H    HIS  17           H        HIS  17  -6.046  11.392  -5.945
  447    HA   HIS  17           HA       HIS  17  -8.127  13.219  -5.297
  448    HB2  HIS  17           HB2      HIS  17  -7.024  14.758  -6.873
  449    HB3  HIS  17           HB3      HIS  17  -5.881  14.036  -5.751
  450    HD1  HIS  17           HD1      HIS  17  -6.917  13.916  -9.387
  451    HD2  HIS  17           HD2      HIS  17  -3.828  12.631  -6.910
  452    HE1  HIS  17           HE1      HIS  17  -5.118  13.057 -10.925
  453    HE2  HIS  17           HE2      HIS  17  -3.188  12.489  -9.407
  454    H    LYS  18           H        LYS  18  -7.945  10.757  -7.538
  455    HA   LYS  18           HA       LYS  18  -9.377  11.861  -9.717
  456    HB2  LYS  18           HB2      LYS  18  -7.933   9.882  -9.877
  457    HB3  LYS  18           HB3      LYS  18  -9.021   8.998  -8.825
  458    HG2  LYS  18           HG2      LYS  18 -10.783   9.168 -10.524
  459    HG3  LYS  18           HG3      LYS  18  -9.652  10.012 -11.586
  460    HD2  LYS  18           HD2      LYS  18  -8.184   8.088 -11.612
  461    HD3  LYS  18           HD3      LYS  18  -9.215   7.251 -10.452
  462    HE2  LYS  18           HE2      LYS  18 -11.046   7.294 -12.101
  463    HE3  LYS  18           HE3      LYS  18  -9.956   8.052 -13.261
  464    HZ1  LYS  18           HZ1      LYS  18 -10.081   5.683 -13.634
  465    HZ2  LYS  18           HZ2      LYS  18  -9.608   5.367 -12.032
  466    HZ3  LYS  18           HZ3      LYS  18  -8.524   6.098 -13.106
  467    H    TYR  19           H        TYR  19 -10.328  10.469  -6.662
  468    HA   TYR  19           HA       TYR  19 -13.158  10.729  -7.476
  469    HB2  TYR  19           HB2      TYR  19 -11.954   8.731  -5.546
  470    HB3  TYR  19           HB3      TYR  19 -13.680   8.948  -5.817
  471    HD1  TYR  19           HD2      TYR  19 -10.523   7.841  -7.366
  472    HD2  TYR  19           HD1      TYR  19 -14.757   7.984  -7.725
  473    HE1  TYR  19           HE2      TYR  19 -10.414   6.240  -9.219
  474    HE2  TYR  19           HE1      TYR  19 -14.654   6.374  -9.586
  475    HH   TYR  19           HH       TYR  19 -11.690   4.717 -10.407
  476    H    SER  20           H        SER  20 -10.926  10.960  -4.699
  477    HA   SER  20           HA       SER  20 -12.796  11.733  -2.794
  478    HB2  SER  20           HB2      SER  20 -10.840  12.698  -1.556
  479    HB3  SER  20           HB3      SER  20 -10.579  11.055  -2.149
  480    HG   SER  20           HG       SER  20  -9.200  11.772  -3.635
  481    H    GLY  21           H        GLY  21 -11.134  13.689  -5.182
  482    HA2  GLY  21           HA2      GLY  21 -11.837  16.205  -4.029
  483    HA3  GLY  21           HA3      GLY  21 -11.186  15.945  -5.638
  484    H    LYS  22           H        LYS  22 -13.874  13.999  -5.232
  485    HA   LYS  22           HA       LYS  22 -15.463  15.768  -6.881
  486    HB2  LYS  22           HB2      LYS  22 -15.813  12.914  -5.972
  487    HB3  LYS  22           HB3      LYS  22 -17.066  13.778  -6.861
  488    HG2  LYS  22           HG2      LYS  22 -15.448  14.137  -8.695
  489    HG3  LYS  22           HG3      LYS  22 -14.267  13.178  -7.798
  490    HD2  LYS  22           HD2      LYS  22 -15.850  11.276  -7.832
  491    HD3  LYS  22           HD3      LYS  22 -16.943  12.240  -8.827
  492    HE2  LYS  22           HE2      LYS  22 -15.094  12.462 -10.493
  493    HE3  LYS  22           HE3      LYS  22 -14.167  11.311  -9.531
  494    HZ1  LYS  22           HZ1      LYS  22 -16.024   9.717  -9.836
  495    HZ2  LYS  22           HZ2      LYS  22 -15.250  10.144 -11.281
  496    HZ3  LYS  22           HZ3      LYS  22 -16.755  10.823 -10.898
  497    H    GLU  23           H        GLU  23 -15.943  14.034  -3.774
  498    HA   GLU  23           HA       GLU  23 -18.109  15.829  -3.066
  499    HB2  GLU  23           HB2      GLU  23 -16.685  13.679  -1.496
  500    HB3  GLU  23           HB3      GLU  23 -17.968  14.673  -0.824
  501    HG2  GLU  23           HG2      GLU  23 -19.441  13.824  -2.673
  502    HG3  GLU  23           HG3      GLU  23 -18.158  12.675  -3.057
  503    H    GLY  24           H        GLY  24 -14.854  15.168  -1.758
  504    HA2  GLY  24           HA2      GLY  24 -15.001  17.813  -0.443
  505    HA3  GLY  24           HA3      GLY  24 -14.286  16.405   0.326
  506    H    ASP  25           H        ASP  25 -12.197  16.822   0.514
  507    HA   ASP  25           HA       ASP  25 -10.777  18.322  -1.513
  508    HB2  ASP  25           HB2      ASP  25 -10.450  18.345   1.112
  509    HB3  ASP  25           HB3      ASP  25  -9.399  16.970   0.780
  510    H    LYS  26           H        LYS  26  -8.607  17.413  -2.247
  511    HA   LYS  26           HA       LYS  26  -9.315  14.938  -3.563
  512    HB2  LYS  26           HB2      LYS  26  -7.196  15.397  -4.900
  513    HB3  LYS  26           HB3      LYS  26  -8.528  16.516  -5.082
  514    HG2  LYS  26           HG2      LYS  26  -6.497  17.756  -5.015
  515    HG3  LYS  26           HG3      LYS  26  -7.376  18.074  -3.526
  516    HD2  LYS  26           HD2      LYS  26  -5.045  17.797  -3.015
  517    HD3  LYS  26           HD3      LYS  26  -5.927  16.405  -2.384
  518    HE2  LYS  26           HE2      LYS  26  -5.190  15.025  -4.178
  519    HE3  LYS  26           HE3      LYS  26  -4.533  16.410  -5.051
  520    HZ1  LYS  26           HZ1      LYS  26  -2.956  14.885  -3.744
  521    HZ2  LYS  26           HZ2      LYS  26  -3.513  15.726  -2.372
  522    HZ3  LYS  26           HZ3      LYS  26  -2.752  16.565  -3.628
  523    H    PHE  27           H        PHE  27  -8.108  15.331  -0.687
  524    HA   PHE  27           HA       PHE  27  -6.592  12.835  -0.929
  525    HB2  PHE  27           HB2      PHE  27  -5.187  13.533   1.014
  526    HB3  PHE  27           HB3      PHE  27  -4.914  14.469  -0.447
  527    HD1  PHE  27           HD2      PHE  27  -6.923  14.585   2.700
  528    HD2  PHE  27           HD1      PHE  27  -4.793  16.745  -0.295
  529    HE1  PHE  27           HE2      PHE  27  -7.249  16.664   3.976
  530    HE2  PHE  27           HE1      PHE  27  -5.123  18.828   0.982
  531    HZ   PHE  27           HZ       PHE  27  -6.348  18.787   3.118
  532    H    LYS  28           H        LYS  28  -9.425  13.845  -0.116
  533    HA   LYS  28           HA       LYS  28  -9.561  12.165   2.300
  534    HB2  LYS  28           HB2      LYS  28  -9.703  14.677   2.778
  535    HB3  LYS  28           HB3      LYS  28 -11.226  14.665   1.902
  536    HG2  LYS  28           HG2      LYS  28 -11.879  14.498   4.112
  537    HG3  LYS  28           HG3      LYS  28 -11.915  12.819   3.561
  538    HD2  LYS  28           HD2      LYS  28 -10.836  12.856   5.693
  539    HD3  LYS  28           HD3      LYS  28  -9.599  12.566   4.460
  540    HE2  LYS  28           HE2      LYS  28  -8.889  14.860   4.552
  541    HE3  LYS  28           HE3      LYS  28 -10.224  15.282   5.621
  542    HZ1  LYS  28           HZ1      LYS  28  -9.227  13.697   7.259
  543    HZ2  LYS  28           HZ2      LYS  28  -8.301  15.082   6.950
  544    HZ3  LYS  28           HZ3      LYS  28  -7.857  13.604   6.255
  545    H    LEU  29           H        LEU  29 -10.842  10.486   1.920
  546    HA   LEU  29           HA       LEU  29 -12.999  10.820  -0.064
  547    HB2  LEU  29           HB2      LEU  29 -11.557   8.308   0.773
  548    HB3  LEU  29           HB3      LEU  29 -12.951   8.340  -0.286
  549    HG   LEU  29           HG       LEU  29 -11.405   9.979  -1.683
  550   HD11  LEU  29          HD11      LEU  29  -9.457   8.256  -0.169
  551   HD12  LEU  29          HD12      LEU  29  -9.070   9.213  -1.600
  552   HD13  LEU  29          HD13      LEU  29  -9.574  10.013  -0.112
  553   HD21  LEU  29          HD21      LEU  29 -12.388   7.919  -2.501
  554   HD22  LEU  29          HD22      LEU  29 -10.700   8.041  -2.999
  555   HD23  LEU  29          HD23      LEU  29 -11.152   6.976  -1.666
  556    H    ASN  30           H        ASN  30 -15.041  10.307   0.434
  557    HA   ASN  30           HA       ASN  30 -15.573   9.408   3.179
  558    HB2  ASN  30           HB2      ASN  30 -17.613  10.556   1.273
  559    HB3  ASN  30           HB3      ASN  30 -17.717  10.422   3.024
  560   HD21  ASN  30          HD21      ASN  30 -16.600  12.253   0.361
  561   HD22  ASN  30          HD22      ASN  30 -15.976  13.595   1.257
  562    H    LYS  31           H        LYS  31 -17.972   8.281   3.026
  563    HA   LYS  31           HA       LYS  31 -17.623   5.709   2.163
  564    HB2  LYS  31           HB2      LYS  31 -20.214   7.255   2.318
  565    HB3  LYS  31           HB3      LYS  31 -20.106   5.507   2.180
  566    HG2  LYS  31           HG2      LYS  31 -18.998   5.372   4.327
  567    HG3  LYS  31           HG3      LYS  31 -18.991   7.133   4.455
  568    HD2  LYS  31           HD2      LYS  31 -21.433   7.152   4.447
  569    HD3  LYS  31           HD3      LYS  31 -21.451   5.395   4.294
  570    HE2  LYS  31           HE2      LYS  31 -20.375   5.167   6.452
  571    HE3  LYS  31           HE3      LYS  31 -20.240   6.919   6.598
  572    HZ1  LYS  31           HZ1      LYS  31 -22.806   5.428   6.416
  573    HZ2  LYS  31           HZ2      LYS  31 -22.618   7.096   6.677
  574    HZ3  LYS  31           HZ3      LYS  31 -22.115   5.995   7.858
  575    H    SER  32           H        SER  32 -19.250   8.305   0.334
  576    HA   SER  32           HA       SER  32 -19.980   6.663  -1.844
  577    HB2  SER  32           HB2      SER  32 -21.015   8.875  -1.256
  578    HB3  SER  32           HB3      SER  32 -19.566   9.660  -1.883
  579    HG   SER  32           HG       SER  32 -20.046   8.951  -3.917
  580    H    GLU  33           H        GLU  33 -17.123   8.614  -1.204
  581    HA   GLU  33           HA       GLU  33 -16.148   8.605  -3.872
  582    HB2  GLU  33           HB2      GLU  33 -14.618   9.037  -1.298
  583    HB3  GLU  33           HB3      GLU  33 -14.113   9.523  -2.917
  584    HG2  GLU  33           HG2      GLU  33 -16.496  10.584  -1.419
  585    HG3  GLU  33           HG3      GLU  33 -14.959  11.415  -1.653
  586    H    LEU  34           H        LEU  34 -15.364   6.781  -0.952
  587    HA   LEU  34           HA       LEU  34 -13.443   5.108  -2.144
  588    HB2  LEU  34           HB2      LEU  34 -15.118   4.978   0.318
  589    HB3  LEU  34           HB3      LEU  34 -14.266   3.536  -0.204
  590    HG   LEU  34           HG       LEU  34 -12.931   6.184   0.315
  591   HD11  LEU  34          HD11      LEU  34 -12.092   5.082   2.359
  592   HD12  LEU  34          HD12      LEU  34 -13.839   5.350   2.366
  593   HD13  LEU  34          HD13      LEU  34 -13.195   3.738   2.048
  594   HD21  LEU  34          HD21      LEU  34 -10.886   4.863   0.231
  595   HD22  LEU  34          HD22      LEU  34 -11.828   3.411  -0.121
  596   HD23  LEU  34          HD23      LEU  34 -11.787   4.740  -1.282
  597    H    LYS  35           H        LYS  35 -16.945   4.755  -1.677
  598    HA   LYS  35           HA       LYS  35 -17.187   2.174  -2.673
  599    HB2  LYS  35           HB2      LYS  35 -19.055   3.392  -1.603
  600    HB3  LYS  35           HB3      LYS  35 -19.176   4.426  -3.022
  601    HG2  LYS  35           HG2      LYS  35 -19.936   2.673  -4.378
  602    HG3  LYS  35           HG3      LYS  35 -19.433   1.443  -3.219
  603    HD2  LYS  35           HD2      LYS  35 -21.807   1.622  -3.092
  604    HD3  LYS  35           HD3      LYS  35 -21.147   2.368  -1.635
  605    HE2  LYS  35           HE2      LYS  35 -21.375   4.579  -2.727
  606    HE3  LYS  35           HE3      LYS  35 -22.137   3.775  -4.100
  607    HZ1  LYS  35           HZ1      LYS  35 -23.159   3.711  -1.310
  608    HZ2  LYS  35           HZ2      LYS  35 -23.913   3.032  -2.672
  609    HZ3  LYS  35           HZ3      LYS  35 -23.759   4.718  -2.537
  610    H    GLU  36           H        GLU  36 -17.396   5.252  -4.439
  611    HA   GLU  36           HA       GLU  36 -17.797   4.127  -6.971
  612    HB2  GLU  36           HB2      GLU  36 -17.864   6.609  -6.129
  613    HB3  GLU  36           HB3      GLU  36 -16.180   6.616  -6.636
  614    HG2  GLU  36           HG2      GLU  36 -16.884   5.900  -8.882
  615    HG3  GLU  36           HG3      GLU  36 -18.563   5.997  -8.356
  616    H    LEU  37           H        LEU  37 -14.829   5.065  -5.298
  617    HA   LEU  37           HA       LEU  37 -12.936   4.418  -7.213
  618    HB2  LEU  37           HB2      LEU  37 -12.671   5.528  -4.934
  619    HB3  LEU  37           HB3      LEU  37 -12.624   3.908  -4.267
  620    HG   LEU  37           HG       LEU  37 -10.709   4.347  -6.446
  621   HD11  LEU  37          HD11      LEU  37  -9.187   5.691  -5.091
  622   HD12  LEU  37          HD12      LEU  37 -10.676   6.572  -5.435
  623   HD13  LEU  37          HD13      LEU  37 -10.424   5.848  -3.845
  624   HD21  LEU  37          HD21      LEU  37 -10.732   2.344  -5.048
  625   HD22  LEU  37          HD22      LEU  37  -9.222   3.235  -4.857
  626   HD23  LEU  37          HD23      LEU  37 -10.468   3.337  -3.614
  627    H    LEU  38           H        LEU  38 -14.247   2.312  -4.664
  628    HA   LEU  38           HA       LEU  38 -12.865   0.013  -5.575
  629    HB2  LEU  38           HB2      LEU  38 -15.135   0.462  -3.678
  630    HB3  LEU  38           HB3      LEU  38 -14.685  -1.167  -4.144
  631    HG   LEU  38           HG       LEU  38 -12.290   0.115  -3.391
  632   HD11  LEU  38          HD11      LEU  38 -12.769   0.804  -1.099
  633   HD12  LEU  38          HD12      LEU  38 -13.602   1.825  -2.271
  634   HD13  LEU  38          HD13      LEU  38 -14.493   0.583  -1.394
  635   HD21  LEU  38          HD21      LEU  38 -12.790  -2.250  -3.141
  636   HD22  LEU  38          HD22      LEU  38 -12.312  -1.548  -1.595
  637   HD23  LEU  38          HD23      LEU  38 -14.012  -1.878  -1.925
  638    H    THR  39           H        THR  39 -16.178   1.160  -6.102
  639    HA   THR  39           HA       THR  39 -17.141  -1.094  -7.464
  640    HB   THR  39           HB       THR  39 -18.818   0.417  -8.529
  641    HG1  THR  39           HG1      THR  39 -16.995   2.301  -7.801
  642   HG21  THR  39          HG21      THR  39 -19.197  -0.521  -6.288
  643   HG22  THR  39          HG22      THR  39 -19.936   1.068  -6.477
  644   HG23  THR  39          HG23      THR  39 -18.426   0.900  -5.581
  645    H    ARG  40           H        ARG  40 -15.130   1.515  -8.557
  646    HA   ARG  40           HA       ARG  40 -15.465   0.791 -11.348
  647    HB2  ARG  40           HB2      ARG  40 -13.810   2.924  -9.994
  648    HB3  ARG  40           HB3      ARG  40 -13.870   2.682 -11.734
  649    HG2  ARG  40           HG2      ARG  40 -16.229   3.370  -9.992
  650    HG3  ARG  40           HG3      ARG  40 -15.319   4.512 -10.981
  651    HD2  ARG  40           HD2      ARG  40 -16.813   2.108 -12.014
  652    HD3  ARG  40           HD3      ARG  40 -17.398   3.770 -12.065
  653    HE   ARG  40           HE       ARG  40 -15.050   3.968 -13.349
  654   HH11  ARG  40          HH12      ARG  40 -17.748   1.773 -13.708
  655   HH12  ARG  40          HH11      ARG  40 -17.475   1.498 -15.402
  656   HH21  ARG  40          HH22      ARG  40 -14.681   3.623 -15.588
  657   HH22  ARG  40          HH21      ARG  40 -15.720   2.542 -16.472
  658    H    GLU  41           H        GLU  41 -12.703   1.132  -9.103
  659    HA   GLU  41           HA       GLU  41 -11.145  -0.432 -11.016
  660    HB2  GLU  41           HB2      GLU  41 -10.448   1.700  -9.064
  661    HB3  GLU  41           HB3      GLU  41  -9.206   0.562  -9.585
  662    HG2  GLU  41           HG2      GLU  41  -9.374   1.208 -11.802
  663    HG3  GLU  41           HG3      GLU  41 -10.926   2.000 -11.563
  664    H    LEU  42           H        LEU  42 -12.618  -0.919  -8.016
  665    HA   LEU  42           HA       LEU  42 -10.824  -3.229  -7.612
  666    HB2  LEU  42           HB2      LEU  42 -12.207  -1.678  -5.419
  667    HB3  LEU  42           HB3      LEU  42 -11.225  -3.110  -5.197
  668    HG   LEU  42           HG       LEU  42  -9.336  -1.670  -6.264
  669   HD11  LEU  42          HD11      LEU  42 -10.610   0.226  -6.962
  670   HD12  LEU  42          HD12      LEU  42 -11.304   0.439  -5.351
  671   HD13  LEU  42          HD13      LEU  42  -9.576   0.727  -5.616
  672   HD21  LEU  42          HD21      LEU  42 -10.359  -1.167  -3.472
  673   HD22  LEU  42          HD22      LEU  42  -9.352  -2.523  -3.978
  674   HD23  LEU  42          HD23      LEU  42  -8.714  -0.880  -4.041
  675    HA   PRO  43           HA       PRO  43 -15.524  -4.173  -7.647
  676    HB2  PRO  43           HB2      PRO  43 -15.355  -5.397 -10.269
  677    HB3  PRO  43           HB3      PRO  43 -16.379  -4.065  -9.735
  678    HG2  PRO  43           HG2      PRO  43 -14.318  -3.769 -11.495
  679    HG3  PRO  43           HG3      PRO  43 -14.896  -2.475 -10.430
  680    HD2  PRO  43           HD2      PRO  43 -12.506  -4.250 -10.138
  681    HD3  PRO  43           HD3      PRO  43 -12.684  -2.521  -9.763
  682    H    SER  44           H        SER  44 -12.713  -5.880  -8.735
  683    HA   SER  44           HA       SER  44 -13.671  -8.519  -8.378
  684    HB2  SER  44           HB2      SER  44 -10.813  -7.543  -8.111
  685    HB3  SER  44           HB3      SER  44 -11.351  -9.170  -8.531
  686    HG   SER  44           HG       SER  44 -11.054  -6.947 -10.120
  687    H    PHE  45           H        PHE  45 -12.625  -6.020  -6.260
  688    HA   PHE  45           HA       PHE  45 -12.347  -7.850  -3.991
  689    HB2  PHE  45           HB2      PHE  45 -11.756  -4.888  -4.193
  690    HB3  PHE  45           HB3      PHE  45 -11.427  -5.907  -2.796
  691    HD1  PHE  45           HD2      PHE  45  -9.781  -7.807  -3.057
  692    HD2  PHE  45           HD1      PHE  45 -10.221  -4.714  -5.946
  693    HE1  PHE  45           HE2      PHE  45  -7.573  -8.368  -3.986
  694    HE2  PHE  45           HE1      PHE  45  -8.015  -5.268  -6.883
  695    HZ   PHE  45           HZ       PHE  45  -6.689  -7.097  -5.902
  696    H    LEU  46           H        LEU  46 -14.811  -6.539  -5.496
  697    HA   LEU  46           HA       LEU  46 -16.297  -6.162  -2.981
  698    HB2  LEU  46           HB2      LEU  46 -17.089  -5.080  -5.685
  699    HB3  LEU  46           HB3      LEU  46 -17.908  -4.786  -4.150
  700    HG   LEU  46           HG       LEU  46 -15.133  -3.819  -4.882
  701   HD11  LEU  46          HD11      LEU  46 -16.882  -2.674  -6.120
  702   HD12  LEU  46          HD12      LEU  46 -17.746  -2.347  -4.618
  703   HD13  LEU  46          HD13      LEU  46 -16.170  -1.611  -4.907
  704   HD21  LEU  46          HD21      LEU  46 -16.826  -3.422  -2.414
  705   HD22  LEU  46          HD22      LEU  46 -15.251  -4.211  -2.515
  706   HD23  LEU  46          HD23      LEU  46 -15.385  -2.471  -2.797
  707    H    GLY  47           H        GLY  47 -16.106  -7.715  -6.077
  708    HA2  GLY  47           HA2      GLY  47 -16.833  -9.847  -6.596
  709    HA3  GLY  47           HA3      GLY  47 -17.725  -9.884  -5.084
  710    H    LYS  48           H        LYS  48 -19.204  -7.468  -5.546
  711    HA   LYS  48           HA       LYS  48 -20.513  -7.085  -7.892
  712    HB2  LYS  48           HB2      LYS  48 -21.138  -9.463  -7.924
  713    HB3  LYS  48           HB3      LYS  48 -21.907  -9.287  -6.353
  714    HG2  LYS  48           HG2      LYS  48 -23.556  -9.313  -8.137
  715    HG3  LYS  48           HG3      LYS  48 -23.542  -7.751  -7.314
  716    HD2  LYS  48           HD2      LYS  48 -22.160  -6.828  -9.126
  717    HD3  LYS  48           HD3      LYS  48 -22.214  -8.386  -9.950
  718    HE2  LYS  48           HE2      LYS  48 -23.840  -6.839 -10.903
  719    HE3  LYS  48           HE3      LYS  48 -24.643  -8.207 -10.138
  720    HZ1  LYS  48           HZ1      LYS  48 -25.230  -6.876  -8.283
  721    HZ2  LYS  48           HZ2      LYS  48 -25.650  -5.989  -9.667
  722    HZ3  LYS  48           HZ3      LYS  48 -24.252  -5.588  -8.797
  723    H    ARG  49           H        ARG  49 -21.855  -8.042  -4.757
  724    HA   ARG  49           HA       ARG  49 -23.655  -5.788  -4.869
  725    HB2  ARG  49           HB2      ARG  49 -24.625  -6.819  -2.798
  726    HB3  ARG  49           HB3      ARG  49 -24.618  -7.870  -4.209
  727    HG2  ARG  49           HG2      ARG  49 -22.717  -9.077  -3.365
  728    HG3  ARG  49           HG3      ARG  49 -22.557  -7.953  -2.016
  729    HD2  ARG  49           HD2      ARG  49 -23.618  -9.906  -1.185
  730    HD3  ARG  49           HD3      ARG  49 -24.847  -8.646  -1.288
  731    HE   ARG  49           HE       ARG  49 -24.900 -10.115  -3.673
  732   HH11  ARG  49          HH12      ARG  49 -25.582 -10.526  -0.264
  733   HH12  ARG  49          HH11      ARG  49 -26.778 -11.765  -0.517
  734   HH21  ARG  49          HH22      ARG  49 -26.483 -11.730  -4.017
  735   HH22  ARG  49          HH21      ARG  49 -27.276 -12.457  -2.657
  736    H    THR  50           H        THR  50 -22.134  -4.050  -4.593
  737    HA   THR  50           HA       THR  50 -21.277  -3.838  -1.795
  738    HB   THR  50           HB       THR  50 -19.897  -1.837  -3.015
  739    HG1  THR  50           HG1      THR  50 -20.153  -4.061  -4.786
  740   HG21  THR  50          HG21      THR  50 -19.105  -4.708  -2.520
  741   HG22  THR  50          HG22      THR  50 -19.122  -3.410  -1.326
  742   HG23  THR  50          HG23      THR  50 -17.994  -3.350  -2.679
  743    H    ASP  51           H        ASP  51 -22.897  -2.986  -0.853
  744    HA   ASP  51           HA       ASP  51 -23.692  -0.271  -1.681
  745    HB2  ASP  51           HB2      ASP  51 -25.183  -2.393  -0.146
  746    HB3  ASP  51           HB3      ASP  51 -25.639  -0.696  -0.039
  747    H    GLU  52           H        GLU  52 -24.679   0.638   0.725
  748    HA   GLU  52           HA       GLU  52 -22.333   1.436   2.063
  749    HB2  GLU  52           HB2      GLU  52 -25.155   1.529   3.141
  750    HB3  GLU  52           HB3      GLU  52 -23.802   2.540   3.628
  751    HG2  GLU  52           HG2      GLU  52 -25.025   2.531   0.882
  752    HG3  GLU  52           HG3      GLU  52 -25.426   3.682   2.155
  753    H    ALA  53           H        ALA  53 -24.304  -1.334   2.355
  754    HA   ALA  53           HA       ALA  53 -23.918  -2.056   5.033
  755    HB1  ALA  53           HB1      ALA  53 -24.525  -4.309   4.331
  756    HB2  ALA  53           HB2      ALA  53 -25.579  -3.108   3.583
  757    HB3  ALA  53           HB3      ALA  53 -24.288  -3.856   2.643
  758    H    ALA  54           H        ALA  54 -22.110  -3.148   2.134
  759    HA   ALA  54           HA       ALA  54 -20.166  -4.585   3.624
  760    HB1  ALA  54           HB1      ALA  54 -18.868  -4.612   1.517
  761    HB2  ALA  54           HB2      ALA  54 -20.549  -5.114   1.290
  762    HB3  ALA  54           HB3      ALA  54 -20.039  -3.495   0.811
  763    H    PHE  55           H        PHE  55 -20.437  -1.295   2.530
  764    HA   PHE  55           HA       PHE  55 -17.692  -0.663   2.959
  765    HB2  PHE  55           HB2      PHE  55 -20.124   0.869   2.176
  766    HB3  PHE  55           HB3      PHE  55 -18.699   1.756   2.718
  767    HD1  PHE  55           HD2      PHE  55 -19.861  -0.778   0.276
  768    HD2  PHE  55           HD1      PHE  55 -16.863   2.055   1.310
  769    HE1  PHE  55           HE2      PHE  55 -18.801  -1.106  -1.920
  770    HE2  PHE  55           HE1      PHE  55 -15.798   1.728  -0.881
  771    HZ   PHE  55           HZ       PHE  55 -16.767   0.148  -2.499
  772    H    GLN  56           H        GLN  56 -20.369  -0.907   5.036
  773    HA   GLN  56           HA       GLN  56 -19.848   0.992   6.983
  774    HB2  GLN  56           HB2      GLN  56 -21.819  -0.509   6.964
  775    HB3  GLN  56           HB3      GLN  56 -20.782  -1.846   7.444
  776    HG2  GLN  56           HG2      GLN  56 -20.231  -0.645   9.520
  777    HG3  GLN  56           HG3      GLN  56 -21.335   0.642   9.042
  778   HE21  GLN  56          HE21      GLN  56 -23.262  -1.243   7.889
  779   HE22  GLN  56          HE22      GLN  56 -24.051  -1.986   9.235
  780    H    LYS  57           H        LYS  57 -18.462  -2.299   6.704
  781    HA   LYS  57           HA       LYS  57 -16.770  -1.882   8.993
  782    HB2  LYS  57           HB2      LYS  57 -17.383  -4.108   7.187
  783    HB3  LYS  57           HB3      LYS  57 -15.709  -4.058   7.709
  784    HG2  LYS  57           HG2      LYS  57 -17.946  -3.882   9.689
  785    HG3  LYS  57           HG3      LYS  57 -17.397  -5.435   9.065
  786    HD2  LYS  57           HD2      LYS  57 -16.161  -5.197  11.016
  787    HD3  LYS  57           HD3      LYS  57 -15.038  -4.630   9.778
  788    HE2  LYS  57           HE2      LYS  57 -15.528  -2.337  10.323
  789    HE3  LYS  57           HE3      LYS  57 -16.788  -2.832  11.453
  790    HZ1  LYS  57           HZ1      LYS  57 -14.837  -2.304  12.690
  791    HZ2  LYS  57           HZ2      LYS  57 -13.865  -3.287  11.712
  792    HZ3  LYS  57           HZ3      LYS  57 -15.021  -3.992  12.734
  793    H    LEU  58           H        LEU  58 -16.427  -1.781   5.501
  794    HA   LEU  58           HA       LEU  58 -13.644  -1.610   5.315
  795    HB2  LEU  58           HB2      LEU  58 -15.028  -1.872   3.347
  796    HB3  LEU  58           HB3      LEU  58 -15.788  -0.315   3.627
  797    HG   LEU  58           HG       LEU  58 -13.768   0.856   3.090
  798   HD11  LEU  58          HD11      LEU  58 -12.194  -0.679   4.141
  799   HD12  LEU  58          HD12      LEU  58 -12.457  -1.851   2.851
  800   HD13  LEU  58          HD13      LEU  58 -11.709  -0.294   2.491
  801   HD21  LEU  58          HD21      LEU  58 -14.982   0.389   1.147
  802   HD22  LEU  58          HD22      LEU  58 -13.329  -0.084   0.757
  803   HD23  LEU  58          HD23      LEU  58 -14.531  -1.313   1.155
  804    H    MET  59           H        MET  59 -15.864   1.119   5.053
  805    HA   MET  59           HA       MET  59 -14.265   3.248   5.456
  806    HB2  MET  59           HB2      MET  59 -16.919   2.907   5.301
  807    HB3  MET  59           HB3      MET  59 -16.789   3.255   7.020
  808    HG2  MET  59           HG2      MET  59 -17.214   5.294   5.897
  809    HG3  MET  59           HG3      MET  59 -15.531   5.316   6.431
  810    HE1  MET  59           HE1      MET  59 -14.320   6.946   3.367
  811    HE2  MET  59           HE2      MET  59 -15.529   7.467   4.546
  812    HE3  MET  59           HE3      MET  59 -14.105   6.570   5.076
  813    H    SER  60           H        SER  60 -15.610   1.210   8.012
  814    HA   SER  60           HA       SER  60 -14.758   2.841  10.177
  815    HB2  SER  60           HB2      SER  60 -16.634   1.153  10.196
  816    HB3  SER  60           HB3      SER  60 -15.389  -0.100  10.226
  817    HG   SER  60           HG       SER  60 -16.038   1.825  12.193
  818    H    ASN  61           H        ASN  61 -13.546  -0.229   8.853
  819    HA   ASN  61           HA       ASN  61 -11.359  -0.490  10.647
  820    HB2  ASN  61           HB2      ASN  61 -12.000  -1.660   7.951
  821    HB3  ASN  61           HB3      ASN  61 -10.492  -2.022   8.778
  822   HD21  ASN  61          HD21      ASN  61 -12.606  -3.819   8.029
  823   HD22  ASN  61          HD22      ASN  61 -13.150  -4.569   9.495
  824    H    LEU  62           H        LEU  62 -11.800   0.859   7.477
  825    HA   LEU  62           HA       LEU  62  -9.165   1.549   6.860
  826    HB2  LEU  62           HB2      LEU  62 -11.595   1.785   5.646
  827    HB3  LEU  62           HB3      LEU  62 -11.220   3.462   6.009
  828    HG   LEU  62           HG       LEU  62  -9.191   3.354   4.756
  829   HD11  LEU  62          HD11      LEU  62  -8.325   1.252   5.253
  830   HD12  LEU  62          HD12      LEU  62  -9.799   0.427   4.734
  831   HD13  LEU  62          HD13      LEU  62  -8.729   1.158   3.539
  832   HD21  LEU  62          HD21      LEU  62 -11.398   1.976   3.233
  833   HD22  LEU  62          HD22      LEU  62 -11.243   3.717   3.467
  834   HD23  LEU  62          HD23      LEU  62 -10.033   2.843   2.528
  835    H    ASP  63           H        ASP  63 -11.706   3.746   8.021
  836    HA   ASP  63           HA       ASP  63  -9.962   5.878   8.618
  837    HB2  ASP  63           HB2      ASP  63 -12.470   6.022   8.310
  838    HB3  ASP  63           HB3      ASP  63 -12.639   5.310   9.909
  839    H    SER  64           H        SER  64  -8.388   5.784  10.094
  840    HA   SER  64           HA       SER  64  -8.333   3.647  11.984
  841    HB2  SER  64           HB2      SER  64  -6.110   4.420  12.491
  842    HB3  SER  64           HB3      SER  64  -6.348   4.553  10.754
  843    HG   SER  64           HG       SER  64  -6.582   6.726  10.913
  844    H    ASN  65           H        ASN  65  -9.565   6.826  12.097
  845    HA   ASN  65           HA       ASN  65  -9.644   6.683  15.036
  846    HB2  ASN  65           HB2      ASN  65 -10.275   9.171  14.854
  847    HB3  ASN  65           HB3      ASN  65  -8.603   8.715  14.540
  848   HD21  ASN  65          HD21      ASN  65 -11.557   9.927  13.167
  849   HD22  ASN  65          HD22      ASN  65 -10.886  10.365  11.625
  850    H    ARG  66           H        ARG  66 -11.410   6.050  12.370
  851    HA   ARG  66           HA       ARG  66 -13.548   5.457  11.997
  852    HB2  ARG  66           HB2      ARG  66 -13.500   5.305  14.998
  853    HB3  ARG  66           HB3      ARG  66 -14.965   4.952  14.091
  854    HG2  ARG  66           HG2      ARG  66 -14.001   2.866  14.426
  855    HG3  ARG  66           HG3      ARG  66 -13.525   3.283  12.781
  856    HD2  ARG  66           HD2      ARG  66 -11.459   4.321  14.197
  857    HD3  ARG  66           HD3      ARG  66 -11.889   2.933  15.197
  858    HE   ARG  66           HE       ARG  66 -11.706   2.260  12.424
  859   HH11  ARG  66          HH12      ARG  66  -9.834   2.712  15.354
  860   HH12  ARG  66          HH11      ARG  66  -8.447   1.858  14.748
  861   HH21  ARG  66          HH22      ARG  66  -9.870   1.152  11.631
  862   HH22  ARG  66          HH21      ARG  66  -8.479   0.967  12.648
  863    H    ASP  67           H        ASP  67 -13.300   8.015  11.469
  864    HA   ASP  67           HA       ASP  67 -15.753   9.207  12.594
  865    HB2  ASP  67           HB2      ASP  67 -13.261  10.451  11.482
  866    HB3  ASP  67           HB3      ASP  67 -14.784  11.335  11.427
  867    H    ASN  68           H        ASN  68 -14.704   7.462  10.080
  868    HA   ASN  68           HA       ASN  68 -15.635   6.833   8.120
  869    HB2  ASN  68           HB2      ASN  68 -17.827   8.713   8.992
  870    HB3  ASN  68           HB3      ASN  68 -17.892   7.815   7.477
  871   HD21  ASN  68          HD21      ASN  68 -19.607   7.664   9.848
  872   HD22  ASN  68          HD22      ASN  68 -19.539   6.010  10.368
  873    H    GLU  69           H        GLU  69 -13.769   9.067   8.398
  874    HA   GLU  69           HA       GLU  69 -14.140  10.146   5.687
  875    HB2  GLU  69           HB2      GLU  69 -13.142  11.688   8.094
  876    HB3  GLU  69           HB3      GLU  69 -13.034  12.258   6.436
  877    HG2  GLU  69           HG2      GLU  69 -15.473  12.252   6.274
  878    HG3  GLU  69           HG3      GLU  69 -15.576  11.683   7.942
  879    H    VAL  70           H        VAL  70 -12.637   8.942   4.638
  880    HA   VAL  70           HA       VAL  70 -10.259   8.064   5.979
  881    HB   VAL  70           HB       VAL  70 -11.168   7.727   3.132
  882   HG11  VAL  70          HG11      VAL  70  -8.708   6.585   4.435
  883   HG12  VAL  70          HG12      VAL  70  -9.327   6.149   2.841
  884   HG13  VAL  70          HG13      VAL  70  -8.740   7.784   3.142
  885   HG21  VAL  70          HG21      VAL  70 -12.423   6.468   4.786
  886   HG22  VAL  70          HG22      VAL  70 -11.428   5.386   3.811
  887   HG23  VAL  70          HG23      VAL  70 -10.920   5.817   5.444
  888    H    ASP  71           H        ASP  71  -8.777   9.454   6.411
  889    HA   ASP  71           HA       ASP  71  -7.914  11.546   4.654
  890    HB2  ASP  71           HB2      ASP  71  -7.724  11.618   7.152
  891    HB3  ASP  71           HB3      ASP  71  -6.524  10.330   7.063
  892    H    PHE  72           H        PHE  72  -5.339  11.493   4.254
  893    HA   PHE  72           HA       PHE  72  -4.872   9.705   2.191
  894    HB2  PHE  72           HB2      PHE  72  -3.589  11.801   2.626
  895    HB3  PHE  72           HB3      PHE  72  -2.733  10.957   3.920
  896    HD1  PHE  72           HD1      PHE  72  -1.605   8.739   3.276
  897    HD2  PHE  72           HD2      PHE  72  -2.762  11.713   0.475
  898    HE1  PHE  72           HE1      PHE  72  -0.089   7.761   1.636
  899    HE2  PHE  72           HE2      PHE  72  -1.227  10.751  -1.178
  900    HZ   PHE  72           HZ       PHE  72   0.120   8.759  -0.585
  901    H    GLN  73           H        GLN  73  -3.741   9.474   5.546
  902    HA   GLN  73           HA       GLN  73  -2.187   7.175   5.108
  903    HB2  GLN  73           HB2      GLN  73  -3.262   8.297   7.693
  904    HB3  GLN  73           HB3      GLN  73  -2.049   7.028   7.570
  905    HG2  GLN  73           HG2      GLN  73  -0.670   8.675   6.231
  906    HG3  GLN  73           HG3      GLN  73  -1.816   9.905   6.756
  907   HE21  GLN  73          HE21      GLN  73  -0.873   7.198   8.742
  908   HE22  GLN  73          HE22      GLN  73   0.032   8.108   9.893
  909    H    GLU  74           H        GLU  74  -5.590   7.560   5.810
  910    HA   GLU  74           HA       GLU  74  -5.896   4.851   6.745
  911    HB2  GLU  74           HB2      GLU  74  -8.257   6.193   5.603
  912    HB3  GLU  74           HB3      GLU  74  -8.060   5.402   7.159
  913    HG2  GLU  74           HG2      GLU  74  -7.088   8.167   6.480
  914    HG3  GLU  74           HG3      GLU  74  -8.570   7.792   7.351
  915    H    TYR  75           H        TYR  75  -5.456   6.432   3.842
  916    HA   TYR  75           HA       TYR  75  -6.835   4.488   2.183
  917    HB2  TYR  75           HB2      TYR  75  -6.836   6.968   1.746
  918    HB3  TYR  75           HB3      TYR  75  -5.129   6.841   1.360
  919    HD1  TYR  75           HD1      TYR  75  -4.556   5.059  -0.501
  920    HD2  TYR  75           HD2      TYR  75  -8.371   6.865   0.059
  921    HE1  TYR  75           HE1      TYR  75  -5.121   4.543  -2.838
  922    HE2  TYR  75           HE2      TYR  75  -8.951   6.343  -2.290
  923    HH   TYR  75           HH       TYR  75  -7.133   4.216  -4.207
  924    H    CYS  76           H        CYS  76  -3.517   5.403   3.074
  925    HA   CYS  76           HA       CYS  76  -2.201   3.748   1.190
  926    HB2  CYS  76           HB2      CYS  76  -0.223   3.955   2.545
  927    HB3  CYS  76           HB3      CYS  76  -1.046   5.493   2.591
  928    HG   CYS  76           HG       CYS  76  -0.215   3.487   5.078
  929    H    VAL  77           H        VAL  77  -3.476   3.195   4.396
  930    HA   VAL  77           HA       VAL  77  -2.520   0.492   4.475
  931    HB   VAL  77           HB       VAL  77  -3.745   0.346   6.618
  932   HG11  VAL  77          HG11      VAL  77  -1.974   2.755   6.241
  933   HG12  VAL  77          HG12      VAL  77  -2.317   1.968   7.783
  934   HG13  VAL  77          HG13      VAL  77  -1.442   1.097   6.524
  935   HG21  VAL  77          HG21      VAL  77  -5.561   1.966   6.002
  936   HG22  VAL  77          HG22      VAL  77  -4.822   2.256   7.578
  937   HG23  VAL  77          HG23      VAL  77  -4.383   3.268   6.201
  938    H    PHE  78           H        PHE  78  -5.340   2.099   3.326
  939    HA   PHE  78           HA       PHE  78  -7.167   0.027   3.201
  940    HB2  PHE  78           HB2      PHE  78  -7.613   2.329   2.378
  941    HB3  PHE  78           HB3      PHE  78  -6.478   2.078   1.064
  942    HD1  PHE  78           HD2      PHE  78  -9.294  -0.056   2.321
  943    HD2  PHE  78           HD1      PHE  78  -7.570   2.175  -0.861
  944    HE1  PHE  78           HE2      PHE  78 -11.105  -0.805   0.817
  945    HE2  PHE  78           HE1      PHE  78  -9.359   1.449  -2.359
  946    HZ   PHE  78           HZ       PHE  78 -11.139  -0.040  -1.525
  947    H    LEU  79           H        LEU  79  -4.907   0.933   0.652
  948    HA   LEU  79           HA       LEU  79  -5.400  -1.427  -0.803
  949    HB2  LEU  79           HB2      LEU  79  -3.326   0.722  -1.068
  950    HB3  LEU  79           HB3      LEU  79  -3.530  -0.584  -2.234
  951    HG   LEU  79           HG       LEU  79  -5.561   1.511  -1.487
  952   HD11  LEU  79          HD11      LEU  79  -3.927   2.383  -2.976
  953   HD12  LEU  79          HD12      LEU  79  -4.022   0.954  -4.008
  954   HD13  LEU  79          HD13      LEU  79  -5.393   2.058  -3.901
  955   HD21  LEU  79          HD21      LEU  79  -7.034   0.407  -3.075
  956   HD22  LEU  79          HD22      LEU  79  -5.820  -0.846  -3.344
  957   HD23  LEU  79          HD23      LEU  79  -6.586  -0.689  -1.763
  958    H    SER  80           H        SER  80  -2.635  -0.454   1.198
  959    HA   SER  80           HA       SER  80  -1.016  -2.602   0.386
  960    HB2  SER  80           HB2      SER  80  -0.957  -1.151   3.031
  961    HB3  SER  80           HB3      SER  80   0.374  -2.030   2.271
  962    HG   SER  80           HG       SER  80  -0.771   0.438   1.576
  963    H    CYS  81           H        CYS  81  -3.498  -2.293   2.835
  964    HA   CYS  81           HA       CYS  81  -3.022  -4.939   3.854
  965    HB2  CYS  81           HB2      CYS  81  -5.208  -2.933   4.357
  966    HB3  CYS  81           HB3      CYS  81  -5.127  -4.512   5.145
  967    HG   CYS  81           HG       CYS  81  -2.898  -1.938   5.446
  968    H    ILE  82           H        ILE  82  -4.762  -3.586   1.215
  969    HA   ILE  82           HA       ILE  82  -6.516  -5.892   1.003
  970    HB   ILE  82           HB       ILE  82  -6.060  -3.856  -1.190
  971   HG12  ILE  82          HG12      ILE  82  -8.091  -3.865   1.046
  972   HG13  ILE  82          HG13      ILE  82  -6.837  -2.659   0.762
  973   HG21  ILE  82          HG21      ILE  82  -8.472  -5.574  -0.614
  974   HG22  ILE  82          HG22      ILE  82  -8.125  -4.646  -2.075
  975   HG23  ILE  82          HG23      ILE  82  -7.168  -6.083  -1.698
  976   HD11  ILE  82          HD11      ILE  82  -7.910  -1.858  -1.169
  977   HD12  ILE  82          HD12      ILE  82  -9.012  -3.237  -1.213
  978   HD13  ILE  82          HD13      ILE  82  -9.159  -2.033   0.065
  979    H    ALA  83           H        ALA  83  -3.291  -4.930  -0.154
  980    HA   ALA  83           HA       ALA  83  -2.857  -7.059  -1.902
  981    HB1  ALA  83           HB1      ALA  83  -1.020  -6.099   0.276
  982    HB2  ALA  83           HB2      ALA  83  -0.557  -7.054  -1.132
  983    HB3  ALA  83           HB3      ALA  83  -1.150  -5.409  -1.342
  984    H    MET  84           H        MET  84  -2.315  -7.020   1.595
  985    HA   MET  84           HA       MET  84  -1.928  -9.739   1.993
  986    HB2  MET  84           HB2      MET  84  -3.173  -7.679   3.808
  987    HB3  MET  84           HB3      MET  84  -2.800  -9.318   4.324
  988    HG2  MET  84           HG2      MET  84  -0.442  -8.939   3.815
  989    HG3  MET  84           HG3      MET  84  -0.820  -7.291   3.316
  990    HE1  MET  84           HE1      MET  84  -1.531  -5.351   4.983
  991    HE2  MET  84           HE2      MET  84  -2.951  -6.339   5.326
  992    HE3  MET  84           HE3      MET  84  -2.006  -5.658   6.654
  993    H    MET  85           H        MET  85  -4.903  -7.881   1.852
  994    HA   MET  85           HA       MET  85  -6.632 -10.059   2.405
  995    HB2  MET  85           HB2      MET  85  -7.229  -7.640   2.715
  996    HB3  MET  85           HB3      MET  85  -7.264  -7.479   0.959
  997    HG2  MET  85           HG2      MET  85  -8.899  -9.679   1.947
  998    HG3  MET  85           HG3      MET  85  -9.397  -8.090   2.527
  999    HE1  MET  85           HE1      MET  85 -10.772  -6.264  -0.410
 1000    HE2  MET  85           HE2      MET  85 -11.051  -6.702   1.278
 1001    HE3  MET  85           HE3      MET  85  -9.496  -5.987   0.795
 1002    H    CYS  86           H        CYS  86  -5.363  -8.637  -0.587
 1003    HA   CYS  86           HA       CYS  86  -6.845 -10.183  -2.408
 1004    HB2  CYS  86           HB2      CYS  86  -5.574  -8.157  -3.024
 1005    HB3  CYS  86           HB3      CYS  86  -4.070  -9.015  -2.720
 1006    HG   CYS  86           HG       CYS  86  -4.006  -9.130  -5.352
 1007    H    ASN  87           H        ASN  87  -4.259 -11.057  -0.311
 1008    HA   ASN  87           HA       ASN  87  -3.236 -13.250  -1.789
 1009    HB2  ASN  87           HB2      ASN  87  -2.126 -12.257   0.224
 1010    HB3  ASN  87           HB3      ASN  87  -3.377 -12.986   1.225
 1011   HD21  ASN  87          HD21      ASN  87  -1.868 -14.215   2.350
 1012   HD22  ASN  87          HD22      ASN  87  -1.093 -15.594   1.638
 1013    H    GLU  88           H        GLU  88  -6.115 -12.749   0.053
 1014    HA   GLU  88           HA       GLU  88  -6.845 -15.507   0.298
 1015    HB2  GLU  88           HB2      GLU  88  -7.754 -13.398   1.567
 1016    HB3  GLU  88           HB3      GLU  88  -8.839 -13.266   0.189
 1017    HG2  GLU  88           HG2      GLU  88 -10.018 -14.455   1.830
 1018    HG3  GLU  88           HG3      GLU  88  -9.503 -15.654   0.642
 1019    H    PHE  89           H        PHE  89  -7.387 -12.910  -1.983
 1020    HA   PHE  89           HA       PHE  89  -9.093 -14.379  -3.746
 1021    HB2  PHE  89           HB2      PHE  89  -9.012 -11.869  -3.549
 1022    HB3  PHE  89           HB3      PHE  89  -7.438 -11.908  -4.330
 1023    HD1  PHE  89           HD1      PHE  89 -11.028 -12.621  -4.811
 1024    HD2  PHE  89           HD2      PHE  89  -7.245 -12.054  -6.676
 1025    HE1  PHE  89           HE1      PHE  89 -12.132 -12.505  -7.007
 1026    HE2  PHE  89           HE2      PHE  89  -8.342 -11.938  -8.876
 1027    HZ   PHE  89           HZ       PHE  89 -10.789 -12.163  -9.041
 1028    H    PHE  90           H        PHE  90  -5.696 -14.020  -3.274
 1029    HA   PHE  90           HA       PHE  90  -4.664 -14.906  -5.713
 1030    HB2  PHE  90           HB2      PHE  90  -3.373 -13.962  -3.759
 1031    HB3  PHE  90           HB3      PHE  90  -3.557 -15.514  -2.959
 1032    HD1  PHE  90           HD1      PHE  90  -2.425 -17.519  -3.892
 1033    HD2  PHE  90           HD2      PHE  90  -1.742 -13.609  -5.432
 1034    HE1  PHE  90           HE1      PHE  90  -0.350 -18.302  -4.960
 1035    HE2  PHE  90           HE2      PHE  90   0.334 -14.393  -6.504
 1036    HZ   PHE  90           HZ       PHE  90   1.026 -16.740  -6.269
 1037    H    GLU  91           H        GLU  91  -5.769 -16.695  -2.864
 1038    HA   GLU  91           HA       GLU  91  -5.489 -19.255  -4.126
 1039    HB2  GLU  91           HB2      GLU  91  -7.113 -18.440  -1.704
 1040    HB3  GLU  91           HB3      GLU  91  -6.793 -20.095  -2.205
 1041    HG2  GLU  91           HG2      GLU  91  -4.771 -18.073  -1.271
 1042    HG3  GLU  91           HG3      GLU  91  -5.327 -19.501  -0.399
 1043    H    GLY  92           H        GLY  92  -8.251 -17.155  -3.297
 1044    HA2  GLY  92           HA2      GLY  92 -10.055 -16.602  -4.619
 1045    HA3  GLY  92           HA3      GLY  92  -9.359 -17.570  -5.906
 1046    H    PHE  93           H        PHE  93 -10.361 -18.566  -2.639
 1047    HA   PHE  93           HA       PHE  93 -11.943 -20.650  -3.868
 1048    HB2  PHE  93           HB2      PHE  93 -12.144 -21.622  -1.649
 1049    HB3  PHE  93           HB3      PHE  93 -10.462 -21.248  -1.994
 1050    HD1  PHE  93           HD1      PHE  93  -9.600 -18.961  -1.057
 1051    HD2  PHE  93           HD2      PHE  93 -13.072 -20.983   0.350
 1052    HE1  PHE  93           HE1      PHE  93  -9.455 -17.730   1.068
 1053    HE2  PHE  93           HE2      PHE  93 -12.933 -19.751   2.475
 1054    HZ   PHE  93           HZ       PHE  93 -11.124 -18.121   2.834
 1055    HA   PRO  94           HA       PRO  94 -15.622 -18.221  -3.008
 1056    HB2  PRO  94           HB2      PRO  94 -17.051 -19.294  -5.094
 1057    HB3  PRO  94           HB3      PRO  94 -15.961 -17.918  -5.257
 1058    HG2  PRO  94           HG2      PRO  94 -15.660 -20.595  -6.306
 1059    HG3  PRO  94           HG3      PRO  94 -14.650 -19.172  -6.601
 1060    HD2  PRO  94           HD2      PRO  94 -14.205 -21.421  -4.772
 1061    HD3  PRO  94           HD3      PRO  94 -13.055 -20.205  -5.362
 1062    H    ASP  95           H        ASP  95 -15.513 -19.700  -1.128
 1063    HA   ASP  95           HA       ASP  95 -16.267 -21.305   0.274
 1064    HB2  ASP  95           HB2      ASP  95 -18.522 -20.556  -0.240
 1065    HB3  ASP  95           HB3      ASP  95 -18.543 -21.535  -1.706
 1066    H    LYS  96           H        LYS  96 -14.935 -22.962   0.364
 1067    HA   LYS  96           HA       LYS  96 -14.585 -24.654  -1.992
 1068    HB2  LYS  96           HB2      LYS  96 -12.607 -25.529  -0.812
 1069    HB3  LYS  96           HB3      LYS  96 -12.556 -23.779  -0.978
 1070    HG2  LYS  96           HG2      LYS  96 -13.268 -23.528   1.335
 1071    HG3  LYS  96           HG3      LYS  96 -13.360 -25.282   1.505
 1072    HD2  LYS  96           HD2      LYS  96 -10.958 -25.442   1.036
 1073    HD3  LYS  96           HD3      LYS  96 -10.874 -23.684   0.888
 1074    HE2  LYS  96           HE2      LYS  96 -11.573 -23.441   3.204
 1075    HE3  LYS  96           HE3      LYS  96 -11.724 -25.190   3.359
 1076    HZ1  LYS  96           HZ1      LYS  96  -9.218 -23.671   2.870
 1077    HZ2  LYS  96           HZ2      LYS  96  -9.331 -25.363   2.901
 1078    HZ3  LYS  96           HZ3      LYS  96  -9.661 -24.467   4.303
 1079    H    GLN  97           H        GLN  97 -14.714 -26.926  -1.890
 1080    HA   GLN  97           HA       GLN  97 -16.420 -27.895   0.296
 1081    HB2  GLN  97           HB2      GLN  97 -17.103 -29.697  -1.311
 1082    HB3  GLN  97           HB3      GLN  97 -17.572 -28.074  -1.797
 1083    HG2  GLN  97           HG2      GLN  97 -15.649 -28.004  -3.331
 1084    HG3  GLN  97           HG3      GLN  97 -15.247 -29.657  -2.872
 1085   HE21  GLN  97          HE21      GLN  97 -18.076 -30.436  -2.707
 1086   HE22  GLN  97          HE22      GLN  97 -18.620 -30.589  -4.343
 1087    HA   PRO  98           HA       PRO  98 -12.809 -30.174   1.720
 1088    HB2  PRO  98           HB2      PRO  98 -15.014 -31.565   3.172
 1089    HB3  PRO  98           HB3      PRO  98 -13.486 -30.926   3.791
 1090    HG2  PRO  98           HG2      PRO  98 -15.760 -29.624   4.232
 1091    HG3  PRO  98           HG3      PRO  98 -14.272 -28.738   3.847
 1092    HD2  PRO  98           HD2      PRO  98 -16.631 -29.334   2.111
 1093    HD3  PRO  98           HD3      PRO  98 -15.615 -27.877   2.178
 1094    H    ARG  99           H        ARG  99 -15.879 -31.644   0.733
 1095    HA   ARG  99           HA       ARG  99 -14.374 -33.894  -0.428
 1096    HB2  ARG  99           HB2      ARG  99 -17.377 -33.602  -0.179
 1097    HB3  ARG  99           HB3      ARG  99 -16.485 -35.052  -0.617
 1098    HG2  ARG  99           HG2      ARG  99 -15.529 -35.136   1.635
 1099    HG3  ARG  99           HG3      ARG  99 -16.452 -33.695   2.071
 1100    HD2  ARG  99           HD2      ARG  99 -17.540 -36.390   1.268
 1101    HD3  ARG  99           HD3      ARG  99 -17.626 -35.636   2.860
 1102    HE   ARG  99           HE       ARG  99 -18.855 -33.946   0.975
 1103   HH11  ARG  99          HH12      ARG  99 -19.363 -37.016   2.581
 1104   HH12  ARG  99          HH11      ARG  99 -21.096 -36.956   2.422
 1105   HH21  ARG  99          HH22      ARG  99 -21.116 -33.853   0.776
 1106   HH22  ARG  99          HH21      ARG  99 -22.099 -35.148   1.394
 1107    H    LYS 100           H        LYS 100 -13.684 -33.325  -2.425
 1108    HA   LYS 100           HA       LYS 100 -15.129 -31.398  -3.978
 1109    HB2  LYS 100           HB2      LYS 100 -13.399 -31.801  -5.709
 1110    HB3  LYS 100           HB3      LYS 100 -12.736 -31.382  -4.140
 1111    HG2  LYS 100           HG2      LYS 100 -12.247 -33.758  -3.734
 1112    HG3  LYS 100           HG3      LYS 100 -12.861 -34.138  -5.345
 1113    HD2  LYS 100           HD2      LYS 100 -11.153 -32.538  -6.257
 1114    HD3  LYS 100           HD3      LYS 100 -10.468 -32.452  -4.634
 1115    HE2  LYS 100           HE2      LYS 100  -9.233 -34.054  -5.949
 1116    HE3  LYS 100           HE3      LYS 100 -10.130 -34.894  -4.683
 1117    HZ1  LYS 100           HZ1      LYS 100 -10.239 -35.989  -6.881
 1118    HZ2  LYS 100           HZ2      LYS 100 -11.060 -34.635  -7.491
 1119    HZ3  LYS 100           HZ3      LYS 100 -11.766 -35.573  -6.270
 1120    H    LYS 101           H        LYS 101 -17.122 -32.374  -4.127
 1121    HA   LYS 101           HA       LYS 101 -17.312 -34.377  -6.264
 1122    HB2  LYS 101           HB2      LYS 101 -17.813 -35.500  -4.161
 1123    HB3  LYS 101           HB3      LYS 101 -18.947 -34.234  -3.720
 1124    HG2  LYS 101           HG2      LYS 101 -20.120 -36.216  -4.457
 1125    HG3  LYS 101           HG3      LYS 101 -20.393 -34.887  -5.585
 1126    HD2  LYS 101           HD2      LYS 101 -18.794 -35.808  -7.130
 1127    HD3  LYS 101           HD3      LYS 101 -18.346 -37.064  -5.974
 1128    HE2  LYS 101           HE2      LYS 101 -20.619 -37.966  -6.085
 1129    HE3  LYS 101           HE3      LYS 101 -21.057 -36.719  -7.250
 1130    HZ1  LYS 101           HZ1      LYS 101 -18.877 -38.677  -7.715
 1131    HZ2  LYS 101           HZ2      LYS 101 -19.596 -37.635  -8.847
 1132    HZ3  LYS 101           HZ3      LYS 101 -20.477 -38.934  -8.210
 1133    H    MET   1           H1       MET   1  -4.565  -0.006 -21.506
 1134    HA   MET   1           HA       MET   1  -2.884   0.705 -19.944
 1135    HB2  MET   1           HB2      MET   1  -4.734   2.821 -19.542
 1136    HB3  MET   1           HB3      MET   1  -4.603   1.956 -18.018
 1137    HG2  MET   1           HG2      MET   1  -2.316   3.113 -19.595
 1138    HG3  MET   1           HG3      MET   1  -3.032   3.807 -18.143
 1139    HE1  MET   1           HE1      MET   1   0.068   3.323 -18.414
 1140    HE2  MET   1           HE2      MET   1  -0.697   3.967 -16.960
 1141    HE3  MET   1           HE3      MET   1   0.439   2.624 -16.839
 1142    H    ALA   2           H        ALA   2  -2.920  -0.061 -17.551
 1143    HA   ALA   2           HA       ALA   2  -4.755  -2.336 -17.395
 1144    HB1  ALA   2           HB1      ALA   2  -2.354  -2.783 -17.095
 1145    HB2  ALA   2           HB2      ALA   2  -2.315  -1.652 -15.744
 1146    HB3  ALA   2           HB3      ALA   2  -3.259  -3.135 -15.622
 1147    H    CYS   3           H        CYS   3  -6.115  -2.599 -15.573
 1148    HA   CYS   3           HA       CYS   3  -7.337  -0.368 -14.495
 1149    HB2  CYS   3           HB2      CYS   3  -7.134  -3.116 -13.242
 1150    HB3  CYS   3           HB3      CYS   3  -8.333  -1.889 -12.847
 1151    HG   CYS   3           HG       CYS   3  -8.717  -4.276 -14.883
 1152    HA   PRO   4           HA       PRO   4  -3.692   1.049 -12.409
 1153    HB2  PRO   4           HB2      PRO   4  -5.690   2.970 -11.321
 1154    HB3  PRO   4           HB3      PRO   4  -4.119   3.293 -12.061
 1155    HG2  PRO   4           HG2      PRO   4  -6.305   3.735 -13.453
 1156    HG3  PRO   4           HG3      PRO   4  -4.936   2.899 -14.228
 1157    HD2  PRO   4           HD2      PRO   4  -7.474   1.749 -13.115
 1158    HD3  PRO   4           HD3      PRO   4  -6.631   1.360 -14.629
 1159    H    LEU   5           H        LEU   5  -6.611   1.481 -10.410
 1160    HA   LEU   5           HA       LEU   5  -5.183   1.065  -8.004
 1161    HB2  LEU   5           HB2      LEU   5  -7.583   2.152  -8.631
 1162    HB3  LEU   5           HB3      LEU   5  -8.095   0.599  -7.998
 1163    HG   LEU   5           HG       LEU   5  -8.117   2.399  -6.305
 1164   HD11  LEU   5          HD11      LEU   5  -6.938   1.157  -4.571
 1165   HD12  LEU   5          HD12      LEU   5  -7.900   0.103  -5.608
 1166   HD13  LEU   5          HD13      LEU   5  -6.149   0.185  -5.814
 1167   HD21  LEU   5          HD21      LEU   5  -6.202   3.684  -7.096
 1168   HD22  LEU   5          HD22      LEU   5  -6.015   3.225  -5.402
 1169   HD23  LEU   5          HD23      LEU   5  -5.125   2.357  -6.655
 1170    H    GLU   6           H        GLU   6  -7.012  -1.075 -10.120
 1171    HA   GLU   6           HA       GLU   6  -7.247  -3.203  -8.272
 1172    HB2  GLU   6           HB2      GLU   6  -8.647  -2.993 -10.316
 1173    HB3  GLU   6           HB3      GLU   6  -7.236  -3.401 -11.284
 1174    HG2  GLU   6           HG2      GLU   6  -7.126  -5.585 -10.347
 1175    HG3  GLU   6           HG3      GLU   6  -8.344  -5.189  -9.138
 1176    H    LYS   7           H        LYS   7  -4.870  -2.463 -10.800
 1177    HA   LYS   7           HA       LYS   7  -3.367  -4.822 -10.457
 1178    HB2  LYS   7           HB2      LYS   7  -2.617  -2.122 -11.604
 1179    HB3  LYS   7           HB3      LYS   7  -1.501  -3.485 -11.567
 1180    HG2  LYS   7           HG2      LYS   7  -4.172  -3.406 -12.964
 1181    HG3  LYS   7           HG3      LYS   7  -2.594  -3.266 -13.732
 1182    HD2  LYS   7           HD2      LYS   7  -3.532  -5.674 -12.172
 1183    HD3  LYS   7           HD3      LYS   7  -3.608  -5.527 -13.925
 1184    HE2  LYS   7           HE2      LYS   7  -1.185  -5.309 -14.026
 1185    HE3  LYS   7           HE3      LYS   7  -1.090  -5.402 -12.268
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.245  -7.558 -13.944
 1187    HZ2  LYS   7           HZ2      LYS   7  -1.827  -7.634 -12.297
 1188    HZ3  LYS   7           HZ3      LYS   7  -0.618  -7.519 -13.476
 1189    H    ALA   8           H        ALA   8  -3.412  -1.793  -8.741
 1190    HA   ALA   8           HA       ALA   8  -0.997  -1.836  -7.420
 1191    HB1  ALA   8           HB1      ALA   8  -2.607  -0.014  -7.218
 1192    HB2  ALA   8           HB2      ALA   8  -3.655  -1.043  -6.242
 1193    HB3  ALA   8           HB3      ALA   8  -2.066  -0.574  -5.636
 1194    H    LEU   9           H        LEU   9  -4.008  -3.467  -6.333
 1195    HA   LEU   9           HA       LEU   9  -2.663  -4.696  -4.113
 1196    HB2  LEU   9           HB2      LEU   9  -5.317  -5.532  -5.290
 1197    HB3  LEU   9           HB3      LEU   9  -4.690  -5.950  -3.722
 1198    HG   LEU   9           HG       LEU   9  -6.269  -4.327  -3.248
 1199   HD11  LEU   9          HD11      LEU   9  -4.191  -3.863  -2.138
 1200   HD12  LEU   9          HD12      LEU   9  -3.656  -2.877  -3.501
 1201   HD13  LEU   9          HD13      LEU   9  -5.032  -2.360  -2.527
 1202   HD21  LEU   9          HD21      LEU   9  -5.201  -2.599  -5.469
 1203   HD22  LEU   9          HD22      LEU   9  -6.660  -3.589  -5.565
 1204   HD23  LEU   9          HD23      LEU   9  -6.575  -2.250  -4.421
 1205    H    ASP  10           H        ASP  10  -3.623  -5.666  -7.332
 1206    HA   ASP  10           HA       ASP  10  -3.110  -8.405  -7.182
 1207    HB2  ASP  10           HB2      ASP  10  -4.294  -7.507  -9.061
 1208    HB3  ASP  10           HB3      ASP  10  -2.946  -6.460  -9.489
 1209    H    VAL  11           H        VAL  11  -0.953  -5.747  -8.137
 1210    HA   VAL  11           HA       VAL  11   1.188  -7.513  -8.780
 1211    HB   VAL  11           HB       VAL  11   2.544  -5.570  -9.144
 1212   HG11  VAL  11          HG11      VAL  11   1.193  -4.407 -10.793
 1213   HG12  VAL  11          HG12      VAL  11   0.869  -6.140 -10.837
 1214   HG13  VAL  11          HG13      VAL  11  -0.278  -5.046 -10.061
 1215   HG21  VAL  11          HG21      VAL  11   1.942  -4.285  -7.162
 1216   HG22  VAL  11          HG22      VAL  11   1.766  -3.308  -8.619
 1217   HG23  VAL  11          HG23      VAL  11   0.339  -3.981  -7.831
 1218    H    MET  12           H        MET  12   0.162  -6.028  -5.808
 1219    HA   MET  12           HA       MET  12   2.634  -6.013  -4.462
 1220    HB2  MET  12           HB2      MET  12  -0.144  -6.486  -3.389
 1221    HB3  MET  12           HB3      MET  12   1.280  -6.326  -2.374
 1222    HG2  MET  12           HG2      MET  12   1.589  -4.057  -3.602
 1223    HG3  MET  12           HG3      MET  12  -0.113  -4.264  -4.014
 1224    HE1  MET  12           HE1      MET  12  -0.748  -2.103  -2.871
 1225    HE2  MET  12           HE2      MET  12  -0.505  -1.732  -1.159
 1226    HE3  MET  12           HE3      MET  12   0.876  -1.731  -2.272
 1227    H    VAL  13           H        VAL  13   0.135  -8.544  -4.654
 1228    HA   VAL  13           HA       VAL  13   1.889 -10.420  -3.333
 1229    HB   VAL  13           HB       VAL  13   0.074 -12.052  -3.598
 1230   HG11  VAL  13          HG11      VAL  13  -0.897  -9.395  -2.565
 1231   HG12  VAL  13          HG12      VAL  13  -1.480 -10.991  -2.090
 1232   HG13  VAL  13          HG13      VAL  13   0.165 -10.496  -1.689
 1233   HG21  VAL  13          HG21      VAL  13  -2.092 -11.371  -4.492
 1234   HG22  VAL  13          HG22      VAL  13  -1.413  -9.815  -4.974
 1235   HG23  VAL  13          HG23      VAL  13  -0.842 -11.301  -5.735
 1236    H    SER  14           H        SER  14   1.180  -9.496  -6.566
 1237    HA   SER  14           HA       SER  14   1.985 -11.960  -7.796
 1238    HB2  SER  14           HB2      SER  14   0.438 -10.293  -8.864
 1239    HB3  SER  14           HB3      SER  14   1.818  -9.212  -9.055
 1240    HG   SER  14           HG       SER  14   1.418 -11.763 -10.231
 1241    H    THR  15           H        THR  15   3.476  -8.725  -7.565
 1242    HA   THR  15           HA       THR  15   5.993  -9.475  -8.604
 1243    HB   THR  15           HB       THR  15   5.522  -7.223  -6.643
 1244    HG1  THR  15           HG1      THR  15   4.091  -6.557  -8.051
 1245   HG21  THR  15          HG21      THR  15   7.347  -7.425  -9.045
 1246   HG22  THR  15          HG22      THR  15   7.860  -7.635  -7.370
 1247   HG23  THR  15          HG23      THR  15   7.245  -6.073  -7.918
 1248    H    PHE  16           H        PHE  16   4.510  -9.711  -5.505
 1249    HA   PHE  16           HA       PHE  16   6.522 -10.055  -3.694
 1250    HB2  PHE  16           HB2      PHE  16   3.819 -10.516  -3.764
 1251    HB3  PHE  16           HB3      PHE  16   4.455 -12.143  -3.570
 1252    HD1  PHE  16           HD1      PHE  16   6.510 -12.134  -1.747
 1253    HD2  PHE  16           HD2      PHE  16   3.162  -9.521  -1.850
 1254    HE1  PHE  16           HE1      PHE  16   6.743 -11.742   0.668
 1255    HE2  PHE  16           HE2      PHE  16   3.391  -9.125   0.563
 1256    HZ   PHE  16           HZ       PHE  16   5.184 -10.233   1.827
 1257    H    HIS  17           H        HIS  17   4.975 -12.833  -5.293
 1258    HA   HIS  17           HA       HIS  17   7.098 -14.601  -4.618
 1259    HB2  HIS  17           HB2      HIS  17   5.880 -16.275  -5.962
 1260    HB3  HIS  17           HB3      HIS  17   4.820 -15.436  -4.844
 1261    HD1  HIS  17           HD1      HIS  17   5.623 -15.642  -8.540
 1262    HD2  HIS  17           HD2      HIS  17   2.691 -14.158  -5.988
 1263    HE1  HIS  17           HE1      HIS  17   3.714 -14.952 -10.024
 1264    HE2  HIS  17           HE2      HIS  17   1.900 -14.176  -8.449
 1265    H    LYS  18           H        LYS  18   6.748 -12.355  -7.064
 1266    HA   LYS  18           HA       LYS  18   8.032 -13.656  -9.224
 1267    HB2  LYS  18           HB2      LYS  18   6.584 -11.690  -9.462
 1268    HB3  LYS  18           HB3      LYS  18   7.743 -10.720  -8.573
 1269    HG2  LYS  18           HG2      LYS  18   9.379 -11.050 -10.368
 1270    HG3  LYS  18           HG3      LYS  18   8.183 -11.993 -11.266
 1271    HD2  LYS  18           HD2      LYS  18   6.705 -10.079 -11.374
 1272    HD3  LYS  18           HD3      LYS  18   7.808  -9.134 -10.373
 1273    HE2  LYS  18           HE2      LYS  18   9.523  -9.336 -12.134
 1274    HE3  LYS  18           HE3      LYS  18   8.358 -10.201 -13.138
 1275    HZ1  LYS  18           HZ1      LYS  18   8.456  -7.868 -13.725
 1276    HZ2  LYS  18           HZ2      LYS  18   8.065  -7.413 -12.139
 1277    HZ3  LYS  18           HZ3      LYS  18   6.931  -8.247 -13.094
 1278    H    TYR  19           H        TYR  19   9.191 -11.975  -6.390
 1279    HA   TYR  19           HA       TYR  19  11.958 -12.327  -7.365
 1280    HB2  TYR  19           HB2      TYR  19  10.884 -10.158  -5.548
 1281    HB3  TYR  19           HB3      TYR  19  12.588 -10.405  -5.914
 1282    HD1  TYR  19           HD2      TYR  19   9.330  -9.434  -7.341
 1283    HD2  TYR  19           HD1      TYR  19  13.530  -9.624  -7.970
 1284    HE1  TYR  19           HE2      TYR  19   9.091  -8.016  -9.329
 1285    HE2  TYR  19           HE1      TYR  19  13.298  -8.201  -9.968
 1286    HH   TYR  19           HH       TYR  19  10.287  -6.624 -10.760
 1287    H    SER  20           H        SER  20   9.925 -12.294  -4.432
 1288    HA   SER  20           HA       SER  20  11.923 -12.890  -2.598
 1289    HB2  SER  20           HB2      SER  20  10.062 -13.749  -1.160
 1290    HB3  SER  20           HB3      SER  20   9.759 -12.157  -1.859
 1291    HG   SER  20           HG       SER  20   8.282 -12.991  -3.185
 1292    H    GLY  21           H        GLY  21  10.068 -15.072  -4.635
 1293    HA2  GLY  21           HA2      GLY  21  10.898 -17.462  -3.328
 1294    HA3  GLY  21           HA3      GLY  21  10.137 -17.354  -4.905
 1295    H    LYS  22           H        LYS  22  12.835 -15.378  -4.873
 1296    HA   LYS  22           HA       LYS  22  14.315 -17.299  -6.456
 1297    HB2  LYS  22           HB2      LYS  22  14.717 -14.373  -5.846
 1298    HB3  LYS  22           HB3      LYS  22  15.911 -15.322  -6.732
 1299    HG2  LYS  22           HG2      LYS  22  14.174 -15.841  -8.413
 1300    HG3  LYS  22           HG3      LYS  22  13.055 -14.796  -7.533
 1301    HD2  LYS  22           HD2      LYS  22  14.639 -12.916  -7.845
 1302    HD3  LYS  22           HD3      LYS  22  15.657 -13.975  -8.822
 1303    HE2  LYS  22           HE2      LYS  22  13.697 -14.328 -10.332
 1304    HE3  LYS  22           HE3      LYS  22  12.839 -13.092  -9.412
 1305    HZ1  LYS  22           HZ1      LYS  22  14.659 -11.535  -9.990
 1306    HZ2  LYS  22           HZ2      LYS  22  13.802 -12.095 -11.340
 1307    HZ3  LYS  22           HZ3      LYS  22  15.330 -12.731 -10.987
 1308    H    GLU  23           H        GLU  23  15.005 -15.281  -3.564
 1309    HA   GLU  23           HA       GLU  23  17.225 -17.006  -2.843
 1310    HB2  GLU  23           HB2      GLU  23  15.900 -14.717  -1.387
 1311    HB3  GLU  23           HB3      GLU  23  17.226 -15.647  -0.712
 1312    HG2  GLU  23           HG2      GLU  23  18.569 -14.974  -2.734
 1313    HG3  GLU  23           HG3      GLU  23  17.264 -13.850  -3.114
 1314    H    GLY  24           H        GLY  24  14.064 -16.214  -1.383
 1315    HA2  GLY  24           HA2      GLY  24  14.308 -18.723   0.160
 1316    HA3  GLY  24           HA3      GLY  24  13.641 -17.248   0.839
 1317    H    ASP  25           H        ASP  25  11.579 -17.664   1.222
 1318    HA   ASP  25           HA       ASP  25  10.022 -19.322  -0.569
 1319    HB2  ASP  25           HB2      ASP  25   9.871 -19.102   2.065
 1320    HB3  ASP  25           HB3      ASP  25   8.788 -17.768   1.675
 1321    H    LYS  26           H        LYS  26   7.806 -18.480  -1.232
 1322    HA   LYS  26           HA       LYS  26   8.414 -16.137  -2.814
 1323    HB2  LYS  26           HB2      LYS  26   6.215 -16.712  -3.960
 1324    HB3  LYS  26           HB3      LYS  26   7.534 -17.851  -4.123
 1325    HG2  LYS  26           HG2      LYS  26   5.512 -19.065  -3.808
 1326    HG3  LYS  26           HG3      LYS  26   6.492 -19.248  -2.361
 1327    HD2  LYS  26           HD2      LYS  26   4.213 -18.914  -1.707
 1328    HD3  LYS  26           HD3      LYS  26   5.130 -17.465  -1.291
 1329    HE2  LYS  26           HE2      LYS  26   4.246 -16.274  -3.148
 1330    HE3  LYS  26           HE3      LYS  26   3.541 -17.740  -3.832
 1331    HZ1  LYS  26           HZ1      LYS  26   2.047 -16.104  -2.560
 1332    HZ2  LYS  26           HZ2      LYS  26   2.713 -16.801  -1.167
 1333    HZ3  LYS  26           HZ3      LYS  26   1.867 -17.765  -2.272
 1334    H    PHE  27           H        PHE  27   7.412 -16.254   0.160
 1335    HA   PHE  27           HA       PHE  27   5.878 -13.775  -0.195
 1336    HB2  PHE  27           HB2      PHE  27   4.599 -14.304   1.885
 1337    HB3  PHE  27           HB3      PHE  27   4.239 -15.372   0.538
 1338    HD1  PHE  27           HD2      PHE  27   6.447 -15.198   3.550
 1339    HD2  PHE  27           HD1      PHE  27   4.150 -17.628   0.917
 1340    HE1  PHE  27           HE2      PHE  27   6.868 -17.149   4.986
 1341    HE2  PHE  27           HE1      PHE  27   4.565 -19.580   2.353
 1342    HZ   PHE  27           HZ       PHE  27   5.926 -19.342   4.390
 1343    H    LYS  28           H        LYS  28   8.756 -14.739   0.510
 1344    HA   LYS  28           HA       LYS  28   9.056 -12.856   2.750
 1345    HB2  LYS  28           HB2      LYS  28   9.241 -15.305   3.433
 1346    HB3  LYS  28           HB3      LYS  28  10.703 -15.366   2.458
 1347    HG2  LYS  28           HG2      LYS  28  11.500 -14.992   4.593
 1348    HG3  LYS  28           HG3      LYS  28  11.481 -13.376   3.885
 1349    HD2  LYS  28           HD2      LYS  28  10.566 -13.223   6.092
 1350    HD3  LYS  28           HD3      LYS  28   9.243 -13.025   4.940
 1351    HE2  LYS  28           HE2      LYS  28   8.538 -15.301   5.269
 1352    HE3  LYS  28           HE3      LYS  28   9.947 -15.634   6.277
 1353    HZ1  LYS  28           HZ1      LYS  28   9.075 -13.915   7.836
 1354    HZ2  LYS  28           HZ2      LYS  28   8.111 -15.298   7.706
 1355    HZ3  LYS  28           HZ3      LYS  28   7.643 -13.869   6.923
 1356    H    LEU  29           H        LEU  29  10.304 -11.200   2.108
 1357    HA   LEU  29           HA       LEU  29  12.312 -11.733   0.015
 1358    HB2  LEU  29           HB2      LEU  29  10.923  -9.149   0.714
 1359    HB3  LEU  29           HB3      LEU  29  12.241  -9.281  -0.432
 1360    HG   LEU  29           HG       LEU  29  10.608 -11.037  -1.559
 1361   HD11  LEU  29          HD11      LEU  29   8.768  -9.172  -0.085
 1362   HD12  LEU  29          HD12      LEU  29   8.286 -10.259  -1.388
 1363   HD13  LEU  29          HD13      LEU  29   8.895 -10.918   0.132
 1364   HD21  LEU  29          HD21      LEU  29  11.527  -9.062  -2.628
 1365   HD22  LEU  29          HD22      LEU  29   9.812  -9.228  -3.000
 1366   HD23  LEU  29          HD23      LEU  29  10.344  -8.046  -1.804
 1367    H    ASN  30           H        ASN  30  14.390 -11.178   0.320
 1368    HA   ASN  30           HA       ASN  30  15.096 -10.024   2.928
 1369    HB2  ASN  30           HB2      ASN  30  17.016 -11.348   1.011
 1370    HB3  ASN  30           HB3      ASN  30  17.235 -11.040   2.731
 1371   HD21  ASN  30          HD21      ASN  30  15.932 -13.110   0.343
 1372   HD22  ASN  30          HD22      ASN  30  15.359 -14.335   1.410
 1373    H    LYS  31           H        LYS  31  17.482  -8.942   2.499
 1374    HA   LYS  31           HA       LYS  31  17.051  -6.456   1.456
 1375    HB2  LYS  31           HB2      LYS  31  19.661  -7.982   1.557
 1376    HB3  LYS  31           HB3      LYS  31  19.532  -6.254   1.268
 1377    HG2  LYS  31           HG2      LYS  31  18.575  -5.924   3.461
 1378    HG3  LYS  31           HG3      LYS  31  18.591  -7.665   3.752
 1379    HD2  LYS  31           HD2      LYS  31  21.026  -7.680   3.576
 1380    HD3  LYS  31           HD3      LYS  31  21.018  -5.944   3.259
 1381    HE2  LYS  31           HE2      LYS  31  20.101  -5.514   5.455
 1382    HE3  LYS  31           HE3      LYS  31  19.981  -7.244   5.774
 1383    HZ1  LYS  31           HZ1      LYS  31  22.530  -5.813   5.246
 1384    HZ2  LYS  31           HZ2      LYS  31  22.351  -7.430   5.723
 1385    HZ3  LYS  31           HZ3      LYS  31  21.946  -6.185   6.796
 1386    H    SER  32           H        SER  32  18.577  -9.201  -0.251
 1387    HA   SER  32           HA       SER  32  19.137  -7.758  -2.611
 1388    HB2  SER  32           HB2      SER  32  20.216  -9.917  -1.904
 1389    HB3  SER  32           HB3      SER  32  18.734 -10.747  -2.379
 1390    HG   SER  32           HG       SER  32  19.099 -10.248  -4.476
 1391    H    GLU  33           H        GLU  33  16.378  -9.713  -1.628
 1392    HA   GLU  33           HA       GLU  33  15.184  -9.886  -4.189
 1393    HB2  GLU  33           HB2      GLU  33  13.838 -10.087  -1.494
 1394    HB3  GLU  33           HB3      GLU  33  13.228 -10.714  -3.021
 1395    HG2  GLU  33           HG2      GLU  33  15.709 -11.637  -1.592
 1396    HG3  GLU  33           HG3      GLU  33  14.164 -12.481  -1.646
 1397    H    LEU  34           H        LEU  34  14.595  -7.800  -1.390
 1398    HA   LEU  34           HA       LEU  34  12.592  -6.240  -2.602
 1399    HB2  LEU  34           HB2      LEU  34  14.420  -5.885  -0.279
 1400    HB3  LEU  34           HB3      LEU  34  13.548  -4.490  -0.884
 1401    HG   LEU  34           HG       LEU  34  12.215  -7.053  -0.027
 1402   HD11  LEU  34          HD11      LEU  34  11.542  -5.774   1.968
 1403   HD12  LEU  34          HD12      LEU  34  13.285  -6.022   1.882
 1404   HD13  LEU  34          HD13      LEU  34  12.596  -4.457   1.455
 1405   HD21  LEU  34          HD21      LEU  34  10.188  -5.700  -0.101
 1406   HD22  LEU  34          HD22      LEU  34  11.129  -4.305  -0.645
 1407   HD23  LEU  34          HD23      LEU  34  10.984  -5.729  -1.676
 1408    H    LYS  35           H        LYS  35  16.113  -5.836  -2.411
 1409    HA   LYS  35           HA       LYS  35  16.294  -3.369  -3.659
 1410    HB2  LYS  35           HB2      LYS  35  18.231  -4.508  -2.642
 1411    HB3  LYS  35           HB3      LYS  35  18.228  -5.674  -3.962
 1412    HG2  LYS  35           HG2      LYS  35  18.887  -4.082  -5.537
 1413    HG3  LYS  35           HG3      LYS  35  18.466  -2.731  -4.473
 1414    HD2  LYS  35           HD2      LYS  35  20.847  -2.902  -4.491
 1415    HD3  LYS  35           HD3      LYS  35  20.283  -3.482  -2.923
 1416    HE2  LYS  35           HE2      LYS  35  20.453  -5.798  -3.768
 1417    HE3  LYS  35           HE3      LYS  35  21.108  -5.167  -5.275
 1418    HZ1  LYS  35           HZ1      LYS  35  22.338  -4.783  -2.599
 1419    HZ2  LYS  35           HZ2      LYS  35  22.979  -4.265  -4.080
 1420    HZ3  LYS  35           HZ3      LYS  35  22.848  -5.921  -3.753
 1421    H    GLU  36           H        GLU  36  16.381  -6.595  -5.146
 1422    HA   GLU  36           HA       GLU  36  16.603  -5.716  -7.790
 1423    HB2  GLU  36           HB2      GLU  36  16.706  -8.114  -6.703
 1424    HB3  GLU  36           HB3      GLU  36  15.000  -8.130  -7.129
 1425    HG2  GLU  36           HG2      GLU  36  15.607  -7.628  -9.451
 1426    HG3  GLU  36           HG3      GLU  36  17.304  -7.724  -9.008
 1427    H    LEU  37           H        LEU  37  13.757  -6.490  -5.838
 1428    HA   LEU  37           HA       LEU  37  11.740  -6.046  -7.681
 1429    HB2  LEU  37           HB2      LEU  37  11.627  -6.910  -5.280
 1430    HB3  LEU  37           HB3      LEU  37  11.619  -5.226  -4.788
 1431    HG   LEU  37           HG       LEU  37   9.558  -5.874  -6.767
 1432   HD11  LEU  37          HD11      LEU  37   8.135  -7.075  -5.187
 1433   HD12  LEU  37          HD12      LEU  37   9.598  -7.993  -5.545
 1434   HD13  LEU  37          HD13      LEU  37   9.457  -7.118  -4.020
 1435   HD21  LEU  37          HD21      LEU  37   9.677  -3.747  -5.568
 1436   HD22  LEU  37          HD22      LEU  37   8.184  -4.607  -5.194
 1437   HD23  LEU  37          HD23      LEU  37   9.512  -4.598  -4.034
 1438    H    LEU  38           H        LEU  38  13.203  -3.701  -5.430
 1439    HA   LEU  38           HA       LEU  38  11.767  -1.483  -6.450
 1440    HB2  LEU  38           HB2      LEU  38  14.149  -1.788  -4.669
 1441    HB3  LEU  38           HB3      LEU  38  13.690  -0.198  -5.253
 1442    HG   LEU  38           HG       LEU  38  11.342  -1.387  -4.213
 1443   HD11  LEU  38          HD11      LEU  38  11.985  -1.848  -1.909
 1444   HD12  LEU  38          HD12      LEU  38  12.743  -2.979  -3.028
 1445   HD13  LEU  38          HD13      LEU  38  13.683  -1.654  -2.339
 1446   HD21  LEU  38          HD21      LEU  38  11.859   0.996  -4.247
 1447   HD22  LEU  38          HD22      LEU  38  11.491   0.460  -2.607
 1448   HD23  LEU  38          HD23      LEU  38  13.165   0.743  -3.088
 1449    H    THR  39           H        THR  39  15.064  -2.692  -7.114
 1450    HA   THR  39           HA       THR  39  15.896  -0.563  -8.733
 1451    HB   THR  39           HB       THR  39  17.505  -2.147  -9.769
 1452    HG1  THR  39           HG1      THR  39  15.738  -3.984  -8.738
 1453   HG21  THR  39          HG21      THR  39  18.007  -1.073  -7.619
 1454   HG22  THR  39          HG22      THR  39  18.727  -2.680  -7.742
 1455   HG23  THR  39          HG23      THR  39  17.266  -2.442  -6.783
 1456    H    ARG  40           H        ARG  40  13.825  -3.260  -9.434
 1457    HA   ARG  40           HA       ARG  40  13.962  -2.814 -12.298
 1458    HB2  ARG  40           HB2      ARG  40  12.432  -4.786 -10.610
 1459    HB3  ARG  40           HB3      ARG  40  12.333  -4.725 -12.365
 1460    HG2  ARG  40           HG2      ARG  40  14.824  -5.258 -10.758
 1461    HG3  ARG  40           HG3      ARG  40  13.846  -6.477 -11.575
 1462    HD2  ARG  40           HD2      ARG  40  15.265  -4.185 -12.919
 1463    HD3  ARG  40           HD3      ARG  40  15.846  -5.847 -12.860
 1464    HE   ARG  40           HE       ARG  40  13.416  -6.144 -13.965
 1465   HH11  ARG  40          HH12      ARG  40  16.090  -4.004 -14.697
 1466   HH12  ARG  40          HH11      ARG  40  15.704  -3.889 -16.389
 1467   HH21  ARG  40          HH22      ARG  40  12.901  -6.010 -16.175
 1468   HH22  ARG  40          HH21      ARG  40  13.888  -5.040 -17.237
 1469    H    GLU  41           H        GLU  41  11.356  -2.935  -9.851
 1470    HA   GLU  41           HA       GLU  41   9.665  -1.545 -11.787
 1471    HB2  GLU  41           HB2      GLU  41   9.095  -3.491  -9.601
 1472    HB3  GLU  41           HB3      GLU  41   7.824  -2.397 -10.149
 1473    HG2  GLU  41           HG2      GLU  41   7.835  -3.267 -12.311
 1474    HG3  GLU  41           HG3      GLU  41   9.406  -4.039 -12.090
 1475    H    LEU  42           H        LEU  42  11.330  -0.799  -8.928
 1476    HA   LEU  42           HA       LEU  42   9.565   1.555  -8.642
 1477    HB2  LEU  42           HB2      LEU  42  11.087   0.202  -6.414
 1478    HB3  LEU  42           HB3      LEU  42  10.152   1.671  -6.261
 1479    HG   LEU  42           HG       LEU  42   8.159   0.193  -7.045
 1480   HD11  LEU  42          HD11      LEU  42   9.369  -1.764  -7.672
 1481   HD12  LEU  42          HD12      LEU  42  10.130  -1.858  -6.080
 1482   HD13  LEU  42          HD13      LEU  42   8.395  -2.134  -6.249
 1483   HD21  LEU  42          HD21      LEU  42   9.394  -0.102  -4.313
 1484   HD22  LEU  42          HD22      LEU  42   8.345   1.213  -4.844
 1485   HD23  LEU  42          HD23      LEU  42   7.709  -0.427  -4.723
 1486    HA   PRO  43           HA       PRO  43  14.243   2.484  -9.058
 1487    HB2  PRO  43           HB2      PRO  43  13.908   3.464 -11.749
 1488    HB3  PRO  43           HB3      PRO  43  14.967   2.179 -11.177
 1489    HG2  PRO  43           HG2      PRO  43  12.794   1.742 -12.774
 1490    HG3  PRO  43           HG3      PRO  43  13.444   0.541 -11.643
 1491    HD2  PRO  43           HD2      PRO  43  11.073   2.337 -11.351
 1492    HD3  PRO  43           HD3      PRO  43  11.285   0.650 -10.835
 1493    H    SER  44           H        SER  44  11.358   4.087 -10.097
 1494    HA   SER  44           HA       SER  44  12.324   6.745 -10.099
 1495    HB2  SER  44           HB2      SER  44   9.502   5.801  -9.549
 1496    HB3  SER  44           HB3      SER  44   9.997   7.377 -10.170
 1497    HG   SER  44           HG       SER  44   9.581   5.030 -11.501
 1498    H    PHE  45           H        PHE  45  11.039   4.624  -7.622
 1499    HA   PHE  45           HA       PHE  45  10.961   6.787  -5.660
 1500    HB2  PHE  45           HB2      PHE  45  10.226   3.926  -5.094
 1501    HB3  PHE  45           HB3      PHE  45   9.602   5.398  -4.360
 1502    HD1  PHE  45           HD2      PHE  45   8.709   7.021  -6.595
 1503    HD2  PHE  45           HD1      PHE  45   8.530   2.795  -6.055
 1504    HE1  PHE  45           HE2      PHE  45   6.777   6.900  -8.102
 1505    HE2  PHE  45           HE1      PHE  45   6.608   2.676  -7.574
 1506    HZ   PHE  45           HZ       PHE  45   5.730   4.723  -8.599
 1507    H    LEU  46           H        LEU  46  13.478   5.622  -6.757
 1508    HA   LEU  46           HA       LEU  46  14.611   4.603  -4.262
 1509    HB2  LEU  46           HB2      LEU  46  15.962   4.999  -6.939
 1510    HB3  LEU  46           HB3      LEU  46  16.653   4.204  -5.536
 1511    HG   LEU  46           HG       LEU  46  14.402   3.229  -7.285
 1512   HD11  LEU  46          HD11      LEU  46  17.105   2.093  -6.586
 1513   HD12  LEU  46          HD12      LEU  46  15.879   1.280  -7.560
 1514   HD13  LEU  46          HD13      LEU  46  16.612   2.776  -8.136
 1515   HD21  LEU  46          HD21      LEU  46  14.302   1.271  -5.749
 1516   HD22  LEU  46          HD22      LEU  46  15.315   2.165  -4.622
 1517   HD23  LEU  46          HD23      LEU  46  13.711   2.772  -5.035
 1518    H    GLY  47           H        GLY  47  14.415   7.389  -6.249
 1519    HA2  GLY  47           HA2      GLY  47  15.008   9.567  -5.971
 1520    HA3  GLY  47           HA3      GLY  47  15.238   9.193  -4.279
 1521    H    LYS  48           H        LYS  48  17.423   7.299  -4.708
 1522    HA   LYS  48           HA       LYS  48  19.487   8.943  -5.983
 1523    HB2  LYS  48           HB2      LYS  48  20.911   8.922  -4.026
 1524    HB3  LYS  48           HB3      LYS  48  19.368   9.660  -3.616
 1525    HG2  LYS  48           HG2      LYS  48  18.709   7.882  -2.305
 1526    HG3  LYS  48           HG3      LYS  48  19.783   6.747  -3.125
 1527    HD2  LYS  48           HD2      LYS  48  20.605   8.947  -1.226
 1528    HD3  LYS  48           HD3      LYS  48  20.606   7.215  -0.890
 1529    HE2  LYS  48           HE2      LYS  48  22.310   8.670  -2.909
 1530    HE3  LYS  48           HE3      LYS  48  22.854   7.938  -1.401
 1531    HZ1  LYS  48           HZ1      LYS  48  23.312   6.577  -3.396
 1532    HZ2  LYS  48           HZ2      LYS  48  21.646   6.417  -3.652
 1533    HZ3  LYS  48           HZ3      LYS  48  22.354   5.769  -2.253
 1534    H    ARG  49           H        ARG  49  18.136   6.106  -5.994
 1535    HA   ARG  49           HA       ARG  49  18.737   4.024  -6.680
 1536    HB2  ARG  49           HB2      ARG  49  20.447   5.177  -8.082
 1537    HB3  ARG  49           HB3      ARG  49  21.584   5.038  -6.750
 1538    HG2  ARG  49           HG2      ARG  49  22.052   3.306  -8.318
 1539    HG3  ARG  49           HG3      ARG  49  21.341   2.563  -6.884
 1540    HD2  ARG  49           HD2      ARG  49  20.402   1.599  -8.914
 1541    HD3  ARG  49           HD3      ARG  49  19.169   2.477  -8.006
 1542    HE   ARG  49           HE       ARG  49  20.199   4.282  -9.828
 1543   HH11  ARG  49          HH12      ARG  49  18.616   1.161 -10.005
 1544   HH12  ARG  49          HH11      ARG  49  17.817   1.503 -11.508
 1545   HH21  ARG  49          HH22      ARG  49  19.156   4.731 -11.817
 1546   HH22  ARG  49          HH21      ARG  49  18.095   3.541 -12.521
 1547    H    THR  50           H        THR  50  19.198   2.120  -5.690
 1548    HA   THR  50           HA       THR  50  19.621   2.228  -2.882
 1549    HB   THR  50           HB       THR  50  19.583  -0.340  -3.192
 1550    HG1  THR  50           HG1      THR  50  19.891  -0.640  -5.339
 1551   HG21  THR  50          HG21      THR  50  17.213   1.363  -3.973
 1552   HG22  THR  50          HG22      THR  50  17.703   0.959  -2.328
 1553   HG23  THR  50          HG23      THR  50  17.134  -0.307  -3.415
 1554    H    ASP  51           H        ASP  51  21.368   1.778  -1.700
 1555    HA   ASP  51           HA       ASP  51  23.847   1.023  -3.104
 1556    HB2  ASP  51           HB2      ASP  51  23.587   2.347  -0.396
 1557    HB3  ASP  51           HB3      ASP  51  25.070   2.083  -1.300
 1558    H    GLU  52           H        GLU  52  25.433  -0.097  -1.482
 1559    HA   GLU  52           HA       GLU  52  24.089  -2.465  -0.523
 1560    HB2  GLU  52           HB2      GLU  52  27.005  -1.673  -0.460
 1561    HB3  GLU  52           HB3      GLU  52  26.382  -3.245   0.024
 1562    HG2  GLU  52           HG2      GLU  52  25.518  -3.580  -2.252
 1563    HG3  GLU  52           HG3      GLU  52  26.214  -2.031  -2.724
 1564    H    ALA  53           H        ALA  53  26.194  -0.003   0.982
 1565    HA   ALA  53           HA       ALA  53  25.785  -0.951   3.625
 1566    HB1  ALA  53           HB1      ALA  53  27.741   0.380   2.989
 1567    HB2  ALA  53           HB2      ALA  53  26.698   1.776   2.718
 1568    HB3  ALA  53           HB3      ALA  53  26.870   1.105   4.341
 1569    H    ALA  54           H        ALA  54  24.016   1.136   1.546
 1570    HA   ALA  54           HA       ALA  54  22.429   2.375   3.590
 1571    HB1  ALA  54           HB1      ALA  54  21.067   3.184   1.754
 1572    HB2  ALA  54           HB2      ALA  54  22.784   3.410   1.390
 1573    HB3  ALA  54           HB3      ALA  54  21.890   2.076   0.650
 1574    H    PHE  55           H        PHE  55  22.253  -0.514   1.649
 1575    HA   PHE  55           HA       PHE  55  19.477  -0.953   2.116
 1576    HB2  PHE  55           HB2      PHE  55  21.193  -1.953   0.291
 1577    HB3  PHE  55           HB3      PHE  55  21.106  -3.305   1.421
 1578    HD1  PHE  55           HD2      PHE  55  18.696  -3.963   2.191
 1579    HD2  PHE  55           HD1      PHE  55  19.587  -1.762  -1.336
 1580    HE1  PHE  55           HE2      PHE  55  16.509  -4.585   1.260
 1581    HE2  PHE  55           HE1      PHE  55  17.399  -2.367  -2.268
 1582    HZ   PHE  55           HZ       PHE  55  15.856  -3.783  -0.972
 1583    H    GLN  56           H        GLN  56  22.397  -1.884   3.826
 1584    HA   GLN  56           HA       GLN  56  21.127  -3.812   5.479
 1585    HB2  GLN  56           HB2      GLN  56  23.023  -3.667   6.939
 1586    HB3  GLN  56           HB3      GLN  56  23.603  -3.599   5.284
 1587    HG2  GLN  56           HG2      GLN  56  23.776  -1.134   5.513
 1588    HG3  GLN  56           HG3      GLN  56  23.346  -1.309   7.215
 1589   HE21  GLN  56          HE21      GLN  56  25.319  -3.579   5.425
 1590   HE22  GLN  56          HE22      GLN  56  26.794  -3.267   6.276
 1591    H    LYS  57           H        LYS  57  21.124  -0.388   5.358
 1592    HA   LYS  57           HA       LYS  57  19.771  -0.010   7.874
 1593    HB2  LYS  57           HB2      LYS  57  19.754   1.792   5.442
 1594    HB3  LYS  57           HB3      LYS  57  19.360   2.244   7.092
 1595    HG2  LYS  57           HG2      LYS  57  21.597   2.179   7.763
 1596    HG3  LYS  57           HG3      LYS  57  22.087   1.263   6.332
 1597    HD2  LYS  57           HD2      LYS  57  21.677   3.158   4.911
 1598    HD3  LYS  57           HD3      LYS  57  20.988   4.079   6.254
 1599    HE2  LYS  57           HE2      LYS  57  23.847   3.127   6.034
 1600    HE3  LYS  57           HE3      LYS  57  23.283   4.775   5.756
 1601    HZ1  LYS  57           HZ1      LYS  57  23.276   3.265   8.307
 1602    HZ2  LYS  57           HZ2      LYS  57  22.428   4.718   8.092
 1603    HZ3  LYS  57           HZ3      LYS  57  24.119   4.691   7.948
 1604    H    LEU  58           H        LEU  58  18.920  -0.053   4.451
 1605    HA   LEU  58           HA       LEU  58  16.258   0.587   4.575
 1606    HB2  LEU  58           HB2      LEU  58  17.583   0.436   2.513
 1607    HB3  LEU  58           HB3      LEU  58  17.552  -1.315   2.632
 1608    HG   LEU  58           HG       LEU  58  15.102  -1.287   2.396
 1609   HD11  LEU  58          HD11      LEU  58  13.903   0.688   1.959
 1610   HD12  LEU  58          HD12      LEU  58  14.888   1.024   3.378
 1611   HD13  LEU  58          HD13      LEU  58  15.375   1.645   1.795
 1612   HD21  LEU  58          HD21      LEU  58  16.631  -1.421   0.416
 1613   HD22  LEU  58          HD22      LEU  58  15.017  -0.792   0.079
 1614   HD23  LEU  58          HD23      LEU  58  16.386   0.313   0.198
 1615    H    MET  59           H        MET  59  17.486  -2.767   4.333
 1616    HA   MET  59           HA       MET  59  15.069  -4.067   4.680
 1617    HB2  MET  59           HB2      MET  59  16.957  -5.377   4.098
 1618    HB3  MET  59           HB3      MET  59  17.853  -4.853   5.518
 1619    HG2  MET  59           HG2      MET  59  17.005  -7.186   5.636
 1620    HG3  MET  59           HG3      MET  59  16.483  -6.153   6.965
 1621    HE1  MET  59           HE1      MET  59  13.797  -7.124   3.371
 1622    HE2  MET  59           HE2      MET  59  15.477  -6.575   3.317
 1623    HE3  MET  59           HE3      MET  59  15.110  -8.259   3.749
 1624    H    SER  60           H        SER  60  17.272  -2.861   7.157
 1625    HA   SER  60           HA       SER  60  15.704  -3.888   9.329
 1626    HB2  SER  60           HB2      SER  60  18.206  -3.567   9.316
 1627    HB3  SER  60           HB3      SER  60  17.918  -1.833   9.418
 1628    HG   SER  60           HG       SER  60  17.733  -3.785  11.353
 1629    H    ASN  61           H        ASN  61  15.290  -1.349   7.247
 1630    HA   ASN  61           HA       ASN  61  13.951   0.407   9.146
 1631    HB2  ASN  61           HB2      ASN  61  14.655   0.587   6.245
 1632    HB3  ASN  61           HB3      ASN  61  13.384   1.607   6.907
 1633   HD21  ASN  61          HD21      ASN  61  14.633   3.412   6.403
 1634   HD22  ASN  61          HD22      ASN  61  15.993   3.881   7.369
 1635    H    LEU  62           H        LEU  62  13.321  -2.049   6.759
 1636    HA   LEU  62           HA       LEU  62  10.452  -1.595   6.909
 1637    HB2  LEU  62           HB2      LEU  62  12.220  -3.449   5.364
 1638    HB3  LEU  62           HB3      LEU  62  10.522  -3.837   5.555
 1639    HG   LEU  62           HG       LEU  62  10.740  -2.768   3.467
 1640   HD11  LEU  62          HD11      LEU  62   8.792  -2.071   4.689
 1641   HD12  LEU  62          HD12      LEU  62   9.722  -0.800   5.503
 1642   HD13  LEU  62          HD13      LEU  62   9.419  -0.705   3.767
 1643   HD21  LEU  62          HD21      LEU  62  12.924  -1.760   3.753
 1644   HD22  LEU  62          HD22      LEU  62  11.762  -0.570   3.164
 1645   HD23  LEU  62          HD23      LEU  62  12.244  -0.566   4.862
 1646    H    ASP  63           H        ASP  63  12.578  -4.386   7.403
 1647    HA   ASP  63           HA       ASP  63  10.700  -5.985   8.705
 1648    HB2  ASP  63           HB2      ASP  63  12.832  -6.773   7.671
 1649    HB3  ASP  63           HB3      ASP  63  13.709  -6.053   9.014
 1650    H    SER  64           H        SER  64   9.663  -5.418  10.507
 1651    HA   SER  64           HA       SER  64  10.827  -3.797  12.557
 1652    HB2  SER  64           HB2      SER  64   8.382  -3.863  12.078
 1653    HB3  SER  64           HB3      SER  64   8.335  -5.524  12.667
 1654    HG   SER  64           HG       SER  64   7.775  -4.325  14.398
 1655    H    ASN  65           H        ASN  65  10.766  -7.146  11.821
 1656    HA   ASN  65           HA       ASN  65  11.483  -8.058  14.462
 1657    HB2  ASN  65           HB2      ASN  65  10.275  -9.485  12.803
 1658    HB3  ASN  65           HB3      ASN  65  11.712  -9.470  11.787
 1659   HD21  ASN  65          HD21      ASN  65  13.453 -10.723  12.333
 1660   HD22  ASN  65          HD22      ASN  65  13.406 -11.911  13.592
 1661    H    ARG  66           H        ARG  66  13.001  -6.782  11.688
 1662    HA   ARG  66           HA       ARG  66  15.107  -6.173  11.162
 1663    HB2  ARG  66           HB2      ARG  66  15.320  -6.158  14.170
 1664    HB3  ARG  66           HB3      ARG  66  16.556  -5.506  13.100
 1665    HG2  ARG  66           HG2      ARG  66  14.970  -3.894  12.218
 1666    HG3  ARG  66           HG3      ARG  66  13.696  -4.569  13.234
 1667    HD2  ARG  66           HD2      ARG  66  16.244  -3.312  14.245
 1668    HD3  ARG  66           HD3      ARG  66  14.681  -2.504  14.160
 1669    HE   ARG  66           HE       ARG  66  15.298  -4.817  15.897
 1670   HH11  ARG  66          HH12      ARG  66  13.429  -1.945  15.145
 1671   HH12  ARG  66          HH11      ARG  66  12.595  -1.934  16.673
 1672   HH21  ARG  66          HH22      ARG  66  14.181  -4.805  17.902
 1673   HH22  ARG  66          HH21      ARG  66  12.991  -3.574  18.211
 1674    H    ASP  67           H        ASP  67  14.971  -8.718  10.561
 1675    HA   ASP  67           HA       ASP  67  17.427  -9.866  11.747
 1676    HB2  ASP  67           HB2      ASP  67  15.407 -11.219  12.192
 1677    HB3  ASP  67           HB3      ASP  67  15.140 -11.364  10.456
 1678    H    ASN  68           H        ASN  68  15.574  -9.540   8.727
 1679    HA   ASN  68           HA       ASN  68  17.477  -8.811   6.988
 1680    HB2  ASN  68           HB2      ASN  68  18.703 -10.917   7.781
 1681    HB3  ASN  68           HB3      ASN  68  17.491 -11.794   6.870
 1682   HD21  ASN  68          HD21      ASN  68  18.962 -12.654   5.440
 1683   HD22  ASN  68          HD22      ASN  68  19.748 -11.703   4.224
 1684    H    GLU  69           H        GLU  69  14.490  -9.887   7.591
 1685    HA   GLU  69           HA       GLU  69  13.864 -10.348   4.788
 1686    HB2  GLU  69           HB2      GLU  69  12.467 -12.351   5.472
 1687    HB3  GLU  69           HB3      GLU  69  14.211 -12.570   5.459
 1688    HG2  GLU  69           HG2      GLU  69  14.262 -12.264   7.885
 1689    HG3  GLU  69           HG3      GLU  69  12.508 -12.068   7.891
 1690    H    VAL  70           H        VAL  70  11.984  -9.626   4.142
 1691    HA   VAL  70           HA       VAL  70  10.307  -8.234   6.086
 1692    HB   VAL  70           HB       VAL  70  10.909  -7.900   3.190
 1693   HG11  VAL  70          HG11      VAL  70   8.462  -8.147   3.194
 1694   HG12  VAL  70          HG12      VAL  70   8.352  -6.874   4.406
 1695   HG13  VAL  70          HG13      VAL  70   8.969  -6.505   2.798
 1696   HG21  VAL  70          HG21      VAL  70  10.981  -5.548   3.855
 1697   HG22  VAL  70          HG22      VAL  70  10.449  -5.998   5.477
 1698   HG23  VAL  70          HG23      VAL  70  12.015  -6.550   4.875
 1699    H    ASP  71           H        ASP  71   8.348  -8.913   6.614
 1700    HA   ASP  71           HA       ASP  71   7.250 -11.267   5.276
 1701    HB2  ASP  71           HB2      ASP  71   7.545 -11.040   7.827
 1702    HB3  ASP  71           HB3      ASP  71   6.152  -9.961   7.765
 1703    H    PHE  72           H        PHE  72   4.521 -10.982   5.740
 1704    HA   PHE  72           HA       PHE  72   3.948  -9.718   3.298
 1705    HB2  PHE  72           HB2      PHE  72   2.700 -11.624   4.664
 1706    HB3  PHE  72           HB3      PHE  72   1.705 -10.260   5.173
 1707    HD1  PHE  72           HD2      PHE  72   2.284  -8.821   2.390
 1708    HD2  PHE  72           HD1      PHE  72   0.756 -12.616   3.556
 1709    HE1  PHE  72           HE2      PHE  72   1.065  -8.969   0.253
 1710    HE2  PHE  72           HE1      PHE  72  -0.471 -12.773   1.432
 1711    HZ   PHE  72           HZ       PHE  72  -0.322 -10.955  -0.216
 1712    H    GLN  73           H        GLN  73   2.675  -8.753   6.550
 1713    HA   GLN  73           HA       GLN  73   1.536  -6.381   5.529
 1714    HB2  GLN  73           HB2      GLN  73   0.771  -7.257   7.664
 1715    HB3  GLN  73           HB3      GLN  73   2.347  -6.998   8.380
 1716    HG2  GLN  73           HG2      GLN  73   2.118  -4.627   8.207
 1717    HG3  GLN  73           HG3      GLN  73   0.596  -4.806   7.333
 1718   HE21  GLN  73          HE21      GLN  73   1.380  -3.560   9.957
 1719   HE22  GLN  73          HE22      GLN  73   0.257  -4.230  11.092
 1720    H    GLU  74           H        GLU  74   4.731  -7.109   6.749
 1721    HA   GLU  74           HA       GLU  74   5.708  -4.478   6.967
 1722    HB2  GLU  74           HB2      GLU  74   6.724  -6.888   7.559
 1723    HB3  GLU  74           HB3      GLU  74   7.530  -6.623   6.024
 1724    HG2  GLU  74           HG2      GLU  74   9.051  -5.758   7.492
 1725    HG3  GLU  74           HG3      GLU  74   8.138  -4.301   7.053
 1726    H    TYR  75           H        TYR  75   5.638  -6.800   4.328
 1727    HA   TYR  75           HA       TYR  75   7.025  -5.313   2.400
 1728    HB2  TYR  75           HB2      TYR  75   6.596  -7.691   2.145
 1729    HB3  TYR  75           HB3      TYR  75   4.860  -7.414   2.117
 1730    HD1  TYR  75           HD1      TYR  75   3.874  -6.180   0.123
 1731    HD2  TYR  75           HD2      TYR  75   7.874  -7.646   0.188
 1732    HE1  TYR  75           HE1      TYR  75   3.938  -6.065  -2.326
 1733    HE2  TYR  75           HE2      TYR  75   7.955  -7.519  -2.273
 1734    HH   TYR  75           HH       TYR  75   5.623  -5.882  -4.113
 1735    H    CYS  76           H        CYS  76   3.643  -5.316   3.370
 1736    HA   CYS  76           HA       CYS  76   2.905  -3.646   1.158
 1737    HB2  CYS  76           HB2      CYS  76   1.219  -4.511   3.507
 1738    HB3  CYS  76           HB3      CYS  76   0.637  -3.885   1.964
 1739    HG   CYS  76           HG       CYS  76   2.277  -6.867   2.385
 1740    H    VAL  77           H        VAL  77   3.356  -3.248   4.657
 1741    HA   VAL  77           HA       VAL  77   2.492  -0.539   4.688
 1742    HB   VAL  77           HB       VAL  77   2.694  -1.810   6.777
 1743   HG11  VAL  77          HG11      VAL  77   4.578  -3.183   6.330
 1744   HG12  VAL  77          HG12      VAL  77   5.630  -1.778   6.152
 1745   HG13  VAL  77          HG13      VAL  77   4.961  -2.185   7.733
 1746   HG21  VAL  77          HG21      VAL  77   2.818   0.628   6.910
 1747   HG22  VAL  77          HG22      VAL  77   3.820  -0.127   8.149
 1748   HG23  VAL  77          HG23      VAL  77   4.569   0.554   6.706
 1749    H    PHE  78           H        PHE  78   5.475  -2.163   3.945
 1750    HA   PHE  78           HA       PHE  78   7.209  -0.081   3.434
 1751    HB2  PHE  78           HB2      PHE  78   8.015  -2.259   3.080
 1752    HB3  PHE  78           HB3      PHE  78   6.637  -2.705   2.084
 1753    HD1  PHE  78           HD1      PHE  78   9.855  -1.024   2.187
 1754    HD2  PHE  78           HD2      PHE  78   6.567  -2.178  -0.268
 1755    HE1  PHE  78           HE1      PHE  78  11.205  -0.569   0.171
 1756    HE2  PHE  78           HE2      PHE  78   7.900  -1.727  -2.285
 1757    HZ   PHE  78           HZ       PHE  78  10.224  -0.926  -2.068
 1758    H    LEU  79           H        LEU  79   4.663  -1.409   1.395
 1759    HA   LEU  79           HA       LEU  79   5.044   0.302  -0.783
 1760    HB2  LEU  79           HB2      LEU  79   2.847  -1.481   0.141
 1761    HB3  LEU  79           HB3      LEU  79   2.535  -0.363  -1.174
 1762    HG   LEU  79           HG       LEU  79   4.975  -1.735  -1.721
 1763   HD11  LEU  79          HD11      LEU  79   2.633  -3.495  -1.036
 1764   HD12  LEU  79          HD12      LEU  79   4.043  -4.007  -1.961
 1765   HD13  LEU  79          HD13      LEU  79   4.228  -3.506  -0.282
 1766   HD21  LEU  79          HD21      LEU  79   3.112  -0.624  -3.122
 1767   HD22  LEU  79          HD22      LEU  79   3.992  -2.036  -3.766
 1768   HD23  LEU  79          HD23      LEU  79   2.368  -2.237  -3.069
 1769    H    SER  80           H        SER  80   2.699   0.405   1.860
 1770    HA   SER  80           HA       SER  80   1.464   2.781   0.979
 1771    HB2  SER  80           HB2      SER  80   0.832   2.809   3.544
 1772    HB3  SER  80           HB3      SER  80   0.131   1.654   2.417
 1773    HG   SER  80           HG       SER  80   1.335   0.070   3.235
 1774    H    CYS  81           H        CYS  81   4.225   2.113   3.013
 1775    HA   CYS  81           HA       CYS  81   4.758   4.668   3.933
 1776    HB2  CYS  81           HB2      CYS  81   6.233   3.029   4.719
 1777    HB3  CYS  81           HB3      CYS  81   6.547   2.405   3.099
 1778    HG   CYS  81           HG       CYS  81   8.332   4.212   2.339
 1779    H    ILE  82           H        ILE  82   5.767   3.143   0.863
 1780    HA   ILE  82           HA       ILE  82   7.055   5.416  -0.151
 1781    HB   ILE  82           HB       ILE  82   5.716   3.220  -1.758
 1782   HG12  ILE  82          HG12      ILE  82   8.398   3.474  -0.428
 1783   HG13  ILE  82          HG13      ILE  82   7.306   2.093  -0.479
 1784   HG21  ILE  82          HG21      ILE  82   7.884   5.191  -2.509
 1785   HG22  ILE  82          HG22      ILE  82   7.237   3.913  -3.539
 1786   HG23  ILE  82          HG23      ILE  82   6.204   5.257  -3.049
 1787   HD11  ILE  82          HD11      ILE  82   9.021   3.128  -2.726
 1788   HD12  ILE  82          HD12      ILE  82   9.255   1.642  -1.806
 1789   HD13  ILE  82          HD13      ILE  82   7.854   1.801  -2.872
 1790    H    ALA  83           H        ALA  83   3.751   4.231  -0.714
 1791    HA   ALA  83           HA       ALA  83   2.952   6.275  -2.453
 1792    HB1  ALA  83           HB1      ALA  83   1.714   4.181  -2.118
 1793    HB2  ALA  83           HB2      ALA  83   1.235   4.736  -0.514
 1794    HB3  ALA  83           HB3      ALA  83   0.681   5.603  -1.950
 1795    H    MET  84           H        MET  84   2.823   6.059   1.069
 1796    HA   MET  84           HA       MET  84   1.490   8.575   1.372
 1797    HB2  MET  84           HB2      MET  84   1.145   6.830   2.990
 1798    HB3  MET  84           HB3      MET  84   2.863   6.778   3.346
 1799    HG2  MET  84           HG2      MET  84   2.726   9.065   4.228
 1800    HG3  MET  84           HG3      MET  84   0.985   9.051   3.923
 1801    HE1  MET  84           HE1      MET  84   2.576   5.718   4.751
 1802    HE2  MET  84           HE2      MET  84   3.794   6.801   5.490
 1803    HE3  MET  84           HE3      MET  84   2.784   5.738   6.519
 1804    H    MET  85           H        MET  85   4.776   7.452   1.439
 1805    HA   MET  85           HA       MET  85   5.976   9.813   2.398
 1806    HB2  MET  85           HB2      MET  85   6.912   7.453   2.138
 1807    HB3  MET  85           HB3      MET  85   7.237   7.914   0.459
 1808    HG2  MET  85           HG2      MET  85   8.260  10.022   1.803
 1809    HG3  MET  85           HG3      MET  85   8.564   8.720   2.937
 1810    HE1  MET  85           HE1      MET  85  10.718   6.452   1.889
 1811    HE2  MET  85           HE2      MET  85   8.937   6.511   1.981
 1812    HE3  MET  85           HE3      MET  85   9.750   6.109   0.445
 1813    H    CYS  86           H        CYS  86   4.512   8.935  -0.549
 1814    HA   CYS  86           HA       CYS  86   5.751  10.922  -2.211
 1815    HB2  CYS  86           HB2      CYS  86   4.964   8.912  -3.258
 1816    HB3  CYS  86           HB3      CYS  86   3.363   9.103  -2.553
 1817    HG   CYS  86           HG       CYS  86   2.376  10.209  -4.629
 1818    H    ASN  87           H        ASN  87   3.129  10.801  -0.014
 1819    HA   ASN  87           HA       ASN  87   1.282  12.572  -1.078
 1820    HB2  ASN  87           HB2      ASN  87   0.806  11.208   0.870
 1821    HB3  ASN  87           HB3      ASN  87   2.029  12.059   1.802
 1822   HD21  ASN  87          HD21      ASN  87   0.677  12.741   3.380
 1823   HD22  ASN  87          HD22      ASN  87  -0.574  13.911   3.124
 1824    H    GLU  88           H        GLU  88   4.044  13.268   1.006
 1825    HA   GLU  88           HA       GLU  88   3.399  15.970   1.418
 1826    HB2  GLU  88           HB2      GLU  88   6.123  14.678   1.574
 1827    HB3  GLU  88           HB3      GLU  88   5.614  16.165   2.366
 1828    HG2  GLU  88           HG2      GLU  88   5.113  14.921   4.135
 1829    HG3  GLU  88           HG3      GLU  88   3.749  14.310   3.193
 1830    H    PHE  89           H        PHE  89   5.361  14.378  -1.035
 1831    HA   PHE  89           HA       PHE  89   6.200  16.948  -2.098
 1832    HB2  PHE  89           HB2      PHE  89   6.962  14.110  -2.692
 1833    HB3  PHE  89           HB3      PHE  89   7.403  15.413  -3.795
 1834    HD1  PHE  89           HD1      PHE  89   7.701  14.303  -0.270
 1835    HD2  PHE  89           HD2      PHE  89   9.260  16.747  -3.380
 1836    HE1  PHE  89           HE1      PHE  89   9.653  14.842   1.134
 1837    HE2  PHE  89           HE2      PHE  89  11.214  17.289  -1.987
 1838    HZ   PHE  89           HZ       PHE  89  11.411  16.337   0.275
 1839    H    PHE  90           H        PHE  90   4.564  14.051  -3.458
 1840    HA   PHE  90           HA       PHE  90   4.107  15.476  -5.918
 1841    HB2  PHE  90           HB2      PHE  90   4.639  13.052  -5.828
 1842    HB3  PHE  90           HB3      PHE  90   3.079  12.766  -5.059
 1843    HD1  PHE  90           HD2      PHE  90   3.894  15.037  -7.888
 1844    HD2  PHE  90           HD1      PHE  90   1.930  11.482  -6.617
 1845    HE1  PHE  90           HE2      PHE  90   2.856  14.823 -10.106
 1846    HE2  PHE  90           HE1      PHE  90   0.890  11.261  -8.835
 1847    HZ   PHE  90           HZ       PHE  90   1.352  12.933 -10.582
 1848    H    GLU  91           H        GLU  91   2.118  14.378  -3.207
 1849    HA   GLU  91           HA       GLU  91  -0.279  15.486  -4.394
 1850    HB2  GLU  91           HB2      GLU  91   0.235  14.217  -1.707
 1851    HB3  GLU  91           HB3      GLU  91  -1.335  14.810  -2.232
 1852    HG2  GLU  91           HG2      GLU  91   0.271  12.586  -3.458
 1853    HG3  GLU  91           HG3      GLU  91  -1.265  12.457  -2.598
 1854    H    GLY  92           H        GLY  92   2.333  16.700  -2.751
 1855    HA2  GLY  92           HA2      GLY  92   2.792  18.872  -2.163
 1856    HA3  GLY  92           HA3      GLY  92   1.217  19.309  -2.801
 1857    H    PHE  93           H        PHE  93   1.997  17.109  -0.137
 1858    HA   PHE  93           HA       PHE  93   0.241  18.683   1.590
 1859    HB2  PHE  93           HB2      PHE  93   0.061  16.145   1.342
 1860    HB3  PHE  93           HB3      PHE  93   1.567  16.049   2.245
 1861    HD1  PHE  93           HD1      PHE  93  -1.928  17.251   2.427
 1862    HD2  PHE  93           HD2      PHE  93   1.566  16.132   4.584
 1863    HE1  PHE  93           HE1      PHE  93  -3.210  17.313   4.525
 1864    HE2  PHE  93           HE2      PHE  93   0.291  16.194   6.687
 1865    HZ   PHE  93           HZ       PHE  93  -2.100  16.784   6.659
 1866    HA   PRO  94           HA       PRO  94   4.160  20.379   2.903
 1867    HB2  PRO  94           HB2      PRO  94   3.247  22.668   3.935
 1868    HB3  PRO  94           HB3      PRO  94   3.198  22.373   2.192
 1869    HG2  PRO  94           HG2      PRO  94   1.004  22.146   4.215
 1870    HG3  PRO  94           HG3      PRO  94   0.954  22.834   2.580
 1871    HD2  PRO  94           HD2      PRO  94   0.106  20.290   3.238
 1872    HD3  PRO  94           HD3      PRO  94   0.611  20.794   1.613
 1873    H    ASP  95           H        ASP  95   3.385  18.365   4.477
 1874    HA   ASP  95           HA       ASP  95   3.329  17.495   6.587
 1875    HB2  ASP  95           HB2      ASP  95   5.660  18.177   6.399
 1876    HB3  ASP  95           HB3      ASP  95   5.261  19.781   6.992
 1877    H    LYS  96           H        LYS  96   1.067  18.248   6.717
 1878    HA   LYS  96           HA       LYS  96   0.656  20.346   8.724
 1879    HB2  LYS  96           HB2      LYS  96  -0.689  20.447   6.632
 1880    HB3  LYS  96           HB3      LYS  96  -1.381  18.881   7.028
 1881    HG2  LYS  96           HG2      LYS  96  -2.301  19.875   9.107
 1882    HG3  LYS  96           HG3      LYS  96  -1.710  21.448   8.566
 1883    HD2  LYS  96           HD2      LYS  96  -3.079  21.202   6.515
 1884    HD3  LYS  96           HD3      LYS  96  -3.728  19.695   7.165
 1885    HE2  LYS  96           HE2      LYS  96  -4.606  20.939   9.101
 1886    HE3  LYS  96           HE3      LYS  96  -3.997  22.436   8.396
 1887    HZ1  LYS  96           HZ1      LYS  96  -5.418  21.884   6.414
 1888    HZ2  LYS  96           HZ2      LYS  96  -6.258  22.314   7.821
 1889    HZ3  LYS  96           HZ3      LYS  96  -6.149  20.684   7.364
 1890    H    GLN  97           H        GLN  97  -0.186  19.888  10.713
 1891    HA   GLN  97           HA       GLN  97  -0.615  18.687  12.594
 1892    HB2  GLN  97           HB2      GLN  97  -1.513  16.572  10.620
 1893    HB3  GLN  97           HB3      GLN  97  -1.760  16.491  12.355
 1894    HG2  GLN  97           HG2      GLN  97  -3.147  18.498  12.259
 1895    HG3  GLN  97           HG3      GLN  97  -2.900  18.578  10.515
 1896   HE21  GLN  97          HE21      GLN  97  -5.101  18.377  10.088
 1897   HE22  GLN  97          HE22      GLN  97  -5.937  16.879  10.286
 1898    HA   PRO  98           HA       PRO  98   2.872  15.907  13.368
 1899    HB2  PRO  98           HB2      PRO  98   1.112  13.668  14.188
 1900    HB3  PRO  98           HB3      PRO  98   2.419  14.452  15.078
 1901    HG2  PRO  98           HG2      PRO  98  -0.136  14.869  15.729
 1902    HG3  PRO  98           HG3      PRO  98   1.064  16.173  15.819
 1903    HD2  PRO  98           HD2      PRO  98  -1.034  15.662  13.751
 1904    HD3  PRO  98           HD3      PRO  98  -0.479  17.202  14.438
 1905    H    ARG  99           H        ARG  99   3.479  15.624  11.222
 1906    HA   ARG  99           HA       ARG  99   2.555  13.139   9.941
 1907    HB2  ARG  99           HB2      ARG  99   1.544  15.401   9.074
 1908    HB3  ARG  99           HB3      ARG  99   3.117  15.592   8.311
 1909    HG2  ARG  99           HG2      ARG  99   1.713  14.628   6.690
 1910    HG3  ARG  99           HG3      ARG  99   2.747  13.320   7.274
 1911    HD2  ARG  99           HD2      ARG  99   0.422  12.593   7.081
 1912    HD3  ARG  99           HD3      ARG  99   0.970  12.563   8.758
 1913    HE   ARG  99           HE       ARG  99  -0.210  15.042   8.322
 1914   HH11  ARG  99          HH12      ARG  99  -1.132  11.675   8.478
 1915   HH12  ARG  99          HH11      ARG  99  -2.798  12.016   8.860
 1916   HH21  ARG  99          HH22      ARG  99  -2.385  15.497   8.839
 1917   HH22  ARG  99          HH21      ARG  99  -3.513  14.199   9.046
 1918    H    LYS 100           H        LYS 100   4.752  15.826   9.263
 1919    HA   LYS 100           HA       LYS 100   6.968  15.977   8.879
 1920    HB2  LYS 100           HB2      LYS 100   7.307  14.574  10.873
 1921    HB3  LYS 100           HB3      LYS 100   7.147  13.131   9.881
 1922    HG2  LYS 100           HG2      LYS 100   9.119  13.904   8.567
 1923    HG3  LYS 100           HG3      LYS 100   9.319  15.206   9.740
 1924    HD2  LYS 100           HD2      LYS 100   9.578  13.561  11.524
 1925    HD3  LYS 100           HD3      LYS 100   9.360  12.254  10.357
 1926    HE2  LYS 100           HE2      LYS 100  11.357  13.101   9.136
 1927    HE3  LYS 100           HE3      LYS 100  11.600  14.271  10.433
 1928    HZ1  LYS 100           HZ1      LYS 100  11.834  12.443  11.993
 1929    HZ2  LYS 100           HZ2      LYS 100  12.969  12.311  10.740
 1930    HZ3  LYS 100           HZ3      LYS 100  11.598  11.320  10.742
 1931    H    LYS 101           H        LYS 101   7.748  16.075   6.919
 1932    HA   LYS 101           HA       LYS 101   6.900  14.368   4.827
 1933    HB2  LYS 101           HB2      LYS 101   9.198  16.329   4.961
 1934    HB3  LYS 101           HB3      LYS 101   8.669  15.525   3.491
 1935    HG2  LYS 101           HG2      LYS 101   6.469  16.588   3.714
 1936    HG3  LYS 101           HG3      LYS 101   7.034  17.420   5.165
 1937    HD2  LYS 101           HD2      LYS 101   8.299  17.686   2.441
 1938    HD3  LYS 101           HD3      LYS 101   7.116  18.814   3.104
 1939    HE2  LYS 101           HE2      LYS 101   9.800  18.164   4.320
 1940    HE3  LYS 101           HE3      LYS 101   9.424  19.612   3.386
 1941    HZ1  LYS 101           HZ1      LYS 101   8.287  18.827   6.016
 1942    HZ2  LYS 101           HZ2      LYS 101   7.698  20.116   5.080
 1943    HZ3  LYS 101           HZ3      LYS 101   9.283  20.159   5.680
  Start of MODEL    3
    1    H1   GLN1897           H1       GLN1897 -19.968 -12.581  -0.358
    2    H2   GLN1897           H2       GLN1897 -20.140 -12.121   1.262
    3    H3   GLN1897           H3       GLN1897 -18.677 -12.775   0.714
    4    HA   GLN1897           HA       GLN1897 -18.337 -10.879  -0.731
    5    HB2  GLN1897           HB2      GLN1897 -20.733 -10.323  -1.037
    6    HB3  GLN1897           HB3      GLN1897 -20.820  -9.812   0.645
    7    HG2  GLN1897           HG2      GLN1897 -19.132  -8.069   0.150
    8    HG3  GLN1897           HG3      GLN1897 -19.213  -8.511  -1.554
    9   HE21  GLN1897          HE21      GLN1897 -19.959  -6.547  -2.193
   10   HE22  GLN1897          HE22      GLN1897 -21.565  -5.988  -1.841
   11    H    ARG1898           H        ARG1898 -17.265  -8.996   0.061
   12    HA   ARG1898           HA       ARG1898 -16.555  -7.433   1.437
   13    HB2  ARG1898           HB2      ARG1898 -18.625  -7.411   2.630
   14    HB3  ARG1898           HB3      ARG1898 -18.143  -8.830   3.537
   15    HG2  ARG1898           HG2      ARG1898 -17.942  -6.534   4.672
   16    HG3  ARG1898           HG3      ARG1898 -16.575  -7.645   4.798
   17    HD2  ARG1898           HD2      ARG1898 -15.718  -5.477   4.281
   18    HD3  ARG1898           HD3      ARG1898 -15.530  -6.497   2.864
   19    HE   ARG1898           HE       ARG1898 -17.494  -4.324   3.178
   20   HH11  ARG1898          HH12      ARG1898 -15.926  -6.633   1.043
   21   HH12  ARG1898          HH11      ARG1898 -16.138  -5.670  -0.374
   22   HH21  ARG1898          HH22      ARG1898 -17.729  -3.036   1.289
   23   HH22  ARG1898          HH21      ARG1898 -17.162  -3.632  -0.237
   24    H    GLU1899           H        GLU1899 -14.816  -8.585   0.686
   25    HA   GLU1899           HA       GLU1899 -13.084 -10.066   2.366
   26    HB2  GLU1899           HB2      GLU1899 -11.382  -8.985   0.750
   27    HB3  GLU1899           HB3      GLU1899 -12.614 -10.035   0.053
   28    HG2  GLU1899           HG2      GLU1899 -13.208  -7.143   0.298
   29    HG3  GLU1899           HG3      GLU1899 -12.101  -7.628  -0.966
   30    H    LEU1900           H        LEU1900 -13.945  -6.713   2.027
   31    HA   LEU1900           HA       LEU1900 -11.609  -5.559   3.067
   32    HB2  LEU1900           HB2      LEU1900 -14.424  -4.508   2.752
   33    HB3  LEU1900           HB3      LEU1900 -13.156  -3.578   3.517
   34    HG   LEU1900           HG       LEU1900 -13.180  -2.767   1.376
   35   HD11  LEU1900          HD11      LEU1900 -11.039  -4.860   1.421
   36   HD12  LEU1900          HD12      LEU1900 -11.099  -3.480   0.323
   37   HD13  LEU1900          HD13      LEU1900 -10.940  -3.217   2.060
   38   HD21  LEU1900          HD21      LEU1900 -14.633  -4.302   0.344
   39   HD22  LEU1900          HD22      LEU1900 -13.176  -4.142  -0.637
   40   HD23  LEU1900          HD23      LEU1900 -13.401  -5.569   0.378
   41    H    GLU1901           H        GLU1901 -14.035  -7.311   4.653
   42    HA   GLU1901           HA       GLU1901 -13.875  -6.038   7.204
   43    HB2  GLU1901           HB2      GLU1901 -15.733  -7.554   6.590
   44    HB3  GLU1901           HB3      GLU1901 -14.606  -8.902   6.537
   45    HG2  GLU1901           HG2      GLU1901 -14.112  -8.500   8.937
   46    HG3  GLU1901           HG3      GLU1901 -15.374  -7.271   8.946
   47    H    ASP1902           H        ASP1902 -12.224  -8.708   5.615
   48    HA   ASP1902           HA       ASP1902 -10.409  -9.133   7.824
   49    HB2  ASP1902           HB2      ASP1902 -10.391 -10.233   4.999
   50    HB3  ASP1902           HB3      ASP1902  -9.324 -10.757   6.297
   51    H    ALA1903           H        ALA1903 -10.433  -7.652   4.659
   52    HA   ALA1903           HA       ALA1903  -7.768  -7.188   4.149
   53    HB1  ALA1903           HB1      ALA1903  -8.442  -5.561   2.621
   54    HB2  ALA1903           HB2      ALA1903  -9.840  -6.631   2.725
   55    HB3  ALA1903           HB3      ALA1903  -9.839  -5.093   3.595
   56    H    THR1904           H        THR1904  -9.972  -4.742   5.384
   57    HA   THR1904           HA       THR1904  -7.668  -3.108   5.987
   58    HB   THR1904           HB       THR1904  -9.338  -1.275   6.111
   59    HG1  THR1904           HG1      THR1904 -11.449  -1.694   5.933
   60   HG21  THR1904          HG21      THR1904  -9.386  -3.073   3.687
   61   HG22  THR1904          HG22      THR1904  -8.270  -1.744   4.002
   62   HG23  THR1904          HG23      THR1904  -9.973  -1.413   3.692
   63    H    GLU1905           H        GLU1905  -9.603  -5.233   7.595
   64    HA   GLU1905           HA       GLU1905  -9.719  -4.346  10.216
   65    HB2  GLU1905           HB2      GLU1905 -10.392  -6.598   9.460
   66    HB3  GLU1905           HB3      GLU1905  -8.705  -6.974   9.134
   67    HG2  GLU1905           HG2      GLU1905  -8.220  -6.704  11.540
   68    HG3  GLU1905           HG3      GLU1905  -9.940  -6.468  11.828
   69    H    THR1906           H        THR1906  -7.115  -5.918   8.477
   70    HA   THR1906           HA       THR1906  -5.086  -5.415  10.377
   71    HB   THR1906           HB       THR1906  -3.897  -5.864   7.869
   72    HG1  THR1906           HG1      THR1906  -5.874  -6.382   6.936
   73   HG21  THR1906          HG21      THR1906  -4.723  -7.795  10.045
   74   HG22  THR1906          HG22      THR1906  -3.214  -6.882   9.979
   75   HG23  THR1906          HG23      THR1906  -3.539  -8.133   8.781
   76    H    ALA1907           H        ALA1907  -6.519  -3.500   7.866
   77    HA   ALA1907           HA       ALA1907  -4.398  -1.824   7.233
   78    HB1  ALA1907           HB1      ALA1907  -6.037  -0.066   6.718
   79    HB2  ALA1907           HB2      ALA1907  -6.516  -1.637   6.054
   80    HB3  ALA1907           HB3      ALA1907  -7.290  -1.020   7.517
   81    H    ASP1908           H        ASP1908  -6.640  -1.639   9.952
   82    HA   ASP1908           HA       ASP1908  -5.734   0.690  11.155
   83    HB2  ASP1908           HB2      ASP1908  -7.715  -0.484  11.938
   84    HB3  ASP1908           HB3      ASP1908  -6.734  -1.852  12.455
   85    H    ALA1909           H        ALA1909  -4.429  -2.599  11.387
   86    HA   ALA1909           HA       ALA1909  -2.459  -1.952  13.348
   87    HB1  ALA1909           HB1      ALA1909  -1.498  -4.123  12.847
   88    HB2  ALA1909           HB2      ALA1909  -3.252  -4.240  13.002
   89    HB3  ALA1909           HB3      ALA1909  -2.506  -4.255  11.403
   90    H    MET1910           H        MET1910  -2.067  -2.726   9.865
   91    HA   MET1910           HA       MET1910   0.484  -1.908   9.431
   92    HB2  MET1910           HB2      MET1910  -0.623  -2.849   7.613
   93    HB3  MET1910           HB3      MET1910  -1.967  -1.727   7.715
   94    HG2  MET1910           HG2      MET1910  -0.672   0.048   6.762
   95    HG3  MET1910           HG3      MET1910   0.817  -0.897   6.909
   96    HE1  MET1910           HE1      MET1910  -0.375  -3.756   6.129
   97    HE2  MET1910           HE2      MET1910  -0.029  -3.849   4.403
   98    HE3  MET1910           HE3      MET1910   1.192  -3.227   5.513
   99    H    ASN1911           H        ASN1911  -2.278   0.219   9.903
  100    HA   ASN1911           HA       ASN1911  -1.095   2.572   8.890
  101    HB2  ASN1911           HB2      ASN1911  -3.527   2.224   9.441
  102    HB3  ASN1911           HB3      ASN1911  -3.087   2.390  11.130
  103   HD21  ASN1911          HD21      ASN1911  -3.346   3.982   8.092
  104   HD22  ASN1911          HD22      ASN1911  -3.278   5.590   8.694
  105    H    ARG1912           H        ARG1912  -0.988   1.084  12.075
  106    HA   ARG1912           HA       ARG1912   0.115   3.355  13.388
  107    HB2  ARG1912           HB2      ARG1912   0.429   0.503  14.277
  108    HB3  ARG1912           HB3      ARG1912   0.395   1.942  15.277
  109    HG2  ARG1912           HG2      ARG1912  -1.882   0.539  13.936
  110    HG3  ARG1912           HG3      ARG1912  -1.693   0.989  15.631
  111    HD2  ARG1912           HD2      ARG1912  -2.145   2.874  13.313
  112    HD3  ARG1912           HD3      ARG1912  -3.336   2.416  14.537
  113    HE   ARG1912           HE       ARG1912  -1.215   3.461  15.949
  114   HH11  ARG1912          HH12      ARG1912  -3.352   4.617  13.413
  115   HH12  ARG1912          HH11      ARG1912  -3.292   6.271  13.950
  116   HH21  ARG1912          HH22      ARG1912  -1.147   5.632  16.645
  117   HH22  ARG1912          HH21      ARG1912  -2.048   6.842  15.782
  118    H    GLU1913           H        GLU1913   1.425   0.508  11.833
  119    HA   GLU1913           HA       GLU1913   4.140   1.189  12.523
  120    HB2  GLU1913           HB2      GLU1913   4.712  -0.746  11.075
  121    HB3  GLU1913           HB3      GLU1913   3.575  -1.150  12.356
  122    HG2  GLU1913           HG2      GLU1913   1.737  -0.888  10.697
  123    HG3  GLU1913           HG3      GLU1913   2.969  -0.707   9.441
  124    H    VAL1914           H        VAL1914   1.923   1.650   9.875
  125    HA   VAL1914           HA       VAL1914   3.839   2.183   7.868
  126    HB   VAL1914           HB       VAL1914   1.263   1.700   7.669
  127   HG11  VAL1914          HG11      VAL1914   0.467   3.664   8.832
  128   HG12  VAL1914          HG12      VAL1914   1.307   4.704   7.674
  129   HG13  VAL1914          HG13      VAL1914  -0.042   3.698   7.141
  130   HG21  VAL1914          HG21      VAL1914   2.685   3.600   5.835
  131   HG22  VAL1914          HG22      VAL1914   2.754   1.837   5.789
  132   HG23  VAL1914          HG23      VAL1914   1.238   2.668   5.444
  133    H    SER1915           H        SER1915   2.179   4.179  10.211
  134    HA   SER1915           HA       SER1915   2.996   6.648   9.126
  135    HB2  SER1915           HB2      SER1915   1.097   6.267  10.691
  136    HB3  SER1915           HB3      SER1915   2.265   6.060  11.996
  137    HG   SER1915           HG       SER1915   2.197   8.155  12.159
  138    H    SER1916           H        SER1916   4.322   4.419  11.524
  139    HA   SER1916           HA       SER1916   6.588   6.075  12.123
  140    HB2  SER1916           HB2      SER1916   5.742   4.417  13.741
  141    HB3  SER1916           HB3      SER1916   6.156   3.118  12.624
  142    HG   SER1916           HG       SER1916   7.869   4.845  14.068
  143    H    LEU1917           H        LEU1917   5.998   3.266  10.035
  144    HA   LEU1917           HA       LEU1917   8.676   2.865   9.323
  145    HB2  LEU1917           HB2      LEU1917   6.836   1.180   9.087
  146    HB3  LEU1917           HB3      LEU1917   6.273   2.072   7.687
  147    HG   LEU1917           HG       LEU1917   9.063   0.930   7.857
  148   HD11  LEU1917          HD11      LEU1917   7.668  -0.967   8.036
  149   HD12  LEU1917          HD12      LEU1917   6.549  -0.343   6.822
  150   HD13  LEU1917          HD13      LEU1917   8.166  -0.855   6.345
  151   HD21  LEU1917          HD21      LEU1917   9.074   1.184   5.486
  152   HD22  LEU1917          HD22      LEU1917   7.380   1.686   5.484
  153   HD23  LEU1917          HD23      LEU1917   8.607   2.721   6.217
  154    H    LYS1918           H        LYS1918   6.057   4.593   7.610
  155    HA   LYS1918           HA       LYS1918   7.682   5.160   5.386
  156    HB2  LYS1918           HB2      LYS1918   5.814   6.007   4.515
  157    HB3  LYS1918           HB3      LYS1918   5.017   5.573   6.018
  158    HG2  LYS1918           HG2      LYS1918   6.401   8.199   5.700
  159    HG3  LYS1918           HG3      LYS1918   4.753   7.948   5.107
  160    HD2  LYS1918           HD2      LYS1918   3.883   7.568   7.242
  161    HD3  LYS1918           HD3      LYS1918   5.468   7.196   7.915
  162    HE2  LYS1918           HE2      LYS1918   6.130   9.495   7.778
  163    HE3  LYS1918           HE3      LYS1918   4.650   9.911   6.919
  164    HZ1  LYS1918           HZ1      LYS1918   3.371   9.391   8.886
  165    HZ2  LYS1918           HZ2      LYS1918   4.563  10.527   9.278
  166    HZ3  LYS1918           HZ3      LYS1918   4.768   8.903   9.717
  167    H    ASN1919           H        ASN1919   7.706   6.359   8.543
  168    HA   ASN1919           HA       ASN1919   9.048   8.845   7.873
  169    HB2  ASN1919           HB2      ASN1919   7.504   8.910   9.742
  170    HB3  ASN1919           HB3      ASN1919   8.367   7.601  10.544
  171   HD21  ASN1919          HD21      ASN1919  10.153   8.044  11.729
  172   HD22  ASN1919          HD22      ASN1919  10.769   9.643  11.988
  173    H    LYS1920           H        LYS1920   9.885   5.565   8.805
  174    HA   LYS1920           HA       LYS1920  12.577   6.336   9.490
  175    HB2  LYS1920           HB2      LYS1920  12.883   3.694   9.208
  176    HB3  LYS1920           HB3      LYS1920  12.296   4.432  10.679
  177    HG2  LYS1920           HG2      LYS1920   9.965   3.933   9.890
  178    HG3  LYS1920           HG3      LYS1920  10.665   2.972   8.568
  179    HD2  LYS1920           HD2      LYS1920  11.907   1.656  10.287
  180    HD3  LYS1920           HD3      LYS1920  11.055   2.551  11.546
  181    HE2  LYS1920           HE2      LYS1920   8.916   1.721  10.650
  182    HE3  LYS1920           HE3      LYS1920   9.802   0.789   9.445
  183    HZ1  LYS1920           HZ1      LYS1920   9.195  -0.602  11.299
  184    HZ2  LYS1920           HZ2      LYS1920   9.952   0.444  12.388
  185    HZ3  LYS1920           HZ3      LYS1920  10.881  -0.424  11.266
  186    H    LEU1921           H        LEU1921  10.771   5.209   6.771
  187    HA   LEU1921           HA       LEU1921  13.061   4.887   5.084
  188    HB2  LEU1921           HB2      LEU1921  10.183   5.359   4.293
  189    HB3  LEU1921           HB3      LEU1921  11.461   4.743   3.263
  190    HG   LEU1921           HG       LEU1921   9.954   3.356   5.432
  191   HD11  LEU1921          HD11      LEU1921   9.895   1.562   3.766
  192   HD12  LEU1921          HD12      LEU1921   9.205   3.077   3.172
  193   HD13  LEU1921          HD13      LEU1921  10.821   2.582   2.658
  194   HD21  LEU1921          HD21      LEU1921  12.642   2.453   4.432
  195   HD22  LEU1921          HD22      LEU1921  12.315   3.120   6.032
  196   HD23  LEU1921          HD23      LEU1921  11.580   1.592   5.549
  197    H    ARG1922           H        ARG1922  11.296   7.485   6.304
  198    HA   ARG1922           HA       ARG1922  12.054   9.368   4.222
  199    HB2  ARG1922           HB2      ARG1922   9.885   9.046   5.903
  200    HB3  ARG1922           HB3      ARG1922  10.770  10.361   6.646
  201    HG2  ARG1922           HG2      ARG1922  10.101  11.810   5.086
  202    HG3  ARG1922           HG3      ARG1922  10.456  10.678   3.771
  203    HD2  ARG1922           HD2      ARG1922   8.396   9.622   3.939
  204    HD3  ARG1922           HD3      ARG1922   8.102  10.249   5.565
  205    HE   ARG1922           HE       ARG1922   8.238  12.336   3.588
  206   HH11  ARG1922          HH12      ARG1922   6.139   9.889   4.963
  207   HH12  ARG1922          HH11      ARG1922   4.684  10.770   4.628
  208   HH21  ARG1922          HH22      ARG1922   6.348  13.498   3.186
  209   HH22  ARG1922          HH21      ARG1922   4.804  12.844   3.638
  210    H    ARG1923           H        ARG1923  13.507   8.046   6.880
  211    HA   ARG1923           HA       ARG1923  14.288  10.357   8.344
  212    HB2  ARG1923           HB2      ARG1923  14.136   7.997   9.240
  213    HB3  ARG1923           HB3      ARG1923  15.652   7.670   8.413
  214    HG2  ARG1923           HG2      ARG1923  16.645   9.586   9.713
  215    HG3  ARG1923           HG3      ARG1923  15.159   9.597  10.665
  216    HD2  ARG1923           HD2      ARG1923  17.105   7.316  10.375
  217    HD3  ARG1923           HD3      ARG1923  16.849   8.311  11.808
  218    HE   ARG1923           HE       ARG1923  14.501   7.340  11.745
  219   HH11  ARG1923          HH12      ARG1923  17.285   5.636  10.487
  220   HH12  ARG1923          HH11      ARG1923  16.665   4.059  10.901
  221   HH21  ARG1923          HH22      ARG1923  13.658   5.294  12.241
  222   HH22  ARG1923          HH21      ARG1923  14.572   3.859  11.856
  223    H    GLY1924           H        GLY1924  16.015   8.289   6.010
  224    HA2  GLY1924           HA2      GLY1924  17.351   9.794   4.427
  225    HA3  GLY1924           HA3      GLY1924  18.131  10.339   5.908
  226    H    ASP1925           H        ASP1925  17.590   7.378   6.742
  227    HA   ASP1925           HA       ASP1925  20.159   6.336   6.063
  228    HB2  ASP1925           HB2      ASP1925  17.743   5.021   7.327
  229    HB3  ASP1925           HB3      ASP1925  19.328   4.269   7.191
  230    H    LEU1926           H        LEU1926  17.325   6.569   4.376
  231    HA   LEU1926           HA       LEU1926  17.345   3.951   3.178
  232    HB2  LEU1926           HB2      LEU1926  15.563   6.324   3.111
  233    HB3  LEU1926           HB3      LEU1926  15.460   5.165   1.804
  234    HG   LEU1926           HG       LEU1926  14.302   5.038   4.437
  235   HD11  LEU1926          HD11      LEU1926  14.213   3.255   1.997
  236   HD12  LEU1926          HD12      LEU1926  13.079   3.210   3.348
  237   HD13  LEU1926          HD13      LEU1926  13.170   4.640   2.321
  238   HD21  LEU1926          HD21      LEU1926  16.017   2.667   3.666
  239   HD22  LEU1926          HD22      LEU1926  16.325   3.754   5.022
  240   HD23  LEU1926          HD23      LEU1926  14.876   2.750   5.009
  241    HA   PRO1927           HA       PRO1927  19.308   5.303  -0.631
  242    HB2  PRO1927           HB2      PRO1927  19.285   2.907  -1.831
  243    HB3  PRO1927           HB3      PRO1927  20.419   3.272  -0.531
  244    HG2  PRO1927           HG2      PRO1927  17.925   1.651  -0.478
  245    HG3  PRO1927           HG3      PRO1927  19.435   1.420   0.421
  246    HD2  PRO1927           HD2      PRO1927  17.094   2.583   1.413
  247    HD3  PRO1927           HD3      PRO1927  18.703   2.699   2.147
  248    H    PHE1928           H        PHE1928  16.204   4.580   0.084
  249    HA   PHE1928           HA       PHE1928  15.286   4.930  -2.660
  250    HB2  PHE1928           HB2      PHE1928  14.400   2.881  -2.813
  251    HB3  PHE1928           HB3      PHE1928  15.248   2.474  -1.353
  252    HD1  PHE1928           HD2      PHE1928  12.065   4.158  -2.316
  253    HD2  PHE1928           HD1      PHE1928  14.104   1.443   0.210
  254    HE1  PHE1928           HE2      PHE1928   9.947   3.613  -1.219
  255    HE2  PHE1928           HE1      PHE1928  11.974   0.872   1.313
  256    HZ   PHE1928           HZ       PHE1928   9.911   1.962   0.581
  257    H    VAL1929           H        VAL1929  13.535   6.160  -2.862
  258    HA   VAL1929           HA       VAL1929  11.833   6.932  -0.699
  259    HB   VAL1929           HB       VAL1929  12.494   9.394  -0.951
  260   HG11  VAL1929          HG11      VAL1929  12.877   8.062   1.064
  261   HG12  VAL1929          HG12      VAL1929  14.426   7.539   0.401
  262   HG13  VAL1929          HG13      VAL1929  14.164   9.241   0.791
  263   HG21  VAL1929          HG21      VAL1929  13.902   9.069  -2.905
  264   HG22  VAL1929          HG22      VAL1929  14.833   9.776  -1.578
  265   HG23  VAL1929          HG23      VAL1929  14.994   8.059  -1.958
  266    H    VAL1930           H        VAL1930  10.228   8.490  -1.411
  267    HA   VAL1930           HA       VAL1930   9.602   8.165  -4.165
  268    HB   VAL1930           HB       VAL1930   8.334  10.035  -2.165
  269   HG11  VAL1930          HG11      VAL1930   7.423   9.074  -4.876
  270   HG12  VAL1930          HG12      VAL1930   6.441  10.009  -3.751
  271   HG13  VAL1930          HG13      VAL1930   7.897  10.717  -4.447
  272   HG21  VAL1930          HG21      VAL1930   6.607   8.314  -1.980
  273   HG22  VAL1930          HG22      VAL1930   7.535   7.272  -3.058
  274   HG23  VAL1930          HG23      VAL1930   8.186   7.698  -1.473
  275    HA   PRO1931           HA       PRO1931  11.905  11.731  -5.615
  276    HB2  PRO1931           HB2      PRO1931  10.968  11.596  -8.163
  277    HB3  PRO1931           HB3      PRO1931  12.235  10.524  -7.555
  278    HG2  PRO1931           HG2      PRO1931   9.291  10.001  -7.842
  279    HG3  PRO1931           HG3      PRO1931  10.663   8.957  -8.274
  280    HD2  PRO1931           HD2      PRO1931   9.272   8.618  -5.995
  281    HD3  PRO1931           HD3      PRO1931  11.020   8.305  -6.073
  282    H    ARG1932           H        ARG1932  11.333  13.813  -6.565
  283    HA   ARG1932           HA       ARG1932   8.878  14.896  -5.723
  284    HB2  ARG1932           HB2      ARG1932   9.495  16.822  -7.243
  285    HB3  ARG1932           HB3      ARG1932  10.683  16.408  -6.017
  286    HG2  ARG1932           HG2      ARG1932  11.941  15.141  -7.741
  287    HG3  ARG1932           HG3      ARG1932  10.792  15.722  -8.946
  288    HD2  ARG1932           HD2      ARG1932  12.858  17.067  -8.870
  289    HD3  ARG1932           HD3      ARG1932  11.415  18.009  -8.495
  290    HE   ARG1932           HE       ARG1932  12.120  17.541  -6.059
  291   HH11  ARG1932          HH12      ARG1932  14.351  17.975  -8.734
  292   HH12  ARG1932          HH11      ARG1932  15.596  18.667  -7.737
  293   HH21  ARG1932          HH22      ARG1932  13.775  18.437  -4.756
  294   HH22  ARG1932          HH21      ARG1932  15.265  18.940  -5.494
  295    H    ARG1933           H        ARG1933   6.970  14.306  -6.460
  296    HA   ARG1933           HA       ARG1933   5.269  13.672  -7.822
  297    HB2  ARG1933           HB2      ARG1933   5.976  15.698  -9.119
  298    HB3  ARG1933           HB3      ARG1933   7.039  14.675 -10.071
  299    HG2  ARG1933           HG2      ARG1933   5.019  13.383 -10.772
  300    HG3  ARG1933           HG3      ARG1933   4.043  14.618  -9.971
  301    HD2  ARG1933           HD2      ARG1933   4.889  16.320 -11.433
  302    HD3  ARG1933           HD3      ARG1933   6.065  15.199 -12.127
  303    HE   ARG1933           HE       ARG1933   4.126  13.950 -13.026
  304   HH11  ARG1933          HH12      ARG1933   3.763  17.341 -12.185
  305   HH12  ARG1933          HH11      ARG1933   2.445  17.594 -13.289
  306   HH21  ARG1933          HH22      ARG1933   2.377  14.291 -14.457
  307   HH22  ARG1933          HH21      ARG1933   1.637  15.860 -14.556
  308    H    MET1934           H        MET1934   4.958  12.184  -9.968
  309    HA   MET1934           HA       MET1934   6.615   9.860  -9.531
  310    HB2  MET1934           HB2      MET1934   4.229  10.378 -11.302
  311    HB3  MET1934           HB3      MET1934   5.111   8.853 -11.313
  312    HG2  MET1934           HG2      MET1934   3.755  10.086  -8.926
  313    HG3  MET1934           HG3      MET1934   3.144   8.737  -9.884
  314    HE1  MET1934           HE1      MET1934   4.422   7.426  -6.278
  315    HE2  MET1934           HE2      MET1934   4.164   9.154  -6.539
  316    HE3  MET1934           HE3      MET1934   3.000   7.983  -7.161
  317    H    ALA1935           H        ALA1935   7.394  12.497 -10.871
  318    HA   ALA1935           HA       ALA1935   8.914  13.205 -12.372
  319    HB1  ALA1935           HB1      ALA1935  10.728  11.668 -12.882
  320    HB2  ALA1935           HB2      ALA1935  10.255  11.551 -11.185
  321    HB3  ALA1935           HB3      ALA1935   9.745  10.309 -12.331
  322    H    MET   1           H1       MET   1   1.878  -4.967 -18.014
  323    HA   MET   1           HA       MET   1   1.159  -3.756 -20.621
  324    HB2  MET   1           HB2      MET   1  -0.709  -4.742 -19.197
  325    HB3  MET   1           HB3      MET   1  -0.307  -3.533 -17.986
  326    HG2  MET   1           HG2      MET   1  -2.173  -2.771 -19.270
  327    HG3  MET   1           HG3      MET   1  -0.772  -1.769 -19.648
  328    HE1  MET   1           HE1      MET   1  -2.226  -0.903 -21.761
  329    HE2  MET   1           HE2      MET   1  -2.843  -1.979 -23.015
  330    HE3  MET   1           HE3      MET   1  -3.527  -2.035 -21.390
  331    H    ALA   2           H        ALA   2   1.086  -2.712 -17.234
  332    HA   ALA   2           HA       ALA   2   2.993  -0.557 -17.908
  333    HB1  ALA   2           HB1      ALA   2   0.754   0.217 -17.227
  334    HB2  ALA   2           HB2      ALA   2   0.936  -0.649 -15.701
  335    HB3  ALA   2           HB3      ALA   2   1.999   0.707 -16.077
  336    H    CYS   3           H        CYS   3   4.302   0.130 -15.853
  337    HA   CYS   3           HA       CYS   3   5.693  -2.093 -14.801
  338    HB2  CYS   3           HB2      CYS   3   5.622   0.788 -13.871
  339    HB3  CYS   3           HB3      CYS   3   6.766  -0.423 -13.301
  340    HG   CYS   3           HG       CYS   3   7.367   1.630 -15.568
  341    HA   PRO   4           HA       PRO   4   2.197  -3.315 -12.348
  342    HB2  PRO   4           HB2      PRO   4   4.351  -5.016 -11.156
  343    HB3  PRO   4           HB3      PRO   4   2.739  -5.484 -11.728
  344    HG2  PRO   4           HG2      PRO   4   4.812  -6.043 -13.234
  345    HG3  PRO   4           HG3      PRO   4   3.376  -5.328 -13.990
  346    HD2  PRO   4           HD2      PRO   4   5.958  -4.020 -13.216
  347    HD3  PRO   4           HD3      PRO   4   4.998  -3.824 -14.701
  348    H    LEU   5           H        LEU   5   5.217  -3.478 -10.448
  349    HA   LEU   5           HA       LEU   5   3.875  -2.755  -8.055
  350    HB2  LEU   5           HB2      LEU   5   6.237  -3.970  -8.652
  351    HB3  LEU   5           HB3      LEU   5   6.794  -2.385  -8.163
  352    HG   LEU   5           HG       LEU   5   6.836  -3.987  -6.307
  353   HD11  LEU   5          HD11      LEU   5   4.784  -1.811  -5.970
  354   HD12  LEU   5          HD12      LEU   5   5.617  -2.653  -4.661
  355   HD13  LEU   5          HD13      LEU   5   6.530  -1.647  -5.784
  356   HD21  LEU   5          HD21      LEU   5   4.982  -5.408  -6.993
  357   HD22  LEU   5          HD22      LEU   5   4.760  -4.826  -5.343
  358   HD23  LEU   5          HD23      LEU   5   3.847  -4.099  -6.666
  359    H    GLU   6           H        GLU   6   5.586  -0.930 -10.513
  360    HA   GLU   6           HA       GLU   6   6.027   1.354  -8.911
  361    HB2  GLU   6           HB2      GLU   6   7.279   0.870 -11.019
  362    HB3  GLU   6           HB3      GLU   6   5.828   1.296 -11.920
  363    HG2  GLU   6           HG2      GLU   6   5.929   3.547 -11.199
  364    HG3  GLU   6           HG3      GLU   6   7.159   3.177  -9.994
  365    H    LYS   7           H        LYS   7   3.479   0.453 -11.191
  366    HA   LYS   7           HA       LYS   7   2.067   2.894 -11.001
  367    HB2  LYS   7           HB2      LYS   7   1.096   0.134 -11.767
  368    HB3  LYS   7           HB3      LYS   7   0.126   1.593 -11.902
  369    HG2  LYS   7           HG2      LYS   7   2.708   1.030 -13.348
  370    HG3  LYS   7           HG3      LYS   7   1.087   0.993 -14.044
  371    HD2  LYS   7           HD2      LYS   7   2.321   3.445 -12.793
  372    HD3  LYS   7           HD3      LYS   7   2.402   3.078 -14.514
  373    HE2  LYS   7           HE2      LYS   7  -0.012   3.158 -14.680
  374    HE3  LYS   7           HE3      LYS   7  -0.151   3.400 -12.939
  375    HZ1  LYS   7           HZ1      LYS   7   0.697   5.541 -13.081
  376    HZ2  LYS   7           HZ2      LYS   7  -0.298   5.439 -14.452
  377    HZ3  LYS   7           HZ3      LYS   7   1.382   5.288 -14.612
  378    H    ALA   8           H        ALA   8   2.179   0.060  -8.989
  379    HA   ALA   8           HA       ALA   8  -0.180   0.245  -7.568
  380    HB1  ALA   8           HB1      ALA   8   0.979  -0.842  -5.723
  381    HB2  ALA   8           HB2      ALA   8   1.441  -1.560  -7.265
  382    HB3  ALA   8           HB3      ALA   8   2.534  -0.442  -6.451
  383    H    LEU   9           H        LEU   9   2.900   1.902  -6.765
  384    HA   LEU   9           HA       LEU   9   1.614   3.414  -4.681
  385    HB2  LEU   9           HB2      LEU   9   4.308   3.954  -5.939
  386    HB3  LEU   9           HB3      LEU   9   3.718   4.584  -4.416
  387    HG   LEU   9           HG       LEU   9   5.168   2.918  -3.743
  388   HD11  LEU   9          HD11      LEU   9   2.494   1.550  -3.930
  389   HD12  LEU   9          HD12      LEU   9   3.827   1.066  -2.882
  390   HD13  LEU   9          HD13      LEU   9   3.038   2.624  -2.642
  391   HD21  LEU   9          HD21      LEU   9   5.599   1.992  -5.970
  392   HD22  LEU   9          HD22      LEU   9   5.391   0.733  -4.750
  393   HD23  LEU   9          HD23      LEU   9   4.083   1.092  -5.875
  394    H    ASP  10           H        ASP  10   2.469   3.946  -8.025
  395    HA   ASP  10           HA       ASP  10   2.117   6.710  -8.203
  396    HB2  ASP  10           HB2      ASP  10   3.096   5.562 -10.047
  397    HB3  ASP  10           HB3      ASP  10   1.704   4.499 -10.214
  398    H    VAL  11           H        VAL  11  -0.241   4.097  -8.626
  399    HA   VAL  11           HA       VAL  11  -2.370   5.896  -9.263
  400    HB   VAL  11           HB       VAL  11  -3.812   3.984  -9.294
  401   HG11  VAL  11          HG11      VAL  11  -2.638   2.592 -10.911
  402   HG12  VAL  11          HG12      VAL  11  -2.285   4.301 -11.173
  403   HG13  VAL  11          HG13      VAL  11  -1.097   3.264 -10.382
  404   HG21  VAL  11          HG21      VAL  11  -3.051   1.752  -8.604
  405   HG22  VAL  11          HG22      VAL  11  -1.550   2.457  -8.003
  406   HG23  VAL  11          HG23      VAL  11  -3.089   2.880  -7.250
  407    H    MET  12           H        MET  12  -1.072   4.591  -6.340
  408    HA   MET  12           HA       MET  12  -3.266   4.758  -4.637
  409    HB2  MET  12           HB2      MET  12  -0.313   5.042  -4.230
  410    HB3  MET  12           HB3      MET  12  -1.419   5.332  -2.891
  411    HG2  MET  12           HG2      MET  12  -2.247   3.124  -2.985
  412    HG3  MET  12           HG3      MET  12  -1.435   2.810  -4.516
  413    HE1  MET  12           HE1      MET  12  -0.816   0.539  -3.082
  414    HE2  MET  12           HE2      MET  12   0.261   0.565  -1.682
  415    HE3  MET  12           HE3      MET  12  -1.377   1.204  -1.542
  416    H    VAL  13           H        VAL  13  -0.954   7.268  -5.594
  417    HA   VAL  13           HA       VAL  13  -2.509   9.250  -4.143
  418    HB   VAL  13           HB       VAL  13  -0.769  10.870  -4.960
  419   HG11  VAL  13          HG11      VAL  13  -0.651   9.866  -2.739
  420   HG12  VAL  13          HG12      VAL  13   0.213   8.476  -3.403
  421   HG13  VAL  13          HG13      VAL  13   0.967  10.075  -3.420
  422   HG21  VAL  13          HG21      VAL  13   0.576   8.352  -5.929
  423   HG22  VAL  13          HG22      VAL  13  -0.028   9.666  -6.940
  424   HG23  VAL  13          HG23      VAL  13   1.323   9.947  -5.839
  425    H    SER  14           H        SER  14  -2.149   8.071  -7.382
  426    HA   SER  14           HA       SER  14  -3.166  10.418  -8.678
  427    HB2  SER  14           HB2      SER  14  -2.841   7.582  -9.676
  428    HB3  SER  14           HB3      SER  14  -3.313   8.948 -10.685
  429    HG   SER  14           HG       SER  14  -0.847   8.429  -9.413
  430    H    THR  15           H        THR  15  -4.576   7.166  -8.174
  431    HA   THR  15           HA       THR  15  -7.183   7.849  -9.001
  432    HB   THR  15           HB       THR  15  -6.321   5.680  -7.066
  433    HG1  THR  15           HG1      THR  15  -6.767   4.625  -9.416
  434   HG21  THR  15          HG21      THR  15  -8.759   5.811  -8.840
  435   HG22  THR  15          HG22      THR  15  -8.763   6.121  -7.106
  436   HG23  THR  15          HG23      THR  15  -8.339   4.519  -7.714
  437    H    PHE  16           H        PHE  16  -5.466   8.130  -6.010
  438    HA   PHE  16           HA       PHE  16  -7.375   8.622  -4.113
  439    HB2  PHE  16           HB2      PHE  16  -4.928   8.539  -3.758
  440    HB3  PHE  16           HB3      PHE  16  -4.774  10.107  -4.533
  441    HD1  PHE  16           HD2      PHE  16  -6.643   8.516  -1.725
  442    HD2  PHE  16           HD1      PHE  16  -4.567  11.929  -3.187
  443    HE1  PHE  16           HE2      PHE  16  -6.881   9.599   0.473
  444    HE2  PHE  16           HE1      PHE  16  -4.793  13.014  -0.993
  445    HZ   PHE  16           HZ       PHE  16  -5.951  11.848   0.841
  446    H    HIS  17           H        HIS  17  -5.702  11.284  -5.809
  447    HA   HIS  17           HA       HIS  17  -7.628  13.197  -5.044
  448    HB2  HIS  17           HB2      HIS  17  -6.427  14.771  -6.422
  449    HB3  HIS  17           HB3      HIS  17  -5.271  13.750  -5.581
  450    HD1  HIS  17           HD1      HIS  17  -6.693  14.368  -9.028
  451    HD2  HIS  17           HD2      HIS  17  -3.549  12.340  -7.209
  452    HE1  HIS  17           HE1      HIS  17  -5.200  13.608 -10.903
  453    HE2  HIS  17           HE2      HIS  17  -3.259  12.462  -9.783
  454    H    LYS  18           H        LYS  18  -7.851  10.844  -7.400
  455    HA   LYS  18           HA       LYS  18  -9.130  12.384  -9.457
  456    HB2  LYS  18           HB2      LYS  18  -7.779  10.398  -9.955
  457    HB3  LYS  18           HB3      LYS  18  -8.922   9.394  -9.077
  458    HG2  LYS  18           HG2      LYS  18 -10.669  10.035 -10.711
  459    HG3  LYS  18           HG3      LYS  18  -9.439  10.915 -11.623
  460    HD2  LYS  18           HD2      LYS  18  -8.192   8.877 -11.985
  461    HD3  LYS  18           HD3      LYS  18  -9.315   7.972 -10.970
  462    HE2  LYS  18           HE2      LYS  18  -9.907   7.518 -13.220
  463    HE3  LYS  18           HE3      LYS  18 -11.129   8.618 -12.585
  464    HZ1  LYS  18           HZ1      LYS  18  -8.890   9.256 -14.416
  465    HZ2  LYS  18           HZ2      LYS  18  -9.796  10.451 -13.629
  466    HZ3  LYS  18           HZ3      LYS  18 -10.549   9.398 -14.718
  467    H    TYR  19           H        TYR  19 -10.248  10.589  -6.660
  468    HA   TYR  19           HA       TYR  19 -13.003  10.744  -7.718
  469    HB2  TYR  19           HB2      TYR  19 -11.768   8.790  -5.775
  470    HB3  TYR  19           HB3      TYR  19 -13.503   8.909  -6.045
  471    HD1  TYR  19           HD1      TYR  19 -10.292   8.295  -7.813
  472    HD2  TYR  19           HD2      TYR  19 -14.503   7.707  -7.797
  473    HE1  TYR  19           HE1      TYR  19 -10.081   6.770  -9.722
  474    HE2  TYR  19           HE2      TYR  19 -14.299   6.171  -9.710
  475    HH   TYR  19           HH       TYR  19 -11.206   5.041 -10.829
  476    H    SER  20           H        SER  20 -11.154  11.080  -4.693
  477    HA   SER  20           HA       SER  20 -13.358  11.768  -3.090
  478    HB2  SER  20           HB2      SER  20 -11.392  12.804  -1.669
  479    HB3  SER  20           HB3      SER  20 -11.531  11.056  -1.884
  480    HG   SER  20           HG       SER  20  -9.405  12.137  -2.347
  481    H    GLY  21           H        GLY  21 -11.386  13.674  -5.222
  482    HA2  GLY  21           HA2      GLY  21 -12.115  16.214  -4.087
  483    HA3  GLY  21           HA3      GLY  21 -11.273  15.952  -5.607
  484    H    LYS  22           H        LYS  22 -14.181  14.204  -5.204
  485    HA   LYS  22           HA       LYS  22 -15.485  15.997  -7.114
  486    HB2  LYS  22           HB2      LYS  22 -15.680  13.064  -6.564
  487    HB3  LYS  22           HB3      LYS  22 -17.046  13.895  -7.308
  488    HG2  LYS  22           HG2      LYS  22 -15.726  14.551  -9.170
  489    HG3  LYS  22           HG3      LYS  22 -14.240  14.026  -8.378
  490    HD2  LYS  22           HD2      LYS  22 -14.914  11.726  -8.520
  491    HD3  LYS  22           HD3      LYS  22 -16.507  12.185  -9.124
  492    HE2  LYS  22           HE2      LYS  22 -14.959  11.380 -10.890
  493    HE3  LYS  22           HE3      LYS  22 -15.562  13.014 -11.163
  494    HZ1  LYS  22           HZ1      LYS  22 -12.912  12.375  -9.981
  495    HZ2  LYS  22           HZ2      LYS  22 -13.483  13.913 -10.402
  496    HZ3  LYS  22           HZ3      LYS  22 -13.170  12.763 -11.610
  497    H    GLU  23           H        GLU  23 -16.130  14.217  -4.085
  498    HA   GLU  23           HA       GLU  23 -18.513  15.839  -3.658
  499    HB2  GLU  23           HB2      GLU  23 -18.523  13.457  -3.042
  500    HB3  GLU  23           HB3      GLU  23 -17.204  13.743  -1.918
  501    HG2  GLU  23           HG2      GLU  23 -19.247  13.591  -0.713
  502    HG3  GLU  23           HG3      GLU  23 -18.669  15.254  -0.637
  503    H    GLY  24           H        GLY  24 -15.400  15.234  -2.037
  504    HA2  GLY  24           HA2      GLY  24 -15.681  17.885  -0.758
  505    HA3  GLY  24           HA3      GLY  24 -14.967  16.502   0.062
  506    H    ASP  25           H        ASP  25 -12.856  16.837   0.274
  507    HA   ASP  25           HA       ASP  25 -11.382  18.073  -1.935
  508    HB2  ASP  25           HB2      ASP  25 -10.983  18.995   0.331
  509    HB3  ASP  25           HB3      ASP  25 -10.420  17.409   0.862
  510    H    LYS  26           H        LYS  26  -9.567  17.086  -2.822
  511    HA   LYS  26           HA       LYS  26  -9.840  14.382  -3.405
  512    HB2  LYS  26           HB2      LYS  26  -7.542  14.607  -4.415
  513    HB3  LYS  26           HB3      LYS  26  -8.743  15.755  -4.980
  514    HG2  LYS  26           HG2      LYS  26  -6.708  16.933  -4.710
  515    HG3  LYS  26           HG3      LYS  26  -7.761  17.432  -3.391
  516    HD2  LYS  26           HD2      LYS  26  -6.598  15.794  -1.926
  517    HD3  LYS  26           HD3      LYS  26  -5.488  15.461  -3.254
  518    HE2  LYS  26           HE2      LYS  26  -4.529  17.044  -1.674
  519    HE3  LYS  26           HE3      LYS  26  -4.770  17.779  -3.256
  520    HZ1  LYS  26           HZ1      LYS  26  -6.763  18.072  -1.077
  521    HZ2  LYS  26           HZ2      LYS  26  -6.589  19.009  -2.484
  522    HZ3  LYS  26           HZ3      LYS  26  -5.445  19.128  -1.243
  523    H    PHE  27           H        PHE  27  -8.413  15.783  -0.633
  524    HA   PHE  27           HA       PHE  27  -6.671  13.522  -0.139
  525    HB2  PHE  27           HB2      PHE  27  -6.307  16.075   0.376
  526    HB3  PHE  27           HB3      PHE  27  -7.198  15.688   1.844
  527    HD1  PHE  27           HD2      PHE  27  -6.298  14.074   3.445
  528    HD2  PHE  27           HD1      PHE  27  -4.127  15.337   0.022
  529    HE1  PHE  27           HE2      PHE  27  -4.210  13.247   4.473
  530    HE2  PHE  27           HE1      PHE  27  -2.036  14.504   1.031
  531    HZ   PHE  27           HZ       PHE  27  -2.078  13.461   3.260
  532    H    LYS  28           H        LYS  28  -9.915  14.166   0.326
  533    HA   LYS  28           HA       LYS  28  -9.963  12.364   2.650
  534    HB2  LYS  28           HB2      LYS  28 -10.430  14.650   3.407
  535    HB3  LYS  28           HB3      LYS  28 -11.690  14.814   2.193
  536    HG2  LYS  28           HG2      LYS  28 -12.654  14.429   4.373
  537    HG3  LYS  28           HG3      LYS  28 -12.988  13.066   3.307
  538    HD2  LYS  28           HD2      LYS  28 -12.362  12.287   5.522
  539    HD3  LYS  28           HD3      LYS  28 -11.149  11.821   4.329
  540    HE2  LYS  28           HE2      LYS  28 -10.132  12.633   6.411
  541    HE3  LYS  28           HE3      LYS  28  -9.717  13.650   5.033
  542    HZ1  LYS  28           HZ1      LYS  28 -11.255  15.296   5.739
  543    HZ2  LYS  28           HZ2      LYS  28 -10.333  14.872   7.095
  544    HZ3  LYS  28           HZ3      LYS  28 -11.915  14.283   6.927
  545    H    LEU  29           H        LEU  29 -10.899  10.572   2.158
  546    HA   LEU  29           HA       LEU  29 -13.090  10.621   0.187
  547    HB2  LEU  29           HB2      LEU  29 -11.302   8.354   1.048
  548    HB3  LEU  29           HB3      LEU  29 -12.727   8.133   0.052
  549    HG   LEU  29           HG       LEU  29 -11.495   9.949  -1.452
  550   HD11  LEU  29          HD11      LEU  29  -9.057   9.449  -1.475
  551   HD12  LEU  29          HD12      LEU  29  -9.604  10.308  -0.031
  552   HD13  LEU  29          HD13      LEU  29  -9.273   8.578   0.043
  553   HD21  LEU  29          HD21      LEU  29 -10.614   8.111  -2.783
  554   HD22  LEU  29          HD22      LEU  29 -10.799   7.018  -1.409
  555   HD23  LEU  29          HD23      LEU  29 -12.222   7.734  -2.166
  556    H    ASN  30           H        ASN  30 -15.012  10.716   1.122
  557    HA   ASN  30           HA       ASN  30 -15.522   9.270   3.584
  558    HB2  ASN  30           HB2      ASN  30 -17.661  10.283   3.620
  559    HB3  ASN  30           HB3      ASN  30 -16.594  11.531   2.990
  560   HD21  ASN  30          HD21      ASN  30 -16.774  12.147   0.833
  561   HD22  ASN  30          HD22      ASN  30 -18.135  11.708  -0.139
  562    H    LYS  31           H        LYS  31 -17.938   8.108   3.256
  563    HA   LYS  31           HA       LYS  31 -17.435   5.657   2.164
  564    HB2  LYS  31           HB2      LYS  31 -20.124   7.017   2.328
  565    HB3  LYS  31           HB3      LYS  31 -19.883   5.297   2.065
  566    HG2  LYS  31           HG2      LYS  31 -18.720   5.187   4.277
  567    HG3  LYS  31           HG3      LYS  31 -19.172   6.880   4.522
  568    HD2  LYS  31           HD2      LYS  31 -21.103   4.612   4.043
  569    HD3  LYS  31           HD3      LYS  31 -20.753   5.343   5.609
  570    HE2  LYS  31           HE2      LYS  31 -21.902   6.797   3.229
  571    HE3  LYS  31           HE3      LYS  31 -22.838   6.193   4.594
  572    HZ1  LYS  31           HZ1      LYS  31 -22.316   8.561   4.784
  573    HZ2  LYS  31           HZ2      LYS  31 -20.662   8.209   4.781
  574    HZ3  LYS  31           HZ3      LYS  31 -21.641   7.669   6.054
  575    H    SER  32           H        SER  32 -19.106   8.336   0.478
  576    HA   SER  32           HA       SER  32 -19.741   6.810  -1.808
  577    HB2  SER  32           HB2      SER  32 -20.208   9.020  -2.874
  578    HB3  SER  32           HB3      SER  32 -20.995   8.806  -1.312
  579    HG   SER  32           HG       SER  32 -18.751  10.404  -1.982
  580    H    GLU  33           H        GLU  33 -16.915   8.731  -0.994
  581    HA   GLU  33           HA       GLU  33 -15.952   8.919  -3.682
  582    HB2  GLU  33           HB2      GLU  33 -14.335   9.217  -1.143
  583    HB3  GLU  33           HB3      GLU  33 -13.969   9.889  -2.727
  584    HG2  GLU  33           HG2      GLU  33 -16.124  10.725  -0.812
  585    HG3  GLU  33           HG3      GLU  33 -14.756  11.668  -1.396
  586    H    LEU  34           H        LEU  34 -15.206   6.954  -0.857
  587    HA   LEU  34           HA       LEU  34 -13.240   5.349  -2.085
  588    HB2  LEU  34           HB2      LEU  34 -14.988   5.067   0.323
  589    HB3  LEU  34           HB3      LEU  34 -14.064   3.690  -0.242
  590    HG   LEU  34           HG       LEU  34 -12.798   6.338   0.403
  591   HD11  LEU  34          HD11      LEU  34 -12.119   5.293   2.519
  592   HD12  LEU  34          HD12      LEU  34 -13.869   5.491   2.401
  593   HD13  LEU  34          HD13      LEU  34 -13.142   3.904   2.147
  594   HD21  LEU  34          HD21      LEU  34 -10.762   5.007   0.458
  595   HD22  LEU  34          HD22      LEU  34 -11.687   3.552   0.083
  596   HD23  LEU  34          HD23      LEU  34 -11.570   4.852  -1.103
  597    H    LYS  35           H        LYS  35 -16.751   5.005  -1.734
  598    HA   LYS  35           HA       LYS  35 -16.978   2.424  -2.733
  599    HB2  LYS  35           HB2      LYS  35 -18.850   3.652  -1.678
  600    HB3  LYS  35           HB3      LYS  35 -18.969   4.669  -3.110
  601    HG2  LYS  35           HG2      LYS  35 -19.728   2.908  -4.444
  602    HG3  LYS  35           HG3      LYS  35 -19.197   1.686  -3.289
  603    HD2  LYS  35           HD2      LYS  35 -21.541   1.784  -3.078
  604    HD3  LYS  35           HD3      LYS  35 -20.914   2.669  -1.689
  605    HE2  LYS  35           HE2      LYS  35 -21.272   4.775  -2.902
  606    HE3  LYS  35           HE3      LYS  35 -21.936   3.851  -4.251
  607    HZ1  LYS  35           HZ1      LYS  35 -23.670   4.770  -2.813
  608    HZ2  LYS  35           HZ2      LYS  35 -23.053   3.886  -1.498
  609    HZ3  LYS  35           HZ3      LYS  35 -23.705   3.073  -2.838
  610    H    GLU  36           H        GLU  36 -17.269   5.488  -4.550
  611    HA   GLU  36           HA       GLU  36 -17.634   4.267  -7.047
  612    HB2  GLU  36           HB2      GLU  36 -17.909   6.744  -6.375
  613    HB3  GLU  36           HB3      GLU  36 -16.189   6.877  -6.719
  614    HG2  GLU  36           HG2      GLU  36 -16.588   6.064  -8.988
  615    HG3  GLU  36           HG3      GLU  36 -18.313   5.976  -8.644
  616    H    LEU  37           H        LEU  37 -14.720   5.281  -5.356
  617    HA   LEU  37           HA       LEU  37 -12.814   4.745  -7.314
  618    HB2  LEU  37           HB2      LEU  37 -12.596   5.852  -5.006
  619    HB3  LEU  37           HB3      LEU  37 -12.418   4.223  -4.384
  620    HG   LEU  37           HG       LEU  37 -10.608   4.951  -6.603
  621   HD11  LEU  37          HD11      LEU  37  -9.107   6.179  -5.103
  622   HD12  LEU  37          HD12      LEU  37 -10.635   7.030  -5.337
  623   HD13  LEU  37          HD13      LEU  37 -10.341   6.139  -3.844
  624   HD21  LEU  37          HD21      LEU  37 -10.487   2.788  -5.473
  625   HD22  LEU  37          HD22      LEU  37  -9.017   3.726  -5.209
  626   HD23  LEU  37          HD23      LEU  37 -10.225   3.603  -3.930
  627    H    LEU  38           H        LEU  38 -14.082   2.617  -4.773
  628    HA   LEU  38           HA       LEU  38 -12.652   0.333  -5.649
  629    HB2  LEU  38           HB2      LEU  38 -14.934   0.795  -3.782
  630    HB3  LEU  38           HB3      LEU  38 -14.546  -0.843  -4.268
  631    HG   LEU  38           HG       LEU  38 -12.119   0.392  -3.461
  632   HD11  LEU  38          HD11      LEU  38 -14.354   0.751  -1.475
  633   HD12  LEU  38          HD12      LEU  38 -12.634   0.941  -1.134
  634   HD13  LEU  38          HD13      LEU  38 -13.436   2.036  -2.259
  635   HD21  LEU  38          HD21      LEU  38 -12.634  -1.989  -3.355
  636   HD22  LEU  38          HD22      LEU  38 -12.148  -1.375  -1.774
  637   HD23  LEU  38          HD23      LEU  38 -13.851  -1.678  -2.117
  638    H    THR  39           H        THR  39 -15.882   1.558  -6.386
  639    HA   THR  39           HA       THR  39 -16.854  -0.790  -7.619
  640    HB   THR  39           HB       THR  39 -18.524   0.630  -8.764
  641    HG1  THR  39           HG1      THR  39 -16.725   2.612  -8.064
  642   HG21  THR  39          HG21      THR  39 -19.642   1.466  -6.774
  643   HG22  THR  39          HG22      THR  39 -18.131   1.373  -5.868
  644   HG23  THR  39          HG23      THR  39 -18.903  -0.102  -6.450
  645    H    ARG  40           H        ARG  40 -14.858   1.806  -8.812
  646    HA   ARG  40           HA       ARG  40 -15.130   0.893 -11.559
  647    HB2  ARG  40           HB2      ARG  40 -13.502   3.167 -10.415
  648    HB3  ARG  40           HB3      ARG  40 -13.732   2.832 -12.124
  649    HG2  ARG  40           HG2      ARG  40 -15.796   3.735 -10.135
  650    HG3  ARG  40           HG3      ARG  40 -15.187   4.611 -11.538
  651    HD2  ARG  40           HD2      ARG  40 -16.861   2.105 -11.547
  652    HD3  ARG  40           HD3      ARG  40 -17.377   3.723 -12.018
  653    HE   ARG  40           HE       ARG  40 -15.435   3.373 -13.760
  654   HH11  ARG  40          HH12      ARG  40 -17.858   1.076 -12.693
  655   HH12  ARG  40          HH11      ARG  40 -17.858   0.182 -14.185
  656   HH21  ARG  40          HH22      ARG  40 -15.437   2.214 -15.724
  657   HH22  ARG  40          HH21      ARG  40 -16.484   0.839 -15.920
  658    H    GLU  41           H        GLU  41 -12.487   1.405  -9.218
  659    HA   GLU  41           HA       GLU  41 -10.744  -0.069 -11.042
  660    HB2  GLU  41           HB2      GLU  41 -10.302   2.087  -9.058
  661    HB3  GLU  41           HB3      GLU  41  -8.980   0.971  -9.381
  662    HG2  GLU  41           HG2      GLU  41  -8.905   1.543 -11.640
  663    HG3  GLU  41           HG3      GLU  41 -10.456   2.372 -11.579
  664    H    LEU  42           H        LEU  42 -12.376  -0.641  -8.132
  665    HA   LEU  42           HA       LEU  42 -10.586  -2.941  -7.690
  666    HB2  LEU  42           HB2      LEU  42 -11.978  -1.383  -5.507
  667    HB3  LEU  42           HB3      LEU  42 -11.002  -2.819  -5.277
  668    HG   LEU  42           HG       LEU  42  -9.094  -1.395  -6.313
  669   HD11  LEU  42          HD11      LEU  42 -10.364   0.501  -7.054
  670   HD12  LEU  42          HD12      LEU  42 -11.044   0.749  -5.442
  671   HD13  LEU  42          HD13      LEU  42  -9.315   1.011  -5.722
  672   HD21  LEU  42          HD21      LEU  42  -8.511  -0.585  -4.087
  673   HD22  LEU  42          HD22      LEU  42 -10.168  -0.854  -3.549
  674   HD23  LEU  42          HD23      LEU  42  -9.161  -2.223  -4.021
  675    HA   PRO  43           HA       PRO  43 -15.305  -3.699  -7.790
  676    HB2  PRO  43           HB2      PRO  43 -15.724  -4.740 -10.242
  677    HB3  PRO  43           HB3      PRO  43 -15.738  -3.000  -9.938
  678    HG2  PRO  43           HG2      PRO  43 -13.599  -4.701 -11.132
  679    HG3  PRO  43           HG3      PRO  43 -14.102  -3.060 -11.567
  680    HD2  PRO  43           HD2      PRO  43 -11.895  -3.665 -10.030
  681    HD3  PRO  43           HD3      PRO  43 -12.743  -2.109  -9.998
  682    H    SER  44           H        SER  44 -12.590  -5.577  -8.825
  683    HA   SER  44           HA       SER  44 -13.755  -8.146  -8.577
  684    HB2  SER  44           HB2      SER  44 -10.846  -7.375  -8.200
  685    HB3  SER  44           HB3      SER  44 -11.473  -8.967  -8.632
  686    HG   SER  44           HG       SER  44 -11.095  -6.705 -10.207
  687    H    PHE  45           H        PHE  45 -12.873  -5.758  -6.338
  688    HA   PHE  45           HA       PHE  45 -12.591  -7.674  -4.134
  689    HB2  PHE  45           HB2      PHE  45 -11.855  -4.743  -4.265
  690    HB3  PHE  45           HB3      PHE  45 -11.603  -5.796  -2.877
  691    HD1  PHE  45           HD2      PHE  45 -10.080  -7.808  -3.171
  692    HD2  PHE  45           HD1      PHE  45 -10.257  -4.592  -5.953
  693    HE1  PHE  45           HE2      PHE  45  -7.886  -8.467  -4.066
  694    HE2  PHE  45           HE1      PHE  45  -8.064  -5.247  -6.855
  695    HZ   PHE  45           HZ       PHE  45  -6.875  -7.187  -5.911
  696    H    LEU  46           H        LEU  46 -15.140  -6.464  -5.479
  697    HA   LEU  46           HA       LEU  46 -16.284  -5.414  -2.980
  698    HB2  LEU  46           HB2      LEU  46 -17.113  -4.835  -5.811
  699    HB3  LEU  46           HB3      LEU  46 -17.995  -4.293  -4.381
  700    HG   LEU  46           HG       LEU  46 -15.189  -3.501  -5.176
  701   HD11  LEU  46          HD11      LEU  46 -16.941  -2.418  -6.472
  702   HD12  LEU  46          HD12      LEU  46 -17.758  -1.939  -4.984
  703   HD13  LEU  46          HD13      LEU  46 -16.171  -1.274  -5.373
  704   HD21  LEU  46          HD21      LEU  46 -15.203  -2.094  -3.201
  705   HD22  LEU  46          HD22      LEU  46 -16.810  -2.682  -2.769
  706   HD23  LEU  46          HD23      LEU  46 -15.434  -3.785  -2.743
  707    H    GLY  47           H        GLY  47 -16.754  -7.734  -5.545
  708    HA2  GLY  47           HA2      GLY  47 -18.155  -9.587  -5.568
  709    HA3  GLY  47           HA3      GLY  47 -18.777  -9.091  -3.999
  710    H    LYS  48           H        LYS  48 -18.691  -6.758  -6.474
  711    HA   LYS  48           HA       LYS  48 -20.173  -5.767  -7.858
  712    HB2  LYS  48           HB2      LYS  48 -20.722  -8.063  -8.631
  713    HB3  LYS  48           HB3      LYS  48 -21.973  -8.147  -7.399
  714    HG2  LYS  48           HG2      LYS  48 -22.989  -7.598  -9.494
  715    HG3  LYS  48           HG3      LYS  48 -23.064  -6.179  -8.443
  716    HD2  LYS  48           HD2      LYS  48 -21.056  -5.286  -9.561
  717    HD3  LYS  48           HD3      LYS  48 -21.065  -6.676 -10.642
  718    HE2  LYS  48           HE2      LYS  48 -22.103  -4.932 -11.840
  719    HE3  LYS  48           HE3      LYS  48 -23.414  -5.977 -11.291
  720    HZ1  LYS  48           HZ1      LYS  48 -23.736  -4.421  -9.407
  721    HZ2  LYS  48           HZ2      LYS  48 -24.025  -3.715 -10.921
  722    HZ3  LYS  48           HZ3      LYS  48 -22.578  -3.388 -10.097
  723    H    ARG  49           H        ARG  49 -21.998  -7.355  -5.274
  724    HA   ARG  49           HA       ARG  49 -23.946  -5.238  -5.187
  725    HB2  ARG  49           HB2      ARG  49 -24.852  -6.596  -3.241
  726    HB3  ARG  49           HB3      ARG  49 -24.801  -7.406  -4.801
  727    HG2  ARG  49           HG2      ARG  49 -22.870  -8.655  -4.169
  728    HG3  ARG  49           HG3      ARG  49 -22.676  -7.713  -2.693
  729    HD2  ARG  49           HD2      ARG  49 -23.677  -9.972  -2.356
  730    HD3  ARG  49           HD3      ARG  49 -24.657  -8.639  -1.751
  731    HE   ARG  49           HE       ARG  49 -26.025  -8.889  -3.787
  732   HH11  ARG  49          HH12      ARG  49 -23.971 -11.588  -2.869
  733   HH12  ARG  49          HH11      ARG  49 -25.040 -12.778  -3.554
  734   HH21  ARG  49          HH22      ARG  49 -27.397 -10.440  -4.683
  735   HH22  ARG  49          HH21      ARG  49 -26.982 -12.124  -4.600
  736    H    THR  50           H        THR  50 -21.696  -3.927  -4.690
  737    HA   THR  50           HA       THR  50 -21.328  -3.772  -1.816
  738    HB   THR  50           HB       THR  50 -19.772  -1.775  -2.838
  739    HG1  THR  50           HG1      THR  50 -20.084  -2.272  -4.972
  740   HG21  THR  50          HG21      THR  50 -19.134  -3.484  -1.213
  741   HG22  THR  50          HG22      THR  50 -17.947  -3.389  -2.513
  742   HG23  THR  50          HG23      THR  50 -19.119  -4.706  -2.484
  743    H    ASP  51           H        ASP  51 -22.918  -2.815  -0.877
  744    HA   ASP  51           HA       ASP  51 -23.558  -0.065  -1.704
  745    HB2  ASP  51           HB2      ASP  51 -25.176  -2.096  -0.174
  746    HB3  ASP  51           HB3      ASP  51 -25.555  -0.377  -0.112
  747    H    GLU  52           H        GLU  52 -24.563   0.891   0.636
  748    HA   GLU  52           HA       GLU  52 -22.256   1.637   2.046
  749    HB2  GLU  52           HB2      GLU  52 -25.098   1.809   3.048
  750    HB3  GLU  52           HB3      GLU  52 -23.743   2.834   3.501
  751    HG2  GLU  52           HG2      GLU  52 -24.924   2.695   0.737
  752    HG3  GLU  52           HG3      GLU  52 -25.343   3.909   1.945
  753    H    ALA  53           H        ALA  53 -24.283  -1.107   2.320
  754    HA   ALA  53           HA       ALA  53 -23.886  -1.749   5.044
  755    HB1  ALA  53           HB1      ALA  53 -24.651  -3.986   4.429
  756    HB2  ALA  53           HB2      ALA  53 -25.675  -2.741   3.709
  757    HB3  ALA  53           HB3      ALA  53 -24.479  -3.578   2.721
  758    H    ALA  54           H        ALA  54 -22.311  -3.066   2.102
  759    HA   ALA  54           HA       ALA  54 -20.340  -4.497   3.579
  760    HB1  ALA  54           HB1      ALA  54 -20.872  -5.236   1.348
  761    HB2  ALA  54           HB2      ALA  54 -20.389  -3.679   0.673
  762    HB3  ALA  54           HB3      ALA  54 -19.170  -4.737   1.401
  763    H    PHE  55           H        PHE  55 -20.511  -1.268   2.216
  764    HA   PHE  55           HA       PHE  55 -17.716  -0.761   2.445
  765    HB2  PHE  55           HB2      PHE  55 -20.105   0.856   1.744
  766    HB3  PHE  55           HB3      PHE  55 -18.654   1.716   2.261
  767    HD1  PHE  55           HD2      PHE  55 -16.621   1.619   0.973
  768    HD2  PHE  55           HD1      PHE  55 -20.135  -0.402  -0.321
  769    HE1  PHE  55           HE2      PHE  55 -15.624   1.313  -1.250
  770    HE2  PHE  55           HE1      PHE  55 -19.137  -0.715  -2.546
  771    HZ   PHE  55           HZ       PHE  55 -16.881   0.144  -3.013
  772    H    GLN  56           H        GLN  56 -20.243  -0.793   4.709
  773    HA   GLN  56           HA       GLN  56 -19.419   1.196   6.491
  774    HB2  GLN  56           HB2      GLN  56 -21.578  -0.030   6.613
  775    HB3  GLN  56           HB3      GLN  56 -20.708  -1.445   7.188
  776    HG2  GLN  56           HG2      GLN  56 -20.045  -0.300   9.185
  777    HG3  GLN  56           HG3      GLN  56 -20.717   1.217   8.588
  778   HE21  GLN  56          HE21      GLN  56 -21.417  -1.899   9.937
  779   HE22  GLN  56          HE22      GLN  56 -23.082  -1.590  10.298
  780    H    LYS  57           H        LYS  57 -18.483  -2.259   6.344
  781    HA   LYS  57           HA       LYS  57 -16.779  -2.027   8.631
  782    HB2  LYS  57           HB2      LYS  57 -17.643  -4.155   6.854
  783    HB3  LYS  57           HB3      LYS  57 -15.926  -4.267   7.209
  784    HG2  LYS  57           HG2      LYS  57 -18.002  -3.999   9.363
  785    HG3  LYS  57           HG3      LYS  57 -17.508  -5.557   8.707
  786    HD2  LYS  57           HD2      LYS  57 -16.154  -5.347  10.580
  787    HD3  LYS  57           HD3      LYS  57 -15.100  -4.768   9.290
  788    HE2  LYS  57           HE2      LYS  57 -15.499  -2.491   9.898
  789    HE3  LYS  57           HE3      LYS  57 -16.769  -2.955  11.030
  790    HZ1  LYS  57           HZ1      LYS  57 -13.850  -3.442  11.276
  791    HZ2  LYS  57           HZ2      LYS  57 -15.000  -4.181  12.279
  792    HZ3  LYS  57           HZ3      LYS  57 -14.834  -2.495  12.286
  793    H    LEU  58           H        LEU  58 -16.384  -1.853   5.174
  794    HA   LEU  58           HA       LEU  58 -13.597  -1.962   4.999
  795    HB2  LEU  58           HB2      LEU  58 -14.908  -2.091   3.014
  796    HB3  LEU  58           HB3      LEU  58 -15.675  -0.550   3.340
  797    HG   LEU  58           HG       LEU  58 -13.697   0.657   2.787
  798   HD11  LEU  58          HD11      LEU  58 -12.035  -0.727   3.824
  799   HD12  LEU  58          HD12      LEU  58 -12.323  -2.023   2.667
  800   HD13  LEU  58          HD13      LEU  58 -11.613  -0.504   2.127
  801   HD21  LEU  58          HD21      LEU  58 -13.214  -0.296   0.461
  802   HD22  LEU  58          HD22      LEU  58 -14.392  -1.542   0.866
  803   HD23  LEU  58          HD23      LEU  58 -14.878   0.152   0.836
  804    H    MET  59           H        MET  59 -15.521   0.978   4.717
  805    HA   MET  59           HA       MET  59 -13.510   2.803   5.243
  806    HB2  MET  59           HB2      MET  59 -15.334   3.857   4.419
  807    HB3  MET  59           HB3      MET  59 -16.465   2.854   5.306
  808    HG2  MET  59           HG2      MET  59 -16.482   4.236   7.108
  809    HG3  MET  59           HG3      MET  59 -14.838   4.801   6.846
  810    HE1  MET  59           HE1      MET  59 -15.141   7.624   4.396
  811    HE2  MET  59           HE2      MET  59 -14.314   7.072   5.863
  812    HE3  MET  59           HE3      MET  59 -14.369   6.035   4.435
  813    H    SER  60           H        SER  60 -15.557   1.111   7.573
  814    HA   SER  60           HA       SER  60 -14.829   2.516   9.887
  815    HB2  SER  60           HB2      SER  60 -16.657   0.819   9.714
  816    HB3  SER  60           HB3      SER  60 -15.412  -0.431   9.628
  817    HG   SER  60           HG       SER  60 -16.393   0.058  11.767
  818    H    ASN  61           H        ASN  61 -13.409  -0.346   8.364
  819    HA   ASN  61           HA       ASN  61 -11.397  -0.718  10.388
  820    HB2  ASN  61           HB2      ASN  61 -11.895  -1.874   7.664
  821    HB3  ASN  61           HB3      ASN  61 -10.417  -2.229   8.543
  822   HD21  ASN  61          HD21      ASN  61 -12.451  -4.054   7.706
  823   HD22  ASN  61          HD22      ASN  61 -13.063  -4.806   9.143
  824    H    LEU  62           H        LEU  62 -11.618   0.634   7.208
  825    HA   LEU  62           HA       LEU  62  -9.011   1.391   6.703
  826    HB2  LEU  62           HB2      LEU  62 -11.492   1.850   5.581
  827    HB3  LEU  62           HB3      LEU  62 -10.942   3.460   6.016
  828    HG   LEU  62           HG       LEU  62  -8.941   3.186   4.710
  829   HD11  LEU  62          HD11      LEU  62  -9.953   0.385   4.461
  830   HD12  LEU  62          HD12      LEU  62  -8.801   1.069   3.310
  831   HD13  LEU  62          HD13      LEU  62  -8.375   0.949   5.017
  832   HD21  LEU  62          HD21      LEU  62 -11.370   2.272   3.179
  833   HD22  LEU  62          HD22      LEU  62 -10.932   3.946   3.519
  834   HD23  LEU  62          HD23      LEU  62  -9.905   2.960   2.477
  835    H    ASP  63           H        ASP  63 -11.516   3.377   8.231
  836    HA   ASP  63           HA       ASP  63  -9.690   5.456   8.915
  837    HB2  ASP  63           HB2      ASP  63 -12.207   5.659   8.486
  838    HB3  ASP  63           HB3      ASP  63 -12.424   5.021  10.112
  839    H    SER  64           H        SER  64  -8.104   4.915  10.280
  840    HA   SER  64           HA       SER  64  -8.534   2.967  12.369
  841    HB2  SER  64           HB2      SER  64  -6.151   3.027  12.663
  842    HB3  SER  64           HB3      SER  64  -6.462   3.083  10.927
  843    HG   SER  64           HG       SER  64  -6.243   5.423  11.120
  844    H    ASN  65           H        ASN  65  -8.428   6.384  12.026
  845    HA   ASN  65           HA       ASN  65  -7.936   6.897  14.831
  846    HB2  ASN  65           HB2      ASN  65  -8.114   9.238  14.270
  847    HB3  ASN  65           HB3      ASN  65  -7.131   8.442  13.047
  848   HD21  ASN  65          HD21      ASN  65  -8.012   8.104  10.965
  849   HD22  ASN  65          HD22      ASN  65  -9.366   9.034  10.414
  850    H    ARG  66           H        ARG  66 -10.568   6.044  12.949
  851    HA   ARG  66           HA       ARG  66 -12.694   5.525  13.507
  852    HB2  ARG  66           HB2      ARG  66 -11.884   6.313  16.310
  853    HB3  ARG  66           HB3      ARG  66 -13.342   5.433  15.874
  854    HG2  ARG  66           HG2      ARG  66 -10.518   4.463  15.462
  855    HG3  ARG  66           HG3      ARG  66 -11.612   3.949  16.749
  856    HD2  ARG  66           HD2      ARG  66 -12.091   3.590  13.792
  857    HD3  ARG  66           HD3      ARG  66 -11.532   2.334  14.898
  858    HE   ARG  66           HE       ARG  66 -13.834   3.193  16.047
  859   HH11  ARG  66          HH12      ARG  66 -13.034   2.050  12.831
  860   HH12  ARG  66          HH11      ARG  66 -14.616   1.401  12.533
  861   HH21  ARG  66          HH22      ARG  66 -15.901   2.364  15.658
  862   HH22  ARG  66          HH21      ARG  66 -16.263   1.598  14.138
  863    H    ASP  67           H        ASP  67 -12.586   7.800  12.226
  864    HA   ASP  67           HA       ASP  67 -14.608   9.424  13.637
  865    HB2  ASP  67           HB2      ASP  67 -12.406  10.602  13.602
  866    HB3  ASP  67           HB3      ASP  67 -12.453  10.559  11.843
  867    H    ASN  68           H        ASN  68 -13.776   7.571  11.014
  868    HA   ASN  68           HA       ASN  68 -14.913   6.895   9.174
  869    HB2  ASN  68           HB2      ASN  68 -17.083   8.693  10.266
  870    HB3  ASN  68           HB3      ASN  68 -17.275   7.698   8.829
  871   HD21  ASN  68          HD21      ASN  68 -18.915   6.485   9.713
  872   HD22  ASN  68          HD22      ASN  68 -18.658   5.328  10.977
  873    H    GLU  69           H        GLU  69 -13.034   8.931   8.959
  874    HA   GLU  69           HA       GLU  69 -13.885  10.024   6.397
  875    HB2  GLU  69           HB2      GLU  69 -12.962  11.683   8.722
  876    HB3  GLU  69           HB3      GLU  69 -12.560  12.179   7.083
  877    HG2  GLU  69           HG2      GLU  69 -14.996  12.122   6.553
  878    HG3  GLU  69           HG3      GLU  69 -15.302  11.838   8.268
  879    H    VAL  70           H        VAL  70 -12.471   8.840   5.212
  880    HA   VAL  70           HA       VAL  70  -9.964   8.035   6.283
  881    HB   VAL  70           HB       VAL  70 -11.018   7.759   3.473
  882   HG11  VAL  70          HG11      VAL  70  -8.616   7.627   3.429
  883   HG12  VAL  70          HG12      VAL  70  -8.618   6.513   4.797
  884   HG13  VAL  70          HG13      VAL  70  -9.286   6.005   3.245
  885   HG21  VAL  70          HG21      VAL  70 -11.469   5.452   4.128
  886   HG22  VAL  70          HG22      VAL  70 -10.896   5.801   5.758
  887   HG23  VAL  70          HG23      VAL  70 -12.352   6.588   5.148
  888    H    ASP  71           H        ASP  71  -8.530   9.554   6.644
  889    HA   ASP  71           HA       ASP  71  -7.658  11.498   4.734
  890    HB2  ASP  71           HB2      ASP  71  -7.240  11.657   7.198
  891    HB3  ASP  71           HB3      ASP  71  -6.184  10.252   7.083
  892    H    PHE  72           H        PHE  72  -5.384  11.311   3.725
  893    HA   PHE  72           HA       PHE  72  -5.103   8.958   2.241
  894    HB2  PHE  72           HB2      PHE  72  -4.005  11.151   1.685
  895    HB3  PHE  72           HB3      PHE  72  -2.820  10.807   2.949
  896    HD1  PHE  72           HD1      PHE  72  -4.073   9.841  -0.336
  897    HD2  PHE  72           HD2      PHE  72  -1.185   9.062   2.678
  898    HE1  PHE  72           HE1      PHE  72  -2.839   8.429  -1.906
  899    HE2  PHE  72           HE2      PHE  72   0.065   7.648   1.112
  900    HZ   PHE  72           HZ       PHE  72  -0.728   7.340  -1.165
  901    H    GLN  73           H        GLN  73  -3.868   9.873   5.364
  902    HA   GLN  73           HA       GLN  73  -2.051   7.858   5.886
  903    HB2  GLN  73           HB2      GLN  73  -2.486   9.728   7.410
  904    HB3  GLN  73           HB3      GLN  73  -4.080   9.080   7.764
  905    HG2  GLN  73           HG2      GLN  73  -2.559   8.566   9.557
  906    HG3  GLN  73           HG3      GLN  73  -3.047   7.086   8.735
  907   HE21  GLN  73          HE21      GLN  73  -1.548   6.014   7.419
  908   HE22  GLN  73          HE22      GLN  73   0.151   6.306   7.565
  909    H    GLU  74           H        GLU  74  -5.593   7.800   6.241
  910    HA   GLU  74           HA       GLU  74  -5.571   5.048   7.138
  911    HB2  GLU  74           HB2      GLU  74  -8.044   6.470   6.210
  912    HB3  GLU  74           HB3      GLU  74  -7.864   5.288   7.498
  913    HG2  GLU  74           HG2      GLU  74  -6.899   8.132   7.590
  914    HG3  GLU  74           HG3      GLU  74  -8.374   7.531   8.335
  915    H    TYR  75           H        TYR  75  -5.283   6.616   4.251
  916    HA   TYR  75           HA       TYR  75  -6.812   4.740   2.651
  917    HB2  TYR  75           HB2      TYR  75  -6.768   7.218   2.205
  918    HB3  TYR  75           HB3      TYR  75  -5.090   7.043   1.723
  919    HD1  TYR  75           HD2      TYR  75  -4.628   5.314  -0.168
  920    HD2  TYR  75           HD1      TYR  75  -8.453   7.031   0.628
  921    HE1  TYR  75           HE2      TYR  75  -5.343   4.727  -2.448
  922    HE2  TYR  75           HE1      TYR  75  -9.172   6.438  -1.663
  923    HH   TYR  75           HH       TYR  75  -7.422   4.319  -3.659
  924    H    CYS  76           H        CYS  76  -3.438   5.484   3.412
  925    HA   CYS  76           HA       CYS  76  -2.240   3.901   1.408
  926    HB2  CYS  76           HB2      CYS  76  -0.240   3.920   2.751
  927    HB3  CYS  76           HB3      CYS  76  -0.998   5.487   2.909
  928    HG   CYS  76           HG       CYS  76  -0.046   3.469   5.254
  929    H    VAL  77           H        VAL  77  -3.465   3.144   4.595
  930    HA   VAL  77           HA       VAL  77  -2.542   0.447   4.553
  931    HB   VAL  77           HB       VAL  77  -3.879   0.167   6.599
  932   HG11  VAL  77          HG11      VAL  77  -1.613   1.036   6.708
  933   HG12  VAL  77          HG12      VAL  77  -2.218   2.679   6.500
  934   HG13  VAL  77          HG13      VAL  77  -2.622   1.765   7.951
  935   HG21  VAL  77          HG21      VAL  77  -5.761   1.628   6.032
  936   HG22  VAL  77          HG22      VAL  77  -5.038   2.087   7.574
  937   HG23  VAL  77          HG23      VAL  77  -4.700   3.034   6.126
  938    H    PHE  78           H        PHE  78  -5.279   2.077   3.290
  939    HA   PHE  78           HA       PHE  78  -7.141   0.042   3.087
  940    HB2  PHE  78           HB2      PHE  78  -7.585   2.346   2.332
  941    HB3  PHE  78           HB3      PHE  78  -6.385   2.176   1.059
  942    HD1  PHE  78           HD1      PHE  78  -9.139  -0.136   2.059
  943    HD2  PHE  78           HD2      PHE  78  -7.464   2.436  -0.879
  944    HE1  PHE  78           HE1      PHE  78 -10.872  -0.835   0.461
  945    HE2  PHE  78           HE2      PHE  78  -9.178   1.748  -2.484
  946    HZ   PHE  78           HZ       PHE  78 -10.898   0.110  -1.815
  947    H    LEU  79           H        LEU  79  -4.741   0.956   0.665
  948    HA   LEU  79           HA       LEU  79  -5.330  -1.337  -0.893
  949    HB2  LEU  79           HB2      LEU  79  -3.194   0.762  -1.114
  950    HB3  LEU  79           HB3      LEU  79  -3.492  -0.479  -2.326
  951    HG   LEU  79           HG       LEU  79  -5.434   1.642  -1.432
  952   HD11  LEU  79          HD11      LEU  79  -3.793   2.584  -2.862
  953   HD12  LEU  79          HD12      LEU  79  -3.902   1.227  -3.984
  954   HD13  LEU  79          HD13      LEU  79  -5.257   2.343  -3.812
  955   HD21  LEU  79          HD21      LEU  79  -5.773  -0.529  -3.489
  956   HD22  LEU  79          HD22      LEU  79  -6.480  -0.545  -1.870
  957   HD23  LEU  79          HD23      LEU  79  -6.961   0.694  -3.033
  958    H    SER  80           H        SER  80  -2.533  -0.452   1.114
  959    HA   SER  80           HA       SER  80  -0.991  -2.649   0.271
  960    HB2  SER  80           HB2      SER  80  -0.859  -0.994   2.783
  961    HB3  SER  80           HB3      SER  80   0.370  -2.164   2.292
  962    HG   SER  80           HG       SER  80   1.142  -0.678   1.053
  963    H    CYS  81           H        CYS  81  -3.475  -2.327   2.706
  964    HA   CYS  81           HA       CYS  81  -2.959  -4.963   3.737
  965    HB2  CYS  81           HB2      CYS  81  -5.155  -2.971   4.213
  966    HB3  CYS  81           HB3      CYS  81  -5.135  -4.574   4.958
  967    HG   CYS  81           HG       CYS  81  -2.585  -2.321   5.305
  968    H    ILE  82           H        ILE  82  -4.720  -3.636   1.087
  969    HA   ILE  82           HA       ILE  82  -6.361  -6.001   0.783
  970    HB   ILE  82           HB       ILE  82  -5.816  -4.042  -1.452
  971   HG12  ILE  82          HG12      ILE  82  -7.932  -3.860   0.701
  972   HG13  ILE  82          HG13      ILE  82  -6.592  -2.740   0.468
  973   HG21  ILE  82          HG21      ILE  82  -8.260  -5.698  -0.820
  974   HG22  ILE  82          HG22      ILE  82  -7.919  -4.812  -2.306
  975   HG23  ILE  82          HG23      ILE  82  -6.962  -6.238  -1.895
  976   HD11  ILE  82          HD11      ILE  82  -8.658  -1.821  -0.392
  977   HD12  ILE  82          HD12      ILE  82  -7.508  -2.100  -1.699
  978   HD13  ILE  82          HD13      ILE  82  -8.853  -3.215  -1.457
  979    H    ALA  83           H        ALA  83  -3.140  -4.928  -0.145
  980    HA   ALA  83           HA       ALA  83  -2.401  -6.903  -1.930
  981    HB1  ALA  83           HB1      ALA  83  -0.862  -6.020   0.514
  982    HB2  ALA  83           HB2      ALA  83  -0.188  -6.857  -0.884
  983    HB3  ALA  83           HB3      ALA  83  -0.837  -5.226  -1.060
  984    H    MET  84           H        MET  84  -2.198  -7.126   1.586
  985    HA   MET  84           HA       MET  84  -1.747  -9.876   1.758
  986    HB2  MET  84           HB2      MET  84  -3.031  -7.976   3.715
  987    HB3  MET  84           HB3      MET  84  -2.641  -9.646   4.103
  988    HG2  MET  84           HG2      MET  84  -0.299  -9.230   3.746
  989    HG3  MET  84           HG3      MET  84  -0.641  -7.584   3.213
  990    HE1  MET  84           HE1      MET  84  -1.398  -5.616   4.841
  991    HE2  MET  84           HE2      MET  84  -2.840  -6.611   5.057
  992    HE3  MET  84           HE3      MET  84  -2.011  -5.936   6.463
  993    H    MET  85           H        MET  85  -4.753  -8.042   1.751
  994    HA   MET  85           HA       MET  85  -6.442 -10.242   2.239
  995    HB2  MET  85           HB2      MET  85  -7.163  -7.910   2.584
  996    HB3  MET  85           HB3      MET  85  -7.049  -7.630   0.845
  997    HG2  MET  85           HG2      MET  85  -8.716  -9.919   1.514
  998    HG3  MET  85           HG3      MET  85  -9.298  -8.398   2.193
  999    HE1  MET  85           HE1      MET  85 -10.407  -6.305  -0.679
 1000    HE2  MET  85           HE2      MET  85 -10.872  -6.912   0.915
 1001    HE3  MET  85           HE3      MET  85  -9.281  -6.163   0.681
 1002    H    CYS  86           H        CYS  86  -5.295  -8.737  -0.785
 1003    HA   CYS  86           HA       CYS  86  -6.752 -10.390  -2.535
 1004    HB2  CYS  86           HB2      CYS  86  -5.620  -8.259  -3.173
 1005    HB3  CYS  86           HB3      CYS  86  -4.070  -9.081  -3.034
 1006    HG   CYS  86           HG       CYS  86  -5.672 -10.992  -5.003
 1007    H    ASN  87           H        ASN  87  -4.015 -11.064  -0.559
 1008    HA   ASN  87           HA       ASN  87  -3.057 -13.281  -2.097
 1009    HB2  ASN  87           HB2      ASN  87  -1.607 -12.170  -0.450
 1010    HB3  ASN  87           HB3      ASN  87  -2.681 -12.679   0.849
 1011   HD21  ASN  87          HD21      ASN  87  -2.605 -14.773   1.584
 1012   HD22  ASN  87          HD22      ASN  87  -1.398 -15.910   1.073
 1013    H    GLU  88           H        GLU  88  -5.435 -12.830   0.446
 1014    HA   GLU  88           HA       GLU  88  -6.024 -15.638   0.694
 1015    HB2  GLU  88           HB2      GLU  88  -6.470 -13.907   2.483
 1016    HB3  GLU  88           HB3      GLU  88  -7.772 -13.294   1.474
 1017    HG2  GLU  88           HG2      GLU  88  -8.748 -14.706   3.101
 1018    HG3  GLU  88           HG3      GLU  88  -8.801 -15.571   1.566
 1019    H    PHE  89           H        PHE  89  -7.217 -12.880  -1.076
 1020    HA   PHE  89           HA       PHE  89  -9.361 -14.341  -2.354
 1021    HB2  PHE  89           HB2      PHE  89  -9.368 -11.853  -1.757
 1022    HB3  PHE  89           HB3      PHE  89  -8.280 -11.624  -3.119
 1023    HD1  PHE  89           HD1      PHE  89 -11.554 -13.219  -2.338
 1024    HD2  PHE  89           HD2      PHE  89  -9.197 -11.052  -5.137
 1025    HE1  PHE  89           HE1      PHE  89 -13.496 -13.054  -3.836
 1026    HE2  PHE  89           HE2      PHE  89 -11.134 -10.885  -6.642
 1027    HZ   PHE  89           HZ       PHE  89 -13.288 -11.885  -5.993
 1028    H    PHE  90           H        PHE  90  -6.173 -14.547  -2.648
 1029    HA   PHE  90           HA       PHE  90  -5.622 -14.264  -5.396
 1030    HB2  PHE  90           HB2      PHE  90  -4.071 -14.625  -3.271
 1031    HB3  PHE  90           HB3      PHE  90  -4.203 -16.313  -3.741
 1032    HD1  PHE  90           HD2      PHE  90  -4.116 -13.550  -6.185
 1033    HD2  PHE  90           HD1      PHE  90  -1.896 -16.605  -4.218
 1034    HE1  PHE  90           HE2      PHE  90  -2.270 -13.227  -7.773
 1035    HE2  PHE  90           HE1      PHE  90  -0.039 -16.277  -5.801
 1036    HZ   PHE  90           HZ       PHE  90  -0.228 -14.588  -7.582
 1037    H    GLU  91           H        GLU  91  -6.400 -17.146  -3.442
 1038    HA   GLU  91           HA       GLU  91  -6.964 -18.687  -5.827
 1039    HB2  GLU  91           HB2      GLU  91  -7.395 -19.333  -2.902
 1040    HB3  GLU  91           HB3      GLU  91  -7.643 -20.459  -4.231
 1041    HG2  GLU  91           HG2      GLU  91  -5.035 -19.199  -3.407
 1042    HG3  GLU  91           HG3      GLU  91  -5.520 -20.878  -3.172
 1043    H    GLY  92           H        GLY  92  -8.611 -16.624  -3.648
 1044    HA2  GLY  92           HA2      GLY  92 -10.591 -15.564  -4.605
 1045    HA3  GLY  92           HA3      GLY  92 -11.114 -17.163  -5.114
 1046    H    PHE  93           H        PHE  93 -10.307 -18.352  -2.532
 1047    HA   PHE  93           HA       PHE  93 -12.015 -17.133  -0.581
 1048    HB2  PHE  93           HB2      PHE  93 -13.445 -19.240  -0.451
 1049    HB3  PHE  93           HB3      PHE  93 -13.718 -18.180  -1.826
 1050    HD1  PHE  93           HD2      PHE  93 -11.898 -21.274  -0.847
 1051    HD2  PHE  93           HD1      PHE  93 -13.670 -19.002  -3.978
 1052    HE1  PHE  93           HE2      PHE  93 -11.551 -23.148  -2.402
 1053    HE2  PHE  93           HE1      PHE  93 -13.328 -20.872  -5.536
 1054    HZ   PHE  93           HZ       PHE  93 -12.266 -22.949  -4.749
 1055    HA   PRO  94           HA       PRO  94  -9.449 -19.763   1.985
 1056    HB2  PRO  94           HB2      PRO  94 -10.886 -19.237   4.338
 1057    HB3  PRO  94           HB3      PRO  94  -9.532 -18.293   3.716
 1058    HG2  PRO  94           HG2      PRO  94 -12.217 -17.453   3.942
 1059    HG3  PRO  94           HG3      PRO  94 -10.907 -16.607   3.102
 1060    HD2  PRO  94           HD2      PRO  94 -13.059 -18.340   2.000
 1061    HD3  PRO  94           HD3      PRO  94 -12.226 -16.957   1.257
 1062    H    ASP  95           H        ASP  95 -10.378 -21.626   0.849
 1063    HA   ASP  95           HA       ASP  95 -11.403 -23.627   0.695
 1064    HB2  ASP  95           HB2      ASP  95 -10.229 -24.132   2.762
 1065    HB3  ASP  95           HB3      ASP  95 -11.535 -23.419   3.706
 1066    H    LYS  96           H        LYS  96 -13.166 -23.042  -0.439
 1067    HA   LYS  96           HA       LYS  96 -15.682 -23.529   0.791
 1068    HB2  LYS  96           HB2      LYS  96 -15.548 -21.208   1.459
 1069    HB3  LYS  96           HB3      LYS  96 -15.092 -20.720  -0.166
 1070    HG2  LYS  96           HG2      LYS  96 -17.406 -20.162   0.274
 1071    HG3  LYS  96           HG3      LYS  96 -17.296 -21.386  -0.989
 1072    HD2  LYS  96           HD2      LYS  96 -19.015 -22.203   0.321
 1073    HD3  LYS  96           HD3      LYS  96 -17.621 -23.063   0.973
 1074    HE2  LYS  96           HE2      LYS  96 -18.789 -20.539   2.139
 1075    HE3  LYS  96           HE3      LYS  96 -19.141 -22.166   2.712
 1076    HZ1  LYS  96           HZ1      LYS  96 -16.785 -22.442   3.227
 1077    HZ2  LYS  96           HZ2      LYS  96 -17.452 -21.126   4.068
 1078    HZ3  LYS  96           HZ3      LYS  96 -16.477 -20.852   2.711
 1079    H    GLN  97           H        GLN  97 -15.991 -25.080  -0.736
 1080    HA   GLN  97           HA       GLN  97 -15.669 -24.547  -3.534
 1081    HB2  GLN  97           HB2      GLN  97 -15.497 -26.826  -2.403
 1082    HB3  GLN  97           HB3      GLN  97 -17.250 -26.803  -2.294
 1083    HG2  GLN  97           HG2      GLN  97 -17.433 -26.701  -4.700
 1084    HG3  GLN  97           HG3      GLN  97 -15.681 -26.611  -4.853
 1085   HE21  GLN  97          HE21      GLN  97 -15.312 -28.560  -2.652
 1086   HE22  GLN  97          HE22      GLN  97 -15.678 -30.098  -3.351
 1087    HA   PRO  98           HA       PRO  98 -19.254 -21.993  -3.805
 1088    HB2  PRO  98           HB2      PRO  98 -19.130 -22.789  -6.670
 1089    HB3  PRO  98           HB3      PRO  98 -19.195 -21.178  -5.948
 1090    HG2  PRO  98           HG2      PRO  98 -16.916 -22.107  -6.933
 1091    HG3  PRO  98           HG3      PRO  98 -16.932 -21.180  -5.420
 1092    HD2  PRO  98           HD2      PRO  98 -16.671 -24.130  -5.834
 1093    HD3  PRO  98           HD3      PRO  98 -15.849 -23.078  -4.663
 1094    H    ARG  99           H        ARG  99 -19.254 -25.264  -5.068
 1095    HA   ARG  99           HA       ARG  99 -22.087 -25.271  -5.587
 1096    HB2  ARG  99           HB2      ARG  99 -20.140 -27.572  -5.440
 1097    HB3  ARG  99           HB3      ARG  99 -21.799 -27.677  -6.003
 1098    HG2  ARG  99           HG2      ARG  99 -21.207 -26.087  -7.828
 1099    HG3  ARG  99           HG3      ARG  99 -19.524 -26.201  -7.302
 1100    HD2  ARG  99           HD2      ARG  99 -19.853 -27.743  -9.111
 1101    HD3  ARG  99           HD3      ARG  99 -19.654 -28.665  -7.622
 1102    HE   ARG  99           HE       ARG  99 -22.145 -28.301  -9.133
 1103   HH11  ARG  99          HH12      ARG  99 -20.433 -29.819  -6.475
 1104   HH12  ARG  99          HH11      ARG  99 -21.657 -31.017  -6.201
 1105   HH21  ARG  99          HH22      ARG  99 -23.755 -29.877  -8.773
 1106   HH22  ARG  99          HH21      ARG  99 -23.557 -31.036  -7.484
 1107    H    LYS 100           H        LYS 100 -22.821 -24.595  -3.440
 1108    HA   LYS 100           HA       LYS 100 -22.665 -26.673  -1.415
 1109    HB2  LYS 100           HB2      LYS 100 -24.104 -25.128  -0.058
 1110    HB3  LYS 100           HB3      LYS 100 -22.545 -24.467  -0.519
 1111    HG2  LYS 100           HG2      LYS 100 -23.617 -23.179  -2.299
 1112    HG3  LYS 100           HG3      LYS 100 -25.184 -23.848  -1.834
 1113    HD2  LYS 100           HD2      LYS 100 -24.898 -22.859   0.415
 1114    HD3  LYS 100           HD3      LYS 100 -23.385 -22.128  -0.124
 1115    HE2  LYS 100           HE2      LYS 100 -25.192 -20.507  -0.218
 1116    HE3  LYS 100           HE3      LYS 100 -24.610 -20.878  -1.842
 1117    HZ1  LYS 100           HZ1      LYS 100 -26.488 -22.280  -2.218
 1118    HZ2  LYS 100           HZ2      LYS 100 -27.061 -20.792  -1.648
 1119    HZ3  LYS 100           HZ3      LYS 100 -27.006 -22.127  -0.608
 1120    H    LYS 101           H        LYS 101 -23.666 -28.339  -2.536
 1121    HA   LYS 101           HA       LYS 101 -26.563 -28.282  -2.481
 1122    HB2  LYS 101           HB2      LYS 101 -26.139 -27.460  -4.717
 1123    HB3  LYS 101           HB3      LYS 101 -24.985 -28.750  -5.018
 1124    HG2  LYS 101           HG2      LYS 101 -27.078 -29.179  -6.155
 1125    HG3  LYS 101           HG3      LYS 101 -26.783 -30.394  -4.912
 1126    HD2  LYS 101           HD2      LYS 101 -28.302 -29.180  -3.400
 1127    HD3  LYS 101           HD3      LYS 101 -28.629 -28.018  -4.690
 1128    HE2  LYS 101           HE2      LYS 101 -30.393 -29.699  -4.556
 1129    HE3  LYS 101           HE3      LYS 101 -29.522 -29.812  -6.085
 1130    HZ1  LYS 101           HZ1      LYS 101 -28.245 -31.663  -5.161
 1131    HZ2  LYS 101           HZ2      LYS 101 -29.904 -31.998  -5.158
 1132    HZ3  LYS 101           HZ3      LYS 101 -29.125 -31.565  -3.718
 1133    H    MET   1           H1       MET   1  -3.660   2.607 -21.262
 1134    HA   MET   1           HA       MET   1  -2.240   1.052 -20.016
 1135    HB2  MET   1           HB2      MET   1  -2.990   3.390 -19.220
 1136    HB3  MET   1           HB3      MET   1  -4.094   2.542 -18.151
 1137    HG2  MET   1           HG2      MET   1  -2.181   1.399 -17.114
 1138    HG3  MET   1           HG3      MET   1  -1.094   2.316 -18.155
 1139    HE1  MET   1           HE1      MET   1  -0.894   4.981 -18.075
 1140    HE2  MET   1           HE2      MET   1  -2.644   5.145 -18.208
 1141    HE3  MET   1           HE3      MET   1  -1.775   5.992 -16.928
 1142    H    ALA   2           H        ALA   2  -2.661   0.164 -17.459
 1143    HA   ALA   2           HA       ALA   2  -4.658  -1.959 -17.786
 1144    HB1  ALA   2           HB1      ALA   2  -2.357  -2.657 -17.202
 1145    HB2  ALA   2           HB2      ALA   2  -2.446  -1.679 -15.738
 1146    HB3  ALA   2           HB3      ALA   2  -3.514  -3.070 -15.934
 1147    H    CYS   3           H        CYS   3  -5.816  -2.479 -15.600
 1148    HA   CYS   3           HA       CYS   3  -7.189  -0.176 -14.695
 1149    HB2  CYS   3           HB2      CYS   3  -7.041  -2.959 -13.512
 1150    HB3  CYS   3           HB3      CYS   3  -8.171  -1.710 -12.997
 1151    HG   CYS   3           HG       CYS   3  -8.879  -3.961 -15.015
 1152    HA   PRO   4           HA       PRO   4  -3.593   1.269 -12.569
 1153    HB2  PRO   4           HB2      PRO   4  -5.660   3.081 -11.416
 1154    HB3  PRO   4           HB3      PRO   4  -4.087   3.486 -12.117
 1155    HG2  PRO   4           HG2      PRO   4  -6.257   3.914 -13.530
 1156    HG3  PRO   4           HG3      PRO   4  -4.862   3.135 -14.310
 1157    HD2  PRO   4           HD2      PRO   4  -7.387   1.894 -13.273
 1158    HD3  PRO   4           HD3      PRO   4  -6.510   1.566 -14.785
 1159    H    LEU   5           H        LEU   5  -6.490   1.578 -10.516
 1160    HA   LEU   5           HA       LEU   5  -5.005   1.081  -8.148
 1161    HB2  LEU   5           HB2      LEU   5  -7.409   2.224  -8.725
 1162    HB3  LEU   5           HB3      LEU   5  -7.920   0.687  -8.062
 1163    HG   LEU   5           HG       LEU   5  -7.891   2.454  -6.370
 1164   HD11  LEU   5          HD11      LEU   5  -5.814   0.329  -5.956
 1165   HD12  LEU   5          HD12      LEU   5  -6.580   1.285  -4.685
 1166   HD13  LEU   5          HD13      LEU   5  -7.547   0.180  -5.664
 1167   HD21  LEU   5          HD21      LEU   5  -6.077   3.818  -7.249
 1168   HD22  LEU   5          HD22      LEU   5  -5.785   3.368  -5.566
 1169   HD23  LEU   5          HD23      LEU   5  -4.923   2.540  -6.864
 1170    H    GLU   6           H        GLU   6  -6.853  -0.961 -10.327
 1171    HA   GLU   6           HA       GLU   6  -7.177  -3.114  -8.511
 1172    HB2  GLU   6           HB2      GLU   6  -8.553  -2.798 -10.577
 1173    HB3  GLU   6           HB3      GLU   6  -7.153  -3.290 -11.524
 1174    HG2  GLU   6           HG2      GLU   6  -7.192  -5.477 -10.616
 1175    HG3  GLU   6           HG3      GLU   6  -8.360  -5.016  -9.382
 1176    H    LYS   7           H        LYS   7  -4.757  -2.388 -11.003
 1177    HA   LYS   7           HA       LYS   7  -3.320  -4.801 -10.677
 1178    HB2  LYS   7           HB2      LYS   7  -2.423  -2.115 -11.743
 1179    HB3  LYS   7           HB3      LYS   7  -1.437  -3.570 -11.803
 1180    HG2  LYS   7           HG2      LYS   7  -4.104  -3.154 -13.145
 1181    HG3  LYS   7           HG3      LYS   7  -2.526  -3.169 -13.930
 1182    HD2  LYS   7           HD2      LYS   7  -3.678  -5.514 -12.420
 1183    HD3  LYS   7           HD3      LYS   7  -3.836  -5.289 -14.159
 1184    HE2  LYS   7           HE2      LYS   7  -1.444  -5.381 -14.436
 1185    HE3  LYS   7           HE3      LYS   7  -1.210  -5.459 -12.691
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.038  -7.611 -12.591
 1187    HZ2  LYS   7           HZ2      LYS   7  -1.114  -7.625 -14.012
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.803  -7.506 -14.102
 1189    H    ALA   8           H        ALA   8  -3.329  -1.797  -8.934
 1190    HA   ALA   8           HA       ALA   8  -0.913  -1.857  -7.620
 1191    HB1  ALA   8           HB1      ALA   8  -1.979  -0.618  -5.817
 1192    HB2  ALA   8           HB2      ALA   8  -2.530  -0.040  -7.390
 1193    HB3  ALA   8           HB3      ALA   8  -3.568  -1.085  -6.421
 1194    H    LEU   9           H        LEU   9  -3.928  -3.477  -6.532
 1195    HA   LEU   9           HA       LEU   9  -2.519  -4.776  -4.380
 1196    HB2  LEU   9           HB2      LEU   9  -5.276  -5.494  -5.387
 1197    HB3  LEU   9           HB3      LEU   9  -4.572  -5.906  -3.850
 1198    HG   LEU   9           HG       LEU   9  -6.041  -4.213  -3.301
 1199   HD11  LEU   9          HD11      LEU   9  -3.420  -2.833  -3.793
 1200   HD12  LEU   9          HD12      LEU   9  -4.706  -2.259  -2.730
 1201   HD13  LEU   9          HD13      LEU   9  -3.869  -3.769  -2.366
 1202   HD21  LEU   9          HD21      LEU   9  -6.620  -3.529  -5.581
 1203   HD22  LEU   9          HD22      LEU   9  -6.355  -2.147  -4.516
 1204   HD23  LEU   9          HD23      LEU   9  -5.115  -2.614  -5.677
 1205    H    ASP  10           H        ASP  10  -3.546  -5.590  -7.611
 1206    HA   ASP  10           HA       ASP  10  -3.197  -8.364  -7.563
 1207    HB2  ASP  10           HB2      ASP  10  -4.277  -7.373  -9.448
 1208    HB3  ASP  10           HB3      ASP  10  -2.893  -6.341  -9.783
 1209    H    VAL  11           H        VAL  11  -0.882  -5.794  -8.343
 1210    HA   VAL  11           HA       VAL  11   1.225  -7.636  -8.931
 1211    HB   VAL  11           HB       VAL  11   2.638  -5.724  -9.221
 1212   HG11  VAL  11          HG11      VAL  11   1.348  -4.474 -10.864
 1213   HG12  VAL  11          HG12      VAL  11   0.999  -6.199 -10.969
 1214   HG13  VAL  11          HG13      VAL  11  -0.151  -5.112 -10.190
 1215   HG21  VAL  11          HG21      VAL  11   1.905  -3.449  -8.670
 1216   HG22  VAL  11          HG22      VAL  11   0.443  -4.100  -7.927
 1217   HG23  VAL  11          HG23      VAL  11   2.025  -4.459  -7.228
 1218    H    MET  12           H        MET  12   0.087  -6.072  -6.071
 1219    HA   MET  12           HA       MET  12   2.369  -6.088  -4.466
 1220    HB2  MET  12           HB2      MET  12  -0.558  -6.336  -3.899
 1221    HB3  MET  12           HB3      MET  12   0.615  -6.498  -2.597
 1222    HG2  MET  12           HG2      MET  12   1.433  -4.309  -2.937
 1223    HG3  MET  12           HG3      MET  12   0.559  -4.152  -4.459
 1224    HE1  MET  12           HE1      MET  12   0.065  -1.718  -3.084
 1225    HE2  MET  12           HE2      MET  12  -0.962  -1.681  -1.639
 1226    HE3  MET  12           HE3      MET  12   0.667  -2.367  -1.549
 1227    H    VAL  13           H        VAL  13   0.022  -8.679  -5.093
 1228    HA   VAL  13           HA       VAL  13   1.670 -10.528  -3.565
 1229    HB   VAL  13           HB       VAL  13  -0.098 -12.214  -4.142
 1230   HG11  VAL  13          HG11      VAL  13  -0.101 -11.014  -2.024
 1231   HG12  VAL  13          HG12      VAL  13  -0.999  -9.686  -2.764
 1232   HG13  VAL  13          HG13      VAL  13  -1.751 -11.274  -2.595
 1233   HG21  VAL  13          HG21      VAL  13  -1.512  -9.796  -5.262
 1234   HG22  VAL  13          HG22      VAL  13  -0.954 -11.195  -6.182
 1235   HG23  VAL  13          HG23      VAL  13  -2.242 -11.380  -4.991
 1236    H    SER  14           H        SER  14   1.132  -9.629  -6.867
 1237    HA   SER  14           HA       SER  14   2.095 -12.076  -8.005
 1238    HB2  SER  14           HB2      SER  14   1.680  -9.342  -9.225
 1239    HB3  SER  14           HB3      SER  14   2.115 -10.789 -10.139
 1240    HG   SER  14           HG       SER  14  -0.286 -10.158  -8.812
 1241    H    THR  15           H        THR  15   3.503  -8.785  -7.876
 1242    HA   THR  15           HA       THR  15   6.066  -9.537  -8.774
 1243    HB   THR  15           HB       THR  15   5.316  -7.217  -6.973
 1244    HG1  THR  15           HG1      THR  15   5.615  -6.403  -9.464
 1245   HG21  THR  15          HG21      THR  15   7.641  -7.505  -8.885
 1246   HG22  THR  15          HG22      THR  15   7.755  -7.657  -7.132
 1247   HG23  THR  15          HG23      THR  15   7.288  -6.117  -7.855
 1248    H    PHE  16           H        PHE  16   4.514  -9.557  -5.679
 1249    HA   PHE  16           HA       PHE  16   6.522  -9.880  -3.849
 1250    HB2  PHE  16           HB2      PHE  16   4.095  -9.775  -3.375
 1251    HB3  PHE  16           HB3      PHE  16   3.913 -11.405  -4.001
 1252    HD1  PHE  16           HD2      PHE  16   5.910  -9.571  -1.441
 1253    HD2  PHE  16           HD1      PHE  16   3.788 -13.104  -2.489
 1254    HE1  PHE  16           HE2      PHE  16   6.265 -10.452   0.827
 1255    HE2  PHE  16           HE1      PHE  16   4.134 -13.989  -0.221
 1256    HZ   PHE  16           HZ       PHE  16   5.376 -12.663   1.439
 1257    H    HIS  17           H        HIS  17   4.787 -12.665  -5.249
 1258    HA   HIS  17           HA       HIS  17   6.748 -14.515  -4.396
 1259    HB2  HIS  17           HB2      HIS  17   5.482 -16.209  -5.567
 1260    HB3  HIS  17           HB3      HIS  17   4.371 -15.119  -4.755
 1261    HD1  HIS  17           HD1      HIS  17   5.620 -16.013  -8.215
 1262    HD2  HIS  17           HD2      HIS  17   2.549 -13.872  -6.398
 1263    HE1  HIS  17           HE1      HIS  17   4.006 -15.443 -10.054
 1264    HE2  HIS  17           HE2      HIS  17   2.110 -14.220  -8.927
 1265    H    LYS  18           H        LYS  18   6.828 -12.387  -6.964
 1266    HA   LYS  18           HA       LYS  18   8.015 -14.093  -8.939
 1267    HB2  LYS  18           HB2      LYS  18   6.621 -12.158  -9.528
 1268    HB3  LYS  18           HB3      LYS  18   7.808 -11.082  -8.809
 1269    HG2  LYS  18           HG2      LYS  18   9.458 -11.846 -10.489
 1270    HG3  LYS  18           HG3      LYS  18   8.190 -12.815 -11.241
 1271    HD2  LYS  18           HD2      LYS  18   6.903 -10.831 -11.713
 1272    HD3  LYS  18           HD3      LYS  18   8.067  -9.831 -10.838
 1273    HE2  LYS  18           HE2      LYS  18   8.553  -9.571 -13.133
 1274    HE3  LYS  18           HE3      LYS  18   9.802 -10.621 -12.481
 1275    HZ1  LYS  18           HZ1      LYS  18   7.468 -11.398 -14.135
 1276    HZ2  LYS  18           HZ2      LYS  18   8.430 -12.526 -13.314
 1277    HZ3  LYS  18           HZ3      LYS  18   9.113 -11.550 -14.521
 1278    H    TYR  19           H        TYR  19   9.266 -12.053  -6.373
 1279    HA   TYR  19           HA       TYR  19  11.961 -12.293  -7.562
 1280    HB2  TYR  19           HB2      TYR  19  10.817 -10.184  -5.732
 1281    HB3  TYR  19           HB3      TYR  19  12.536 -10.321  -6.083
 1282    HD1  TYR  19           HD1      TYR  19   9.230  -9.872  -7.723
 1283    HD2  TYR  19           HD2      TYR  19  13.432  -9.272  -7.985
 1284    HE1  TYR  19           HE1      TYR  19   8.904  -8.520  -9.743
 1285    HE2  TYR  19           HE2      TYR  19  13.113  -7.910 -10.013
 1286    HH   TYR  19           HH       TYR  19   9.948  -6.889 -11.046
 1287    H    SER  20           H        SER  20  10.281 -12.367  -4.422
 1288    HA   SER  20           HA       SER  20  12.572 -12.911  -2.891
 1289    HB2  SER  20           HB2      SER  20  10.692 -13.839  -1.292
 1290    HB3  SER  20           HB3      SER  20  10.809 -12.112  -1.647
 1291    HG   SER  20           HG       SER  20   8.670 -13.221  -1.902
 1292    H    GLY  21           H        GLY  21  10.504 -15.001  -4.739
 1293    HA2  GLY  21           HA2      GLY  21  11.309 -17.429  -3.425
 1294    HA3  GLY  21           HA3      GLY  21  10.388 -17.305  -4.917
 1295    H    LYS  22           H        LYS  22  13.304 -15.525  -4.827
 1296    HA   LYS  22           HA       LYS  22  14.513 -17.477  -6.643
 1297    HB2  LYS  22           HB2      LYS  22  14.714 -14.504  -6.361
 1298    HB3  LYS  22           HB3      LYS  22  16.044 -15.393  -7.106
 1299    HG2  LYS  22           HG2      LYS  22  14.629 -16.214  -8.828
 1300    HG3  LYS  22           HG3      LYS  22  13.185 -15.625  -8.004
 1301    HD2  LYS  22           HD2      LYS  22  13.830 -13.345  -8.385
 1302    HD3  LYS  22           HD3      LYS  22  15.394 -13.850  -9.031
 1303    HE2  LYS  22           HE2      LYS  22  13.753 -13.210 -10.778
 1304    HE3  LYS  22           HE3      LYS  22  14.348 -14.860 -10.936
 1305    HZ1  LYS  22           HZ1      LYS  22  11.764 -14.123  -9.670
 1306    HZ2  LYS  22           HZ2      LYS  22  12.320 -15.692  -9.991
 1307    HZ3  LYS  22           HZ3      LYS  22  11.931 -14.648 -11.271
 1308    H    GLU  23           H        GLU  23  15.311 -15.432  -3.825
 1309    HA   GLU  23           HA       GLU  23  17.723 -17.006  -3.388
 1310    HB2  GLU  23           HB2      GLU  23  17.749 -14.581  -2.981
 1311    HB3  GLU  23           HB3      GLU  23  16.494 -14.770  -1.769
 1312    HG2  GLU  23           HG2      GLU  23  18.588 -14.502  -0.687
 1313    HG3  GLU  23           HG3      GLU  23  18.038 -16.158  -0.440
 1314    H    GLY  24           H        GLY  24  14.701 -16.269  -1.653
 1315    HA2  GLY  24           HA2      GLY  24  15.066 -18.796  -0.162
 1316    HA3  GLY  24           HA3      GLY  24  14.390 -17.345   0.570
 1317    H    ASP  25           H        ASP  25  12.298 -17.674   0.936
 1318    HA   ASP  25           HA       ASP  25  10.713 -19.097  -1.084
 1319    HB2  ASP  25           HB2      ASP  25  10.444 -19.821   1.272
 1320    HB3  ASP  25           HB3      ASP  25   9.902 -18.199   1.695
 1321    H    LYS  26           H        LYS  26   8.833 -18.198  -1.942
 1322    HA   LYS  26           HA       LYS  26   9.064 -15.555  -2.784
 1323    HB2  LYS  26           HB2      LYS  26   6.716 -15.873  -3.646
 1324    HB3  LYS  26           HB3      LYS  26   7.893 -17.062  -4.171
 1325    HG2  LYS  26           HG2      LYS  26   5.881 -18.216  -3.693
 1326    HG3  LYS  26           HG3      LYS  26   7.005 -18.599  -2.395
 1327    HD2  LYS  26           HD2      LYS  26   5.912 -16.841  -1.016
 1328    HD3  LYS  26           HD3      LYS  26   4.728 -16.629  -2.305
 1329    HE2  LYS  26           HE2      LYS  26   3.870 -18.072  -0.537
 1330    HE3  LYS  26           HE3      LYS  26   4.028 -18.947  -2.059
 1331    HZ1  LYS  26           HZ1      LYS  26   6.154 -19.034   0.006
 1332    HZ2  LYS  26           HZ2      LYS  26   5.881 -20.106  -1.287
 1333    HZ3  LYS  26           HZ3      LYS  26   4.829 -20.092   0.040
 1334    H    PHE  27           H        PHE  27   7.828 -16.688   0.179
 1335    HA   PHE  27           HA       PHE  27   6.093 -14.367   0.571
 1336    HB2  PHE  27           HB2      PHE  27   5.740 -16.897   1.301
 1337    HB3  PHE  27           HB3      PHE  27   6.695 -16.399   2.692
 1338    HD1  PHE  27           HD2      PHE  27   5.848 -14.673   4.213
 1339    HD2  PHE  27           HD1      PHE  27   3.521 -16.209   1.015
 1340    HE1  PHE  27           HE2      PHE  27   3.822 -13.765   5.268
 1341    HE2  PHE  27           HE1      PHE  27   1.478 -15.307   2.058
 1342    HZ   PHE  27           HZ       PHE  27   1.630 -14.082   4.190
 1343    H    LYS  28           H        LYS  28   9.342 -15.007   0.913
 1344    HA   LYS  28           HA       LYS  28   9.517 -13.029   3.080
 1345    HB2  LYS  28           HB2      LYS  28  10.042 -15.238   3.978
 1346    HB3  LYS  28           HB3      LYS  28  11.241 -15.476   2.719
 1347    HG2  LYS  28           HG2      LYS  28  12.305 -14.913   4.813
 1348    HG3  LYS  28           HG3      LYS  28  12.569 -13.641   3.620
 1349    HD2  LYS  28           HD2      LYS  28  12.048 -12.689   5.798
 1350    HD3  LYS  28           HD3      LYS  28  10.776 -12.318   4.638
 1351    HE2  LYS  28           HE2      LYS  28   9.873 -12.958   6.824
 1352    HE3  LYS  28           HE3      LYS  28   9.386 -14.077   5.553
 1353    HZ1  LYS  28           HZ1      LYS  28  10.953 -15.670   6.309
 1354    HZ2  LYS  28           HZ2      LYS  28  10.102 -15.134   7.673
 1355    HZ3  LYS  28           HZ3      LYS  28  11.677 -14.571   7.379
 1356    H    LEU  29           H        LEU  29  10.442 -11.254   2.375
 1357    HA   LEU  29           HA       LEU  29  12.490 -11.492   0.280
 1358    HB2  LEU  29           HB2      LEU  29  10.725  -9.179   1.041
 1359    HB3  LEU  29           HB3      LEU  29  12.095  -9.018  -0.042
 1360    HG   LEU  29           HG       LEU  29  10.818 -10.969  -1.325
 1361   HD11  LEU  29          HD11      LEU  29   8.382 -10.495  -1.248
 1362   HD12  LEU  29          HD12      LEU  29   9.024 -11.238   0.218
 1363   HD13  LEU  29          HD13      LEU  29   8.678  -9.515   0.185
 1364   HD21  LEU  29          HD21      LEU  29   9.821  -9.255  -2.748
 1365   HD22  LEU  29          HD22      LEU  29  10.079  -8.051  -1.485
 1366   HD23  LEU  29          HD23      LEU  29  11.461  -8.817  -2.269
 1367    H    ASN  30           H        ASN  30  14.455 -11.507   1.127
 1368    HA   ASN  30           HA       ASN  30  15.084  -9.839   3.418
 1369    HB2  ASN  30           HB2      ASN  30  17.222 -10.850   3.435
 1370    HB3  ASN  30           HB3      ASN  30  16.132 -12.147   2.966
 1371   HD21  ASN  30          HD21      ASN  30  16.187 -12.922   0.857
 1372   HD22  ASN  30          HD22      ASN  30  17.478 -12.542  -0.221
 1373    H    LYS  31           H        LYS  31  17.532  -8.763   2.804
 1374    HA   LYS  31           HA       LYS  31  16.884  -6.382   1.602
 1375    HB2  LYS  31           HB2      LYS  31  19.598  -7.705   1.704
 1376    HB3  LYS  31           HB3      LYS  31  19.325  -6.017   1.302
 1377    HG2  LYS  31           HG2      LYS  31  18.297  -5.713   3.541
 1378    HG3  LYS  31           HG3      LYS  31  18.767  -7.371   3.925
 1379    HD2  LYS  31           HD2      LYS  31  20.650  -5.148   3.138
 1380    HD3  LYS  31           HD3      LYS  31  20.387  -5.745   4.774
 1381    HE2  LYS  31           HE2      LYS  31  21.422  -7.399   2.480
 1382    HE3  LYS  31           HE3      LYS  31  22.426  -6.667   3.731
 1383    HZ1  LYS  31           HZ1      LYS  31  21.924  -9.017   4.161
 1384    HZ2  LYS  31           HZ2      LYS  31  20.273  -8.650   4.238
 1385    HZ3  LYS  31           HZ3      LYS  31  21.338  -8.002   5.385
 1386    H    SER  32           H        SER  32  18.527  -9.144   0.058
 1387    HA   SER  32           HA       SER  32  18.995  -7.848  -2.397
 1388    HB2  SER  32           HB2      SER  32  19.395 -10.150  -3.280
 1389    HB3  SER  32           HB3      SER  32  20.276  -9.795  -1.794
 1390    HG   SER  32           HG       SER  32  18.025 -11.460  -2.193
 1391    H    GLU  33           H        GLU  33  16.254  -9.754  -1.275
 1392    HA   GLU  33           HA       GLU  33  15.113 -10.126  -3.859
 1393    HB2  GLU  33           HB2      GLU  33  13.640 -10.210  -1.224
 1394    HB3  GLU  33           HB3      GLU  33  13.195 -11.010  -2.725
 1395    HG2  GLU  33           HG2      GLU  33  15.456 -11.678  -0.870
 1396    HG3  GLU  33           HG3      GLU  33  14.061 -12.669  -1.292
 1397    H    LEU  34           H        LEU  34  14.503  -7.916  -1.172
 1398    HA   LEU  34           HA       LEU  34  12.467  -6.435  -2.436
 1399    HB2  LEU  34           HB2      LEU  34  14.328  -5.940  -0.155
 1400    HB3  LEU  34           HB3      LEU  34  13.386  -4.611  -0.799
 1401    HG   LEU  34           HG       LEU  34  12.129  -7.173   0.133
 1402   HD11  LEU  34          HD11      LEU  34  11.575  -5.972   2.195
 1403   HD12  LEU  34          HD12      LEU  34  13.317  -6.162   2.004
 1404   HD13  LEU  34          HD13      LEU  34  12.557  -4.607   1.661
 1405   HD21  LEU  34          HD21      LEU  34  10.112  -5.803   0.180
 1406   HD22  LEU  34          HD22      LEU  34  11.040  -4.402  -0.366
 1407   HD23  LEU  34          HD23      LEU  34  10.838  -5.795  -1.428
 1408    H    LYS  35           H        LYS  35  15.981  -6.035  -2.303
 1409    HA   LYS  35           HA       LYS  35  16.157  -3.561  -3.534
 1410    HB2  LYS  35           HB2      LYS  35  18.090  -4.706  -2.511
 1411    HB3  LYS  35           HB3      LYS  35  18.104  -5.850  -3.849
 1412    HG2  LYS  35           HG2      LYS  35  18.780  -4.242  -5.392
 1413    HG3  LYS  35           HG3      LYS  35  18.311  -2.903  -4.331
 1414    HD2  LYS  35           HD2      LYS  35  20.670  -2.977  -4.244
 1415    HD3  LYS  35           HD3      LYS  35  20.115  -3.706  -2.737
 1416    HE2  LYS  35           HE2      LYS  35  20.437  -5.933  -3.715
 1417    HE3  LYS  35           HE3      LYS  35  21.017  -5.182  -5.197
 1418    HZ1  LYS  35           HZ1      LYS  35  22.842  -5.910  -3.774
 1419    HZ2  LYS  35           HZ2      LYS  35  22.293  -4.896  -2.528
 1420    HZ3  LYS  35           HZ3      LYS  35  22.857  -4.227  -3.984
 1421    H    GLU  36           H        GLU  36  16.344  -6.766  -5.097
 1422    HA   GLU  36           HA       GLU  36  16.579  -5.765  -7.705
 1423    HB2  GLU  36           HB2      GLU  36  16.869  -8.185  -6.817
 1424    HB3  GLU  36           HB3      GLU  36  15.137  -8.311  -7.106
 1425    HG2  GLU  36           HG2      GLU  36  15.497  -7.662  -9.431
 1426    HG3  GLU  36           HG3      GLU  36  17.228  -7.611  -9.146
 1427    H    LEU  37           H        LEU  37  13.764  -6.648  -5.784
 1428    HA   LEU  37           HA       LEU  37  11.754  -6.303  -7.677
 1429    HB2  LEU  37           HB2      LEU  37  11.668  -7.181  -5.258
 1430    HB3  LEU  37           HB3      LEU  37  11.510  -5.496  -4.793
 1431    HG   LEU  37           HG       LEU  37   9.580  -6.434  -6.821
 1432   HD11  LEU  37          HD11      LEU  37   8.174  -7.528  -5.137
 1433   HD12  LEU  37          HD12      LEU  37   9.690  -8.394  -5.380
 1434   HD13  LEU  37          HD13      LEU  37   9.475  -7.376  -3.956
 1435   HD21  LEU  37          HD21      LEU  37   9.512  -4.179  -5.875
 1436   HD22  LEU  37          HD22      LEU  37   8.063  -5.093  -5.455
 1437   HD23  LEU  37          HD23      LEU  37   9.338  -4.860  -4.257
 1438    H    LEU  38           H        LEU  38  13.138  -3.950  -5.400
 1439    HA   LEU  38           HA       LEU  38  11.657  -1.746  -6.383
 1440    HB2  LEU  38           HB2      LEU  38  14.027  -2.069  -4.596
 1441    HB3  LEU  38           HB3      LEU  38  13.631  -0.469  -5.201
 1442    HG   LEU  38           HG       LEU  38  11.243  -1.623  -4.148
 1443   HD11  LEU  38          HD11      LEU  38  13.594  -1.781  -2.275
 1444   HD12  LEU  38          HD12      LEU  38  11.899  -1.939  -1.816
 1445   HD13  LEU  38          HD13      LEU  38  12.641  -3.138  -2.875
 1446   HD21  LEU  38          HD21      LEU  38  11.753   0.769  -4.303
 1447   HD22  LEU  38          HD22      LEU  38  11.360   0.308  -2.647
 1448   HD23  LEU  38          HD23      LEU  38  13.039   0.577  -3.112
 1449    H    THR  39           H        THR  39  14.904  -2.984  -7.167
 1450    HA   THR  39           HA       THR  39  15.745  -0.778  -8.682
 1451    HB   THR  39           HB       THR  39  17.353  -2.286  -9.781
 1452    HG1  THR  39           HG1      THR  39  15.592  -4.211  -8.827
 1453   HG21  THR  39          HG21      THR  39  18.556  -2.981  -7.794
 1454   HG22  THR  39          HG22      THR  39  17.088  -2.829  -6.831
 1455   HG23  THR  39          HG23      THR  39  17.831  -1.392  -7.542
 1456    H    ARG  40           H        ARG  40  13.695  -3.478  -9.520
 1457    HA   ARG  40           HA       ARG  40  13.805  -2.814 -12.348
 1458    HB2  ARG  40           HB2      ARG  40  12.278  -4.982 -10.908
 1459    HB3  ARG  40           HB3      ARG  40  12.390  -4.802 -12.654
 1460    HG2  ARG  40           HG2      ARG  40  14.577  -5.523 -10.725
 1461    HG3  ARG  40           HG3      ARG  40  13.900  -6.512 -12.018
 1462    HD2  ARG  40           HD2      ARG  40  15.548  -4.006 -12.328
 1463    HD3  ARG  40           HD3      ARG  40  16.056  -5.655 -12.685
 1464    HE   ARG  40           HE       ARG  40  14.024  -5.480 -14.341
 1465   HH11  ARG  40          HH12      ARG  40  16.456  -3.060 -13.611
 1466   HH12  ARG  40          HH11      ARG  40  16.364  -2.305 -15.174
 1467   HH21  ARG  40          HH22      ARG  40  13.912  -4.506 -16.413
 1468   HH22  ARG  40          HH21      ARG  40  14.935  -3.141 -16.776
 1469    H    GLU  41           H        GLU  41  11.288  -3.132  -9.830
 1470    HA   GLU  41           HA       GLU  41   9.454  -1.809 -11.682
 1471    HB2  GLU  41           HB2      GLU  41   9.105  -3.792  -9.507
 1472    HB3  GLU  41           HB3      GLU  41   7.769  -2.700  -9.860
 1473    HG2  GLU  41           HG2      GLU  41   7.569  -3.477 -12.070
 1474    HG3  GLU  41           HG3      GLU  41   9.138  -4.291 -12.001
 1475    H    LEU  42           H        LEU  42  11.224  -1.015  -8.898
 1476    HA   LEU  42           HA       LEU  42   9.448   1.324  -8.586
 1477    HB2  LEU  42           HB2      LEU  42  10.955  -0.044  -6.356
 1478    HB3  LEU  42           HB3      LEU  42  10.019   1.427  -6.200
 1479    HG   LEU  42           HG       LEU  42   8.027  -0.036  -6.993
 1480   HD11  LEU  42          HD11      LEU  42   9.259  -1.980  -7.663
 1481   HD12  LEU  42          HD12      LEU  42   9.970  -2.128  -6.052
 1482   HD13  LEU  42          HD13      LEU  42   8.238  -2.379  -6.278
 1483   HD21  LEU  42          HD21      LEU  42   7.583  -0.695  -4.679
 1484   HD22  LEU  42          HD22      LEU  42   9.271  -0.380  -4.271
 1485   HD23  LEU  42          HD23      LEU  42   8.225   0.946  -4.779
 1486    HA   PRO  43           HA       PRO  43  14.137   2.104  -8.989
 1487    HB2  PRO  43           HB2      PRO  43  14.428   2.924 -11.526
 1488    HB3  PRO  43           HB3      PRO  43  14.470   1.217 -11.085
 1489    HG2  PRO  43           HG2      PRO  43  12.259   2.799 -12.317
 1490    HG3  PRO  43           HG3      PRO  43  12.757   1.128 -12.635
 1491    HD2  PRO  43           HD2      PRO  43  10.623   1.851 -11.046
 1492    HD3  PRO  43           HD3      PRO  43  11.486   0.305 -10.918
 1493    H    SER  44           H        SER  44  11.352   3.860 -10.056
 1494    HA   SER  44           HA       SER  44  12.505   6.458 -10.062
 1495    HB2  SER  44           HB2      SER  44   9.618   5.722  -9.543
 1496    HB3  SER  44           HB3      SER  44  10.233   7.257 -10.156
 1497    HG   SER  44           HG       SER  44   9.813   4.834 -11.465
 1498    H    PHE  45           H        PHE  45  10.942   4.419  -7.670
 1499    HA   PHE  45           HA       PHE  45  10.851   6.503  -5.667
 1500    HB2  PHE  45           HB2      PHE  45  10.290   3.577  -5.197
 1501    HB3  PHE  45           HB3      PHE  45   9.667   4.968  -4.319
 1502    HD1  PHE  45           HD1      PHE  45   8.473   6.703  -6.187
 1503    HD2  PHE  45           HD2      PHE  45   8.685   2.455  -6.294
 1504    HE1  PHE  45           HE1      PHE  45   6.434   6.634  -7.554
 1505    HE2  PHE  45           HE2      PHE  45   6.655   2.381  -7.671
 1506    HZ   PHE  45           HZ       PHE  45   5.528   4.464  -8.306
 1507    H    LEU  46           H        LEU  46  13.464   5.467  -6.744
 1508    HA   LEU  46           HA       LEU  46  14.571   4.557  -4.193
 1509    HB2  LEU  46           HB2      LEU  46  15.977   4.810  -6.861
 1510    HB3  LEU  46           HB3      LEU  46  16.620   4.073  -5.407
 1511    HG   LEU  46           HG       LEU  46  14.365   3.041  -7.124
 1512   HD11  LEU  46          HD11      LEU  46  17.094   1.951  -6.452
 1513   HD12  LEU  46          HD12      LEU  46  15.849   1.078  -7.352
 1514   HD13  LEU  46          HD13      LEU  46  16.550   2.556  -8.017
 1515   HD21  LEU  46          HD21      LEU  46  14.233   1.157  -5.550
 1516   HD22  LEU  46          HD22      LEU  46  15.367   1.985  -4.487
 1517   HD23  LEU  46          HD23      LEU  46  13.777   2.684  -4.794
 1518    H    GLY  47           H        GLY  47  14.286   7.265  -6.268
 1519    HA2  GLY  47           HA2      GLY  47  14.887   9.465  -6.070
 1520    HA3  GLY  47           HA3      GLY  47  15.275   9.127  -4.393
 1521    H    LYS  48           H        LYS  48  17.284   7.177  -4.954
 1522    HA   LYS  48           HA       LYS  48  19.318   8.672  -6.463
 1523    HB2  LYS  48           HB2      LYS  48  19.778   9.095  -4.129
 1524    HB3  LYS  48           HB3      LYS  48  19.595   7.394  -3.733
 1525    HG2  LYS  48           HG2      LYS  48  21.596   6.912  -5.116
 1526    HG3  LYS  48           HG3      LYS  48  21.806   8.649  -5.343
 1527    HD2  LYS  48           HD2      LYS  48  22.121   8.981  -2.990
 1528    HD3  LYS  48           HD3      LYS  48  21.694   7.303  -2.648
 1529    HE2  LYS  48           HE2      LYS  48  24.102   7.621  -2.536
 1530    HE3  LYS  48           HE3      LYS  48  23.673   6.554  -3.872
 1531    HZ1  LYS  48           HZ1      LYS  48  24.316   9.445  -4.110
 1532    HZ2  LYS  48           HZ2      LYS  48  23.927   8.412  -5.397
 1533    HZ3  LYS  48           HZ3      LYS  48  25.355   8.164  -4.515
 1534    H    ARG  49           H        ARG  49  19.331   5.670  -4.602
 1535    HA   ARG  49           HA       ARG  49  18.937   3.792  -6.575
 1536    HB2  ARG  49           HB2      ARG  49  20.951   4.744  -7.678
 1537    HB3  ARG  49           HB3      ARG  49  21.888   4.410  -6.229
 1538    HG2  ARG  49           HG2      ARG  49  22.303   2.719  -7.904
 1539    HG3  ARG  49           HG3      ARG  49  21.465   2.011  -6.521
 1540    HD2  ARG  49           HD2      ARG  49  20.415   1.117  -8.437
 1541    HD3  ARG  49           HD3      ARG  49  19.316   2.351  -7.817
 1542    HE   ARG  49           HE       ARG  49  20.942   3.590  -9.701
 1543   HH11  ARG  49          HH12      ARG  49  18.567   1.013  -9.625
 1544   HH12  ARG  49          HH11      ARG  49  18.067   1.240 -11.268
 1545   HH21  ARG  49          HH22      ARG  49  20.288   3.893 -11.867
 1546   HH22  ARG  49          HH21      ARG  49  19.028   2.905 -12.541
 1547    H    THR  50           H        THR  50  19.184   1.690  -5.734
 1548    HA   THR  50           HA       THR  50  19.282   1.463  -2.921
 1549    HB   THR  50           HB       THR  50  19.378  -1.025  -3.440
 1550    HG1  THR  50           HG1      THR  50  20.343  -0.853  -5.508
 1551   HG21  THR  50          HG21      THR  50  17.183   0.607  -4.724
 1552   HG22  THR  50          HG22      THR  50  17.268   0.153  -3.022
 1553   HG23  THR  50          HG23      THR  50  17.067  -1.090  -4.258
 1554    H    ASP  51           H        ASP  51  21.177   2.104  -2.028
 1555    HA   ASP  51           HA       ASP  51  23.702   1.044  -3.007
 1556    HB2  ASP  51           HB2      ASP  51  23.404   3.448  -2.232
 1557    HB3  ASP  51           HB3      ASP  51  23.237   2.805  -0.605
 1558    H    GLU  52           H        GLU  52  25.234   0.295  -1.158
 1559    HA   GLU  52           HA       GLU  52  23.872  -2.007  -0.018
 1560    HB2  GLU  52           HB2      GLU  52  26.788  -1.310  -0.332
 1561    HB3  GLU  52           HB3      GLU  52  26.226  -2.764   0.488
 1562    HG2  GLU  52           HG2      GLU  52  25.195  -3.566  -1.521
 1563    HG3  GLU  52           HG3      GLU  52  25.561  -2.059  -2.359
 1564    H    ALA  53           H        ALA  53  26.136   0.501   1.120
 1565    HA   ALA  53           HA       ALA  53  25.878  -0.094   3.864
 1566    HB1  ALA  53           HB1      ALA  53  26.559   2.542   2.558
 1567    HB2  ALA  53           HB2      ALA  53  26.847   2.118   4.247
 1568    HB3  ALA  53           HB3      ALA  53  27.704   1.264   2.963
 1569    H    ALA  54           H        ALA  54  23.799   1.466   1.655
 1570    HA   ALA  54           HA       ALA  54  22.189   2.739   3.713
 1571    HB1  ALA  54           HB1      ALA  54  22.459   3.882   1.584
 1572    HB2  ALA  54           HB2      ALA  54  21.764   2.489   0.752
 1573    HB3  ALA  54           HB3      ALA  54  20.765   3.445   1.847
 1574    H    PHE  55           H        PHE  55  22.095  -0.076   1.581
 1575    HA   PHE  55           HA       PHE  55  19.380  -0.702   2.118
 1576    HB2  PHE  55           HB2      PHE  55  21.116  -1.593   0.257
 1577    HB3  PHE  55           HB3      PHE  55  21.158  -2.948   1.390
 1578    HD1  PHE  55           HD1      PHE  55  18.788  -3.729   2.237
 1579    HD2  PHE  55           HD2      PHE  55  19.503  -1.594  -1.371
 1580    HE1  PHE  55           HE1      PHE  55  16.638  -4.523   1.349
 1581    HE2  PHE  55           HE2      PHE  55  17.357  -2.384  -2.264
 1582    HZ   PHE  55           HZ       PHE  55  15.920  -3.850  -0.905
 1583    H    GLN  56           H        GLN  56  22.390  -1.521   3.708
 1584    HA   GLN  56           HA       GLN  56  21.315  -3.494   5.431
 1585    HB2  GLN  56           HB2      GLN  56  23.287  -3.108   6.828
 1586    HB3  GLN  56           HB3      GLN  56  23.728  -3.225   5.132
 1587    HG2  GLN  56           HG2      GLN  56  23.789  -0.740   5.051
 1588    HG3  GLN  56           HG3      GLN  56  23.543  -0.732   6.798
 1589   HE21  GLN  56          HE21      GLN  56  25.439  -3.151   5.122
 1590   HE22  GLN  56          HE22      GLN  56  26.972  -2.656   5.756
 1591    H    LYS  57           H        LYS  57  21.002  -0.103   5.276
 1592    HA   LYS  57           HA       LYS  57  19.756   0.110   7.896
 1593    HB2  LYS  57           HB2      LYS  57  19.982   2.076   5.604
 1594    HB3  LYS  57           HB3      LYS  57  19.237   2.437   7.152
 1595    HG2  LYS  57           HG2      LYS  57  21.324   2.273   8.281
 1596    HG3  LYS  57           HG3      LYS  57  22.112   1.616   6.844
 1597    HD2  LYS  57           HD2      LYS  57  21.933   3.677   5.688
 1598    HD3  LYS  57           HD3      LYS  57  20.817   4.346   6.888
 1599    HE2  LYS  57           HE2      LYS  57  23.727   3.654   7.348
 1600    HE3  LYS  57           HE3      LYS  57  23.080   5.276   7.103
 1601    HZ1  LYS  57           HZ1      LYS  57  21.680   4.885   9.108
 1602    HZ2  LYS  57           HZ2      LYS  57  23.345   4.948   9.420
 1603    HZ3  LYS  57           HZ3      LYS  57  22.552   3.454   9.384
 1604    H    LEU  58           H        LEU  58  18.907   0.263   4.467
 1605    HA   LEU  58           HA       LEU  58  16.249   0.886   4.551
 1606    HB2  LEU  58           HB2      LEU  58  17.487   0.702   2.470
 1607    HB3  LEU  58           HB3      LEU  58  17.613  -1.037   2.670
 1608    HG   LEU  58           HG       LEU  58  15.174  -1.245   2.448
 1609   HD11  LEU  58          HD11      LEU  58  13.794   0.595   1.915
 1610   HD12  LEU  58          HD12      LEU  58  14.711   1.042   3.349
 1611   HD13  LEU  58          HD13      LEU  58  15.177   1.682   1.767
 1612   HD21  LEU  58          HD21      LEU  58  16.613  -1.369   0.448
 1613   HD22  LEU  58          HD22      LEU  58  14.991  -0.758   0.103
 1614   HD23  LEU  58          HD23      LEU  58  16.358   0.357   0.191
 1615    H    MET  59           H        MET  59  17.489  -2.448   4.420
 1616    HA   MET  59           HA       MET  59  15.099  -3.786   4.683
 1617    HB2  MET  59           HB2      MET  59  16.991  -5.085   4.221
 1618    HB3  MET  59           HB3      MET  59  17.873  -4.457   5.605
 1619    HG2  MET  59           HG2      MET  59  17.122  -6.801   5.848
 1620    HG3  MET  59           HG3      MET  59  16.554  -5.725   7.120
 1621    HE1  MET  59           HE1      MET  59  15.202  -6.007   3.465
 1622    HE2  MET  59           HE2      MET  59  15.557  -7.696   3.855
 1623    HE3  MET  59           HE3      MET  59  13.881  -7.169   3.649
 1624    H    SER  60           H        SER  60  17.179  -2.605   7.312
 1625    HA   SER  60           HA       SER  60  15.410  -3.608   9.329
 1626    HB2  SER  60           HB2      SER  60  16.934  -2.311  10.865
 1627    HB3  SER  60           HB3      SER  60  17.730  -3.518   9.852
 1628    HG   SER  60           HG       SER  60  17.560  -1.016   8.709
 1629    H    ASN  61           H        ASN  61  15.208  -0.990   7.290
 1630    HA   ASN  61           HA       ASN  61  13.753   0.675   9.187
 1631    HB2  ASN  61           HB2      ASN  61  14.726   1.094   6.383
 1632    HB3  ASN  61           HB3      ASN  61  13.475   2.121   7.065
 1633   HD21  ASN  61          HD21      ASN  61  14.775   3.944   6.984
 1634   HD22  ASN  61          HD22      ASN  61  16.095   4.171   8.084
 1635    H    LEU  62           H        LEU  62  13.295  -1.707   6.758
 1636    HA   LEU  62           HA       LEU  62  10.416  -1.234   6.713
 1637    HB2  LEU  62           HB2      LEU  62  12.274  -3.090   5.282
 1638    HB3  LEU  62           HB3      LEU  62  10.585  -3.531   5.425
 1639    HG   LEU  62           HG       LEU  62  10.843  -2.497   3.322
 1640   HD11  LEU  62          HD11      LEU  62   8.824  -1.856   4.461
 1641   HD12  LEU  62          HD12      LEU  62   9.681  -0.548   5.293
 1642   HD13  LEU  62          HD13      LEU  62   9.433  -0.474   3.552
 1643   HD21  LEU  62          HD21      LEU  62  12.982  -1.393   3.717
 1644   HD22  LEU  62          HD22      LEU  62  11.807  -0.294   2.995
 1645   HD23  LEU  62          HD23      LEU  62  12.173  -0.186   4.718
 1646    H    ASP  63           H        ASP  63  12.444  -4.068   7.251
 1647    HA   ASP  63           HA       ASP  63  10.528  -5.524   8.686
 1648    HB2  ASP  63           HB2      ASP  63  12.404  -6.597   7.571
 1649    HB3  ASP  63           HB3      ASP  63  13.541  -5.759   8.614
 1650    H    SER  64           H        SER  64   9.683  -4.931  10.549
 1651    HA   SER  64           HA       SER  64  11.094  -3.224  12.382
 1652    HB2  SER  64           HB2      SER  64   8.427  -4.630  12.677
 1653    HB3  SER  64           HB3      SER  64   9.033  -3.340  13.716
 1654    HG   SER  64           HG       SER  64   8.116  -3.227  11.058
 1655    H    ASN  65           H        ASN  65  10.877  -6.568  11.864
 1656    HA   ASN  65           HA       ASN  65  11.504  -7.394  14.546
 1657    HB2  ASN  65           HB2      ASN  65  11.767  -8.822  11.889
 1658    HB3  ASN  65           HB3      ASN  65  12.111  -9.568  13.445
 1659   HD21  ASN  65          HD21      ASN  65  10.117 -10.197  11.377
 1660   HD22  ASN  65          HD22      ASN  65   8.591 -10.180  12.189
 1661    H    ARG  66           H        ARG  66  13.173  -6.087  11.877
 1662    HA   ARG  66           HA       ARG  66  15.332  -5.569  11.440
 1663    HB2  ARG  66           HB2      ARG  66  15.423  -5.703  14.454
 1664    HB3  ARG  66           HB3      ARG  66  16.773  -5.139  13.477
 1665    HG2  ARG  66           HG2      ARG  66  15.523  -3.290  12.668
 1666    HG3  ARG  66           HG3      ARG  66  14.024  -3.927  13.343
 1667    HD2  ARG  66           HD2      ARG  66  16.415  -3.058  14.964
 1668    HD3  ARG  66           HD3      ARG  66  14.987  -2.067  14.666
 1669    HE   ARG  66           HE       ARG  66  15.093  -4.508  16.299
 1670   HH11  ARG  66          HH12      ARG  66  13.387  -1.653  15.220
 1671   HH12  ARG  66          HH11      ARG  66  12.124  -1.792  16.407
 1672   HH21  ARG  66          HH22      ARG  66  13.442  -4.706  17.861
 1673   HH22  ARG  66          HH21      ARG  66  12.147  -3.541  17.900
 1674    H    ASP  67           H        ASP  67  14.764  -8.127  10.925
 1675    HA   ASP  67           HA       ASP  67  17.050  -9.671  11.995
 1676    HB2  ASP  67           HB2      ASP  67  14.780 -10.540  12.600
 1677    HB3  ASP  67           HB3      ASP  67  14.446 -10.747  10.883
 1678    H    ASN  68           H        ASN  68  15.899  -8.032   9.406
 1679    HA   ASN  68           HA       ASN  68  16.830  -7.640   7.387
 1680    HB2  ASN  68           HB2      ASN  68  18.776  -9.502   8.515
 1681    HB3  ASN  68           HB3      ASN  68  18.679  -9.569   6.757
 1682   HD21  ASN  68          HD21      ASN  68  19.317  -7.509   9.508
 1683   HD22  ASN  68          HD22      ASN  68  20.154  -6.274   8.629
 1684    H    GLU  69           H        GLU  69  14.531  -9.237   7.781
 1685    HA   GLU  69           HA       GLU  69  14.249 -10.032   5.069
 1686    HB2  GLU  69           HB2      GLU  69  13.402 -12.344   5.584
 1687    HB3  GLU  69           HB3      GLU  69  15.137 -12.127   5.731
 1688    HG2  GLU  69           HG2      GLU  69  14.924 -11.997   8.152
 1689    HG3  GLU  69           HG3      GLU  69  13.177 -12.191   8.014
 1690    H    VAL  70           H        VAL  70  12.411  -9.201   4.502
 1691    HA   VAL  70           HA       VAL  70  10.569  -8.269   6.522
 1692    HB   VAL  70           HB       VAL  70  10.984  -7.741   3.604
 1693   HG11  VAL  70          HG11      VAL  70   8.547  -6.880   5.154
 1694   HG12  VAL  70          HG12      VAL  70   9.005  -6.307   3.550
 1695   HG13  VAL  70          HG13      VAL  70   8.569  -8.000   3.792
 1696   HG21  VAL  70          HG21      VAL  70  11.125  -5.435   4.382
 1697   HG22  VAL  70          HG22      VAL  70  10.732  -5.961   6.020
 1698   HG23  VAL  70          HG23      VAL  70  12.242  -6.477   5.266
 1699    H    ASP  71           H        ASP  71   8.571  -8.982   6.937
 1700    HA   ASP  71           HA       ASP  71   7.617 -11.346   5.511
 1701    HB2  ASP  71           HB2      ASP  71   7.723 -11.121   8.090
 1702    HB3  ASP  71           HB3      ASP  71   6.270 -10.136   7.915
 1703    H    PHE  72           H        PHE  72   4.844 -11.105   5.858
 1704    HA   PHE  72           HA       PHE  72   4.466  -9.845   3.360
 1705    HB2  PHE  72           HB2      PHE  72   3.302 -11.921   4.268
 1706    HB3  PHE  72           HB3      PHE  72   2.229 -10.812   5.112
 1707    HD1  PHE  72           HD1      PHE  72   3.502  -9.833   1.838
 1708    HD2  PHE  72           HD2      PHE  72   0.336 -11.782   3.908
 1709    HE1  PHE  72           HE1      PHE  72   2.109  -9.690  -0.177
 1710    HE2  PHE  72           HE2      PHE  72  -1.062 -11.645   1.892
 1711    HZ   PHE  72           HZ       PHE  72  -0.178 -10.598  -0.153
 1712    H    GLN  73           H        GLN  73   3.076  -8.963   6.592
 1713    HA   GLN  73           HA       GLN  73   1.698  -6.718   5.496
 1714    HB2  GLN  73           HB2      GLN  73   1.392  -7.878   7.853
 1715    HB3  GLN  73           HB3      GLN  73   2.568  -6.673   8.363
 1716    HG2  GLN  73           HG2      GLN  73   1.135  -4.902   7.482
 1717    HG3  GLN  73           HG3      GLN  73  -0.072  -6.117   7.064
 1718   HE21  GLN  73          HE21      GLN  73   1.482  -4.372   9.605
 1719   HE22  GLN  73          HE22      GLN  73   0.388  -4.833  10.872
 1720    H    GLU  74           H        GLU  74   4.899  -7.181   6.867
 1721    HA   GLU  74           HA       GLU  74   5.708  -4.489   6.948
 1722    HB2  GLU  74           HB2      GLU  74   6.851  -6.847   7.654
 1723    HB3  GLU  74           HB3      GLU  74   7.733  -6.501   6.174
 1724    HG2  GLU  74           HG2      GLU  74   9.083  -5.496   7.701
 1725    HG3  GLU  74           HG3      GLU  74   8.035  -4.136   7.278
 1726    H    TYR  75           H        TYR  75   5.738  -6.920   4.414
 1727    HA   TYR  75           HA       TYR  75   7.081  -5.495   2.409
 1728    HB2  TYR  75           HB2      TYR  75   6.557  -7.906   2.265
 1729    HB3  TYR  75           HB3      TYR  75   4.845  -7.530   2.139
 1730    HD1  TYR  75           HD1      TYR  75   4.067  -6.209   0.096
 1731    HD2  TYR  75           HD2      TYR  75   7.903  -8.029   0.362
 1732    HE1  TYR  75           HE1      TYR  75   4.278  -6.071  -2.350
 1733    HE2  TYR  75           HE2      TYR  75   8.128  -7.896  -2.092
 1734    HH   TYR  75           HH       TYR  75   6.042  -6.046  -4.041
 1735    H    CYS  76           H        CYS  76   3.763  -5.400   3.518
 1736    HA   CYS  76           HA       CYS  76   2.948  -3.846   1.234
 1737    HB2  CYS  76           HB2      CYS  76   1.349  -4.732   3.636
 1738    HB3  CYS  76           HB3      CYS  76   0.695  -4.092   2.130
 1739    HG   CYS  76           HG       CYS  76   2.332  -7.079   2.518
 1740    H    VAL  77           H        VAL  77   3.378  -3.342   4.741
 1741    HA   VAL  77           HA       VAL  77   2.502  -0.646   4.745
 1742    HB   VAL  77           HB       VAL  77   2.788  -1.809   6.858
 1743   HG11  VAL  77          HG11      VAL  77   4.552  -3.298   6.335
 1744   HG12  VAL  77          HG12      VAL  77   5.676  -1.962   6.064
 1745   HG13  VAL  77          HG13      VAL  77   5.080  -2.299   7.691
 1746   HG21  VAL  77          HG21      VAL  77   3.747  -0.118   8.147
 1747   HG22  VAL  77          HG22      VAL  77   4.957   0.273   6.921
 1748   HG23  VAL  77          HG23      VAL  77   3.268   0.722   6.674
 1749    H    PHE  78           H        PHE  78   5.488  -2.218   3.931
 1750    HA   PHE  78           HA       PHE  78   7.198  -0.153   3.347
 1751    HB2  PHE  78           HB2      PHE  78   7.934  -2.361   2.983
 1752    HB3  PHE  78           HB3      PHE  78   6.544  -2.755   1.984
 1753    HD1  PHE  78           HD1      PHE  78   9.804  -1.165   2.105
 1754    HD2  PHE  78           HD2      PHE  78   6.493  -2.199  -0.358
 1755    HE1  PHE  78           HE1      PHE  78  11.161  -0.725   0.091
 1756    HE2  PHE  78           HE2      PHE  78   7.836  -1.758  -2.372
 1757    HZ   PHE  78           HZ       PHE  78  10.180  -1.024  -2.144
 1758    H    LEU  79           H        LEU  79   4.538  -1.418   1.418
 1759    HA   LEU  79           HA       LEU  79   4.882   0.330  -0.770
 1760    HB2  LEU  79           HB2      LEU  79   2.756  -1.548   0.130
 1761    HB3  LEU  79           HB3      LEU  79   2.415  -0.430  -1.178
 1762    HG   LEU  79           HG       LEU  79   4.903  -1.709  -1.719
 1763   HD11  LEU  79          HD11      LEU  79   4.139  -3.491  -0.244
 1764   HD12  LEU  79          HD12      LEU  79   2.620  -3.585  -1.138
 1765   HD13  LEU  79          HD13      LEU  79   4.139  -4.013  -1.926
 1766   HD21  LEU  79          HD21      LEU  79   3.059  -0.644  -3.137
 1767   HD22  LEU  79          HD22      LEU  79   3.908  -2.078  -3.767
 1768   HD23  LEU  79          HD23      LEU  79   2.288  -2.239  -3.058
 1769    H    SER  80           H        SER  80   2.648   0.329   1.964
 1770    HA   SER  80           HA       SER  80   1.255   2.628   1.041
 1771    HB2  SER  80           HB2      SER  80   0.489   2.584   3.543
 1772    HB3  SER  80           HB3      SER  80  -0.015   1.319   2.422
 1773    HG   SER  80           HG       SER  80   0.791   0.058   3.905
 1774    H    CYS  81           H        CYS  81   4.076   2.040   2.937
 1775    HA   CYS  81           HA       CYS  81   4.531   4.597   3.933
 1776    HB2  CYS  81           HB2      CYS  81   6.095   3.003   4.633
 1777    HB3  CYS  81           HB3      CYS  81   6.360   2.410   2.992
 1778    HG   CYS  81           HG       CYS  81   8.126   4.191   2.222
 1779    H    ILE  82           H        ILE  82   5.521   3.167   0.810
 1780    HA   ILE  82           HA       ILE  82   6.794   5.444  -0.164
 1781    HB   ILE  82           HB       ILE  82   5.393   3.311  -1.804
 1782   HG12  ILE  82          HG12      ILE  82   8.101   3.517  -0.522
 1783   HG13  ILE  82          HG13      ILE  82   7.015   2.134  -0.628
 1784   HG21  ILE  82          HG21      ILE  82   7.553   5.280  -2.583
 1785   HG22  ILE  82          HG22      ILE  82   6.827   4.056  -3.625
 1786   HG23  ILE  82          HG23      ILE  82   5.851   5.404  -3.038
 1787   HD11  ILE  82          HD11      ILE  82   8.702   3.286  -2.840
 1788   HD12  ILE  82          HD12      ILE  82   8.954   1.759  -1.996
 1789   HD13  ILE  82          HD13      ILE  82   7.541   1.961  -3.039
 1790    H    ALA  83           H        ALA  83   3.430   4.392  -0.649
 1791    HA   ALA  83           HA       ALA  83   2.636   6.495  -2.312
 1792    HB1  ALA  83           HB1      ALA  83   1.352   4.425  -1.868
 1793    HB2  ALA  83           HB2      ALA  83   0.925   5.076  -0.286
 1794    HB3  ALA  83           HB3      ALA  83   0.385   5.902  -1.752
 1795    H    MET  84           H        MET  84   2.444   6.207   1.210
 1796    HA   MET  84           HA       MET  84   1.309   8.819   1.567
 1797    HB2  MET  84           HB2      MET  84   0.691   7.137   3.098
 1798    HB3  MET  84           HB3      MET  84   2.362   6.696   3.400
 1799    HG2  MET  84           HG2      MET  84   2.642   8.981   4.431
 1800    HG3  MET  84           HG3      MET  84   0.878   9.115   4.353
 1801    HE1  MET  84           HE1      MET  84   2.097   5.595   4.548
 1802    HE2  MET  84           HE2      MET  84   3.563   6.374   5.206
 1803    HE3  MET  84           HE3      MET  84   2.560   5.318   6.247
 1804    H    MET  85           H        MET  85   4.496   7.498   1.467
 1805    HA   MET  85           HA       MET  85   5.802   9.777   2.545
 1806    HB2  MET  85           HB2      MET  85   6.749   7.451   2.251
 1807    HB3  MET  85           HB3      MET  85   6.934   7.852   0.537
 1808    HG2  MET  85           HG2      MET  85   8.052  10.001   1.642
 1809    HG3  MET  85           HG3      MET  85   8.413   8.821   2.884
 1810    HE1  MET  85           HE1      MET  85  10.442   6.502   2.101
 1811    HE2  MET  85           HE2      MET  85   8.654   6.510   2.065
 1812    HE3  MET  85           HE3      MET  85   9.592   5.971   0.630
 1813    H    CYS  86           H        CYS  86   4.747   8.706  -0.609
 1814    HA   CYS  86           HA       CYS  86   5.819  10.823  -2.154
 1815    HB2  CYS  86           HB2      CYS  86   5.102   8.665  -3.112
 1816    HB3  CYS  86           HB3      CYS  86   3.432   9.041  -2.695
 1817    HG   CYS  86           HG       CYS  86   5.340  10.250  -5.205
 1818    H    ASN  87           H        ASN  87   3.233  10.627   0.000
 1819    HA   ASN  87           HA       ASN  87   1.238  12.180  -1.059
 1820    HB2  ASN  87           HB2      ASN  87   1.204  10.945   1.119
 1821    HB3  ASN  87           HB3      ASN  87   2.142  12.259   1.822
 1822   HD21  ASN  87          HD21      ASN  87  -0.422  12.552  -0.559
 1823   HD22  ASN  87          HD22      ASN  87  -1.512  13.417   0.461
 1824    H    GLU  88           H        GLU  88   4.249  13.244   0.475
 1825    HA   GLU  88           HA       GLU  88   3.491  16.026   0.451
 1826    HB2  GLU  88           HB2      GLU  88   5.733  16.455   1.293
 1827    HB3  GLU  88           HB3      GLU  88   5.006  15.122   2.181
 1828    HG2  GLU  88           HG2      GLU  88   6.300  13.523   0.941
 1829    HG3  GLU  88           HG3      GLU  88   6.939  14.791  -0.100
 1830    H    PHE  89           H        PHE  89   5.310  13.845  -1.578
 1831    HA   PHE  89           HA       PHE  89   6.586  15.903  -3.113
 1832    HB2  PHE  89           HB2      PHE  89   6.308  12.927  -3.573
 1833    HB3  PHE  89           HB3      PHE  89   7.299  14.002  -4.563
 1834    HD1  PHE  89           HD1      PHE  89   9.251  15.164  -3.524
 1835    HD2  PHE  89           HD2      PHE  89   7.086  12.099  -1.521
 1836    HE1  PHE  89           HE1      PHE  89  11.139  14.849  -1.978
 1837    HE2  PHE  89           HE2      PHE  89   8.970  11.775   0.030
 1838    HZ   PHE  89           HZ       PHE  89  11.000  13.152  -0.197
 1839    H    PHE  90           H        PHE  90   4.209  13.398  -3.996
 1840    HA   PHE  90           HA       PHE  90   3.777  14.648  -6.548
 1841    HB2  PHE  90           HB2      PHE  90   3.759  12.205  -6.290
 1842    HB3  PHE  90           HB3      PHE  90   2.352  12.317  -5.241
 1843    HD1  PHE  90           HD1      PHE  90   3.585  12.634  -8.678
 1844    HD2  PHE  90           HD2      PHE  90   0.155  12.686  -6.160
 1845    HE1  PHE  90           HE1      PHE  90   2.133  12.462 -10.657
 1846    HE2  PHE  90           HE2      PHE  90  -1.302  12.513  -8.134
 1847    HZ   PHE  90           HZ       PHE  90  -0.313  12.402 -10.386
 1848    H    GLU  91           H        GLU  91   1.659  13.958  -3.762
 1849    HA   GLU  91           HA       GLU  91  -0.459  15.541  -4.848
 1850    HB2  GLU  91           HB2      GLU  91  -0.735  13.545  -3.320
 1851    HB3  GLU  91           HB3      GLU  91  -0.199  14.575  -2.002
 1852    HG2  GLU  91           HG2      GLU  91  -2.662  14.352  -2.185
 1853    HG3  GLU  91           HG3      GLU  91  -2.085  16.017  -2.272
 1854    H    GLY  92           H        GLY  92   1.848  15.961  -2.169
 1855    HA2  GLY  92           HA2      GLY  92   2.928  17.924  -1.568
 1856    HA3  GLY  92           HA3      GLY  92   2.002  18.774  -2.794
 1857    H    PHE  93           H        PHE  93   0.861  16.880  -0.010
 1858    HA   PHE  93           HA       PHE  93  -0.646  19.255   0.820
 1859    HB2  PHE  93           HB2      PHE  93  -1.893  17.114   0.339
 1860    HB3  PHE  93           HB3      PHE  93  -1.076  16.404   1.725
 1861    HD1  PHE  93           HD2      PHE  93  -3.545  18.883   0.637
 1862    HD2  PHE  93           HD1      PHE  93  -1.714  16.970   3.967
 1863    HE1  PHE  93           HE2      PHE  93  -5.303  19.773   2.108
 1864    HE2  PHE  93           HE1      PHE  93  -3.468  17.855   5.446
 1865    HZ   PHE  93           HZ       PHE  93  -5.266  19.260   4.519
 1866    HA   PRO  94           HA       PRO  94   2.446  19.386   4.000
 1867    HB2  PRO  94           HB2      PRO  94   1.795  21.801   5.010
 1868    HB3  PRO  94           HB3      PRO  94   2.629  21.617   3.463
 1869    HG2  PRO  94           HG2      PRO  94  -0.258  22.155   4.006
 1870    HG3  PRO  94           HG3      PRO  94   0.792  22.836   2.752
 1871    HD2  PRO  94           HD2      PRO  94  -0.997  20.791   2.330
 1872    HD3  PRO  94           HD3      PRO  94   0.453  21.067   1.346
 1873    H    ASP  95           H        ASP  95   1.561  17.659   5.251
 1874    HA   ASP  95           HA       ASP  95   0.432  18.653   7.735
 1875    HB2  ASP  95           HB2      ASP  95  -1.568  18.005   6.472
 1876    HB3  ASP  95           HB3      ASP  95  -0.892  16.398   6.215
 1877    H    LYS  96           H        LYS  96   1.370  15.667   6.020
 1878    HA   LYS  96           HA       LYS  96   2.563  14.763   8.542
 1879    HB2  LYS  96           HB2      LYS  96   2.345  12.448   7.610
 1880    HB3  LYS  96           HB3      LYS  96   0.830  13.261   7.952
 1881    HG2  LYS  96           HG2      LYS  96   1.349  13.838   5.277
 1882    HG3  LYS  96           HG3      LYS  96   1.810  12.146   5.479
 1883    HD2  LYS  96           HD2      LYS  96  -0.478  12.091   4.926
 1884    HD3  LYS  96           HD3      LYS  96  -0.427  11.852   6.675
 1885    HE2  LYS  96           HE2      LYS  96  -0.687  14.434   6.772
 1886    HE3  LYS  96           HE3      LYS  96  -1.255  14.269   5.115
 1887    HZ1  LYS  96           HZ1      LYS  96  -3.124  14.237   6.562
 1888    HZ2  LYS  96           HZ2      LYS  96  -2.436  13.044   7.542
 1889    HZ3  LYS  96           HZ3      LYS  96  -2.934  12.658   5.969
 1890    H    GLN  97           H        GLN  97   4.566  15.424   8.505
 1891    HA   GLN  97           HA       GLN  97   6.738  15.728   7.945
 1892    HB2  GLN  97           HB2      GLN  97   6.257  12.982   6.794
 1893    HB3  GLN  97           HB3      GLN  97   7.851  13.698   6.976
 1894    HG2  GLN  97           HG2      GLN  97   5.921  13.199   9.231
 1895    HG3  GLN  97           HG3      GLN  97   7.270  12.149   8.798
 1896   HE21  GLN  97          HE21      GLN  97   9.345  12.774   9.281
 1897   HE22  GLN  97          HE22      GLN  97   9.715  14.106  10.321
 1898    HA   PRO  98           HA       PRO  98   6.271  16.795   3.469
 1899    HB2  PRO  98           HB2      PRO  98   5.245  19.330   3.690
 1900    HB3  PRO  98           HB3      PRO  98   4.261  17.877   3.515
 1901    HG2  PRO  98           HG2      PRO  98   4.492  19.618   5.799
 1902    HG3  PRO  98           HG3      PRO  98   3.434  18.215   5.588
 1903    HD2  PRO  98           HD2      PRO  98   6.018  18.425   6.993
 1904    HD3  PRO  98           HD3      PRO  98   4.728  17.216   7.174
 1905    H    ARG  99           H        ARG  99   8.340  17.154   2.894
 1906    HA   ARG  99           HA       ARG  99   9.637  19.653   3.745
 1907    HB2  ARG  99           HB2      ARG  99  11.065  16.994   3.794
 1908    HB3  ARG  99           HB3      ARG  99  11.687  18.546   4.329
 1909    HG2  ARG  99           HG2      ARG  99  10.312  18.548   6.244
 1910    HG3  ARG  99           HG3      ARG  99   9.336  17.209   5.633
 1911    HD2  ARG  99           HD2      ARG  99  12.210  17.120   6.532
 1912    HD3  ARG  99           HD3      ARG  99  10.822  16.356   7.308
 1913    HE   ARG  99           HE       ARG  99  11.057  15.440   4.643
 1914   HH11  ARG  99          HH12      ARG  99  12.514  15.077   7.812
 1915   HH12  ARG  99          HH11      ARG  99  13.210  13.522   7.448
 1916   HH21  ARG  99          HH22      ARG  99  11.954  13.418   4.167
 1917   HH22  ARG  99          HH21      ARG  99  12.882  12.570   5.371
 1918    H    LYS 100           H        LYS 100   9.440  20.462   1.657
 1919    HA   LYS 100           HA       LYS 100  10.277  21.024  -0.377
 1920    HB2  LYS 100           HB2      LYS 100  12.219  18.749   0.038
 1921    HB3  LYS 100           HB3      LYS 100  12.293  19.915  -1.271
 1922    HG2  LYS 100           HG2      LYS 100  12.593  21.708   0.419
 1923    HG3  LYS 100           HG3      LYS 100  12.666  20.458   1.665
 1924    HD2  LYS 100           HD2      LYS 100  14.533  20.754  -0.692
 1925    HD3  LYS 100           HD3      LYS 100  14.912  21.113   0.993
 1926    HE2  LYS 100           HE2      LYS 100  14.688  18.800   1.597
 1927    HE3  LYS 100           HE3      LYS 100  14.092  18.390  -0.010
 1928    HZ1  LYS 100           HZ1      LYS 100  16.403  17.779   0.215
 1929    HZ2  LYS 100           HZ2      LYS 100  16.826  19.363   0.644
 1930    HZ3  LYS 100           HZ3      LYS 100  16.256  19.031  -0.920
 1931    H    LYS 101           H        LYS 101  10.380  20.274  -2.626
 1932    HA   LYS 101           HA       LYS 101   9.236  17.617  -3.100
 1933    HB2  LYS 101           HB2      LYS 101   8.243  20.200  -4.322
 1934    HB3  LYS 101           HB3      LYS 101   7.889  18.622  -5.002
 1935    HG2  LYS 101           HG2      LYS 101   5.997  19.060  -3.776
 1936    HG3  LYS 101           HG3      LYS 101   6.947  18.096  -2.644
 1937    HD2  LYS 101           HD2      LYS 101   7.753  20.186  -1.602
 1938    HD3  LYS 101           HD3      LYS 101   6.710  21.103  -2.692
 1939    HE2  LYS 101           HE2      LYS 101   4.761  19.886  -1.773
 1940    HE3  LYS 101           HE3      LYS 101   5.837  19.096  -0.619
 1941    HZ1  LYS 101           HZ1      LYS 101   5.298  22.009  -0.821
 1942    HZ2  LYS 101           HZ2      LYS 101   6.428  21.308   0.233
 1943    HZ3  LYS 101           HZ3      LYS 101   4.777  20.964   0.409
  Start of MODEL    4
    1    H1   GLN1897           H1       GLN1897 -20.859 -10.903   3.114
    2    H2   GLN1897           H2       GLN1897 -19.549 -11.976   3.049
    3    H3   GLN1897           H3       GLN1897 -20.797 -12.091   1.906
    4    HA   GLN1897           HA       GLN1897 -18.879 -11.061   0.920
    5    HB2  GLN1897           HB2      GLN1897 -21.199 -10.344   0.287
    6    HB3  GLN1897           HB3      GLN1897 -21.062  -9.025   1.440
    7    HG2  GLN1897           HG2      GLN1897 -20.648  -8.334  -0.885
    8    HG3  GLN1897           HG3      GLN1897 -19.268  -8.032   0.175
    9   HE21  GLN1897          HE21      GLN1897 -17.719  -8.081  -1.366
   10   HE22  GLN1897          HE22      GLN1897 -17.292  -9.496  -2.254
   11    H    ARG1898           H        ARG1898 -17.611  -8.989   0.795
   12    HA   ARG1898           HA       ARG1898 -16.523  -7.218   1.545
   13    HB2  ARG1898           HB2      ARG1898 -18.270  -6.454   2.970
   14    HB3  ARG1898           HB3      ARG1898 -17.883  -7.684   4.167
   15    HG2  ARG1898           HG2      ARG1898 -15.590  -6.661   4.316
   16    HG3  ARG1898           HG3      ARG1898 -16.210  -5.332   3.341
   17    HD2  ARG1898           HD2      ARG1898 -16.182  -4.872   5.742
   18    HD3  ARG1898           HD3      ARG1898 -17.804  -4.766   5.034
   19    HE   ARG1898           HE       ARG1898 -16.870  -7.127   6.552
   20   HH11  ARG1898          HH12      ARG1898 -19.384  -4.815   5.750
   21   HH12  ARG1898          HH11      ARG1898 -20.491  -5.431   6.931
   22   HH21  ARG1898          HH22      ARG1898 -18.325  -7.907   8.130
   23   HH22  ARG1898          HH21      ARG1898 -19.896  -7.163   8.277
   24    H    GLU1899           H        GLU1899 -14.960  -8.627   1.005
   25    HA   GLU1899           HA       GLU1899 -13.242 -10.002   2.690
   26    HB2  GLU1899           HB2      GLU1899 -11.529  -8.846   1.063
   27    HB3  GLU1899           HB3      GLU1899 -12.698 -10.000   0.423
   28    HG2  GLU1899           HG2      GLU1899 -13.566  -7.188   0.562
   29    HG3  GLU1899           HG3      GLU1899 -12.330  -7.541  -0.631
   30    H    LEU1900           H        LEU1900 -14.037  -6.642   2.415
   31    HA   LEU1900           HA       LEU1900 -11.704  -5.538   3.521
   32    HB2  LEU1900           HB2      LEU1900 -14.488  -4.414   3.285
   33    HB3  LEU1900           HB3      LEU1900 -13.152  -3.530   3.962
   34    HG   LEU1900           HG       LEU1900 -13.329  -2.740   1.808
   35   HD11  LEU1900          HD11      LEU1900 -11.057  -3.171   2.390
   36   HD12  LEU1900          HD12      LEU1900 -11.177  -4.820   1.777
   37   HD13  LEU1900          HD13      LEU1900 -11.301  -3.454   0.666
   38   HD21  LEU1900          HD21      LEU1900 -13.489  -4.057  -0.178
   39   HD22  LEU1900          HD22      LEU1900 -13.493  -5.538   0.788
   40   HD23  LEU1900          HD23      LEU1900 -14.824  -4.389   0.931
   41    H    GLU1901           H        GLU1901 -13.821  -7.526   5.077
   42    HA   GLU1901           HA       GLU1901 -13.894  -6.155   7.610
   43    HB2  GLU1901           HB2      GLU1901 -15.621  -7.797   7.000
   44    HB3  GLU1901           HB3      GLU1901 -14.411  -9.069   6.994
   45    HG2  GLU1901           HG2      GLU1901 -14.053  -8.817   9.349
   46    HG3  GLU1901           HG3      GLU1901 -15.097  -7.398   9.401
   47    H    ASP1902           H        ASP1902 -12.134  -8.961   6.302
   48    HA   ASP1902           HA       ASP1902 -10.220  -8.835   8.478
   49    HB2  ASP1902           HB2      ASP1902  -9.063 -10.648   7.191
   50    HB3  ASP1902           HB3      ASP1902 -10.708 -11.044   7.677
   51    H    ALA1903           H        ALA1903 -10.594  -7.776   5.234
   52    HA   ALA1903           HA       ALA1903  -8.099  -7.257   4.270
   53    HB1  ALA1903           HB1      ALA1903  -9.076  -5.516   2.977
   54    HB2  ALA1903           HB2      ALA1903 -10.321  -6.746   3.204
   55    HB3  ALA1903           HB3      ALA1903 -10.363  -5.267   4.172
   56    H    THR1904           H        THR1904 -10.032  -4.821   5.897
   57    HA   THR1904           HA       THR1904  -7.605  -3.261   6.237
   58    HB   THR1904           HB       THR1904  -9.212  -1.354   6.488
   59    HG1  THR1904           HG1      THR1904 -11.370  -1.733   6.133
   60   HG21  THR1904          HG21      THR1904  -9.857  -1.365   4.094
   61   HG22  THR1904          HG22      THR1904  -9.421  -3.070   4.008
   62   HG23  THR1904          HG23      THR1904  -8.182  -1.859   4.342
   63    H    GLU1905           H        GLU1905  -9.422  -5.324   7.979
   64    HA   GLU1905           HA       GLU1905  -9.433  -4.329  10.582
   65    HB2  GLU1905           HB2      GLU1905 -10.220  -6.588   9.895
   66    HB3  GLU1905           HB3      GLU1905  -8.546  -7.036   9.585
   67    HG2  GLU1905           HG2      GLU1905  -9.120  -7.972  11.671
   68    HG3  GLU1905           HG3      GLU1905  -8.065  -6.603  11.997
   69    H    THR1906           H        THR1906  -6.933  -5.886   8.670
   70    HA   THR1906           HA       THR1906  -4.822  -5.463  10.517
   71    HB   THR1906           HB       THR1906  -4.076  -5.816   7.699
   72    HG1  THR1906           HG1      THR1906  -5.283  -7.550   7.283
   73   HG21  THR1906          HG21      THR1906  -2.847  -7.716   8.636
   74   HG22  THR1906          HG22      THR1906  -3.676  -7.500  10.178
   75   HG23  THR1906          HG23      THR1906  -2.566  -6.260   9.592
   76    H    ALA1907           H        ALA1907  -6.394  -3.492   8.148
   77    HA   ALA1907           HA       ALA1907  -4.325  -1.787   7.427
   78    HB1  ALA1907           HB1      ALA1907  -7.199  -0.997   7.889
   79    HB2  ALA1907           HB2      ALA1907  -6.002  -0.047   7.007
   80    HB3  ALA1907           HB3      ALA1907  -6.527  -1.616   6.377
   81    H    ASP1908           H        ASP1908  -6.498  -1.580  10.213
   82    HA   ASP1908           HA       ASP1908  -5.494   0.662  11.467
   83    HB2  ASP1908           HB2      ASP1908  -7.429  -0.486  12.334
   84    HB3  ASP1908           HB3      ASP1908  -6.473  -1.919  12.697
   85    H    ALA1909           H        ALA1909  -4.205  -2.656  11.617
   86    HA   ALA1909           HA       ALA1909  -2.184  -2.055  13.522
   87    HB1  ALA1909           HB1      ALA1909  -2.256  -4.304  11.517
   88    HB2  ALA1909           HB2      ALA1909  -1.238  -4.213  12.955
   89    HB3  ALA1909           HB3      ALA1909  -2.988  -4.336  13.121
   90    H    MET1910           H        MET1910  -1.849  -2.770  10.032
   91    HA   MET1910           HA       MET1910   0.677  -1.897   9.564
   92    HB2  MET1910           HB2      MET1910  -0.468  -2.859   7.769
   93    HB3  MET1910           HB3      MET1910  -1.801  -1.726   7.882
   94    HG2  MET1910           HG2      MET1910  -0.462   0.047   6.944
   95    HG3  MET1910           HG3      MET1910   0.987  -0.966   7.013
   96    HE1  MET1910           HE1      MET1910  -0.091  -3.822   4.475
   97    HE2  MET1910           HE2      MET1910   1.179  -3.294   5.584
   98    HE3  MET1910           HE3      MET1910  -0.404  -3.760   6.210
   99    H    ASN1911           H        ASN1911  -2.103   0.188  10.149
  100    HA   ASN1911           HA       ASN1911  -0.964   2.558   9.089
  101    HB2  ASN1911           HB2      ASN1911  -3.387   2.192   9.649
  102    HB3  ASN1911           HB3      ASN1911  -2.954   2.371  11.343
  103   HD21  ASN1911          HD21      ASN1911  -3.223   3.953   8.290
  104   HD22  ASN1911          HD22      ASN1911  -3.170   5.566   8.882
  105    H    ARG1912           H        ARG1912  -0.653   0.985  12.185
  106    HA   ARG1912           HA       ARG1912   0.400   3.262  13.553
  107    HB2  ARG1912           HB2      ARG1912   0.821   0.384  14.299
  108    HB3  ARG1912           HB3      ARG1912   0.790   1.777  15.367
  109    HG2  ARG1912           HG2      ARG1912  -1.527   0.500  13.942
  110    HG3  ARG1912           HG3      ARG1912  -1.266   0.653  15.682
  111    HD2  ARG1912           HD2      ARG1912  -1.546   3.042  15.564
  112    HD3  ARG1912           HD3      ARG1912  -1.631   2.983  13.800
  113    HE   ARG1912           HE       ARG1912  -3.681   1.380  14.651
  114   HH11  ARG1912          HH12      ARG1912  -2.728   4.710  15.145
  115   HH12  ARG1912          HH11      ARG1912  -4.354   5.266  15.414
  116   HH21  ARG1912          HH22      ARG1912  -5.834   2.113  14.959
  117   HH22  ARG1912          HH21      ARG1912  -6.107   3.795  15.320
  118    H    GLU1913           H        GLU1913   1.737   0.467  11.904
  119    HA   GLU1913           HA       GLU1913   4.449   1.274  12.427
  120    HB2  GLU1913           HB2      GLU1913   5.024  -0.600  10.885
  121    HB3  GLU1913           HB3      GLU1913   4.029  -1.079  12.252
  122    HG2  GLU1913           HG2      GLU1913   2.040  -0.882  10.724
  123    HG3  GLU1913           HG3      GLU1913   3.186  -0.714   9.387
  124    H    VAL1914           H        VAL1914   2.090   1.611   9.868
  125    HA   VAL1914           HA       VAL1914   3.811   2.325   7.769
  126    HB   VAL1914           HB       VAL1914   1.178   1.852   7.870
  127   HG11  VAL1914          HG11      VAL1914  -0.077   3.906   7.341
  128   HG12  VAL1914          HG12      VAL1914   0.538   3.880   8.998
  129   HG13  VAL1914          HG13      VAL1914   1.352   4.852   7.766
  130   HG21  VAL1914          HG21      VAL1914   0.989   2.716   5.599
  131   HG22  VAL1914          HG22      VAL1914   2.503   3.597   5.811
  132   HG23  VAL1914          HG23      VAL1914   2.495   1.832   5.852
  133    H    SER1915           H        SER1915   2.380   4.163  10.359
  134    HA   SER1915           HA       SER1915   2.984   6.698   9.237
  135    HB2  SER1915           HB2      SER1915   2.291   7.496  11.519
  136    HB3  SER1915           HB3      SER1915   1.124   6.467  10.682
  137    HG   SER1915           HG       SER1915   1.248   5.116  12.257
  138    H    SER1916           H        SER1916   4.512   4.500  11.519
  139    HA   SER1916           HA       SER1916   6.711   6.295  12.041
  140    HB2  SER1916           HB2      SER1916   5.924   4.533  13.655
  141    HB3  SER1916           HB3      SER1916   6.561   3.314  12.553
  142    HG   SER1916           HG       SER1916   7.868   4.940  14.329
  143    H    LEU1917           H        LEU1917   6.048   3.576   9.914
  144    HA   LEU1917           HA       LEU1917   8.722   3.163   9.157
  145    HB2  LEU1917           HB2      LEU1917   6.870   1.458   9.096
  146    HB3  LEU1917           HB3      LEU1917   6.297   2.244   7.638
  147    HG   LEU1917           HG       LEU1917   9.068   1.068   7.900
  148   HD11  LEU1917          HD11      LEU1917   6.541  -0.142   6.814
  149   HD12  LEU1917          HD12      LEU1917   8.160  -0.729   6.423
  150   HD13  LEU1917          HD13      LEU1917   7.585  -0.771   8.093
  151   HD21  LEU1917          HD21      LEU1917   8.747   2.799   6.197
  152   HD22  LEU1917          HD22      LEU1917   9.092   1.209   5.506
  153   HD23  LEU1917          HD23      LEU1917   7.443   1.838   5.500
  154    H    LYS1918           H        LYS1918   6.017   4.855   7.486
  155    HA   LYS1918           HA       LYS1918   7.641   5.408   5.237
  156    HB2  LYS1918           HB2      LYS1918   5.803   6.256   4.298
  157    HB3  LYS1918           HB3      LYS1918   4.968   5.696   5.735
  158    HG2  LYS1918           HG2      LYS1918   6.165   8.428   5.538
  159    HG3  LYS1918           HG3      LYS1918   4.529   8.062   4.974
  160    HD2  LYS1918           HD2      LYS1918   3.782   7.464   7.119
  161    HD3  LYS1918           HD3      LYS1918   5.423   7.335   7.743
  162    HE2  LYS1918           HE2      LYS1918   4.601   9.325   8.616
  163    HE3  LYS1918           HE3      LYS1918   5.633   9.802   7.274
  164    HZ1  LYS1918           HZ1      LYS1918   3.630  10.057   5.904
  165    HZ2  LYS1918           HZ2      LYS1918   3.590  11.068   7.258
  166    HZ3  LYS1918           HZ3      LYS1918   2.660   9.652   7.233
  167    H    ASN1919           H        ASN1919   7.680   6.579   8.353
  168    HA   ASN1919           HA       ASN1919   8.943   9.115   7.735
  169    HB2  ASN1919           HB2      ASN1919   7.469   8.817   9.746
  170    HB3  ASN1919           HB3      ASN1919   8.682   7.733  10.418
  171   HD21  ASN1919          HD21      ASN1919   9.140   8.992  12.183
  172   HD22  ASN1919          HD22      ASN1919   9.944  10.524  12.064
  173    H    LYS1920           H        LYS1920   9.864   5.853   8.808
  174    HA   LYS1920           HA       LYS1920  12.592   6.565   9.249
  175    HB2  LYS1920           HB2      LYS1920  12.885   3.958   9.069
  176    HB3  LYS1920           HB3      LYS1920  12.154   4.684  10.486
  177    HG2  LYS1920           HG2      LYS1920   9.938   4.128   9.621
  178    HG3  LYS1920           HG3      LYS1920  10.649   3.342   8.203
  179    HD2  LYS1920           HD2      LYS1920  10.126   1.647   9.788
  180    HD3  LYS1920           HD3      LYS1920  11.879   1.840   9.794
  181    HE2  LYS1920           HE2      LYS1920  11.719   3.220  11.807
  182    HE3  LYS1920           HE3      LYS1920   9.966   3.030  11.797
  183    HZ1  LYS1920           HZ1      LYS1920  10.226   0.672  12.122
  184    HZ2  LYS1920           HZ2      LYS1920  11.065   1.499  13.340
  185    HZ3  LYS1920           HZ3      LYS1920  11.914   0.804  12.050
  186    H    LEU1921           H        LEU1921  10.709   5.366   6.569
  187    HA   LEU1921           HA       LEU1921  12.939   4.811   4.900
  188    HB2  LEU1921           HB2      LEU1921  10.125   5.528   4.077
  189    HB3  LEU1921           HB3      LEU1921  11.346   4.786   3.060
  190    HG   LEU1921           HG       LEU1921   9.811   3.576   5.330
  191   HD11  LEU1921          HD11      LEU1921  10.366   2.657   2.522
  192   HD12  LEU1921          HD12      LEU1921   9.343   1.842   3.709
  193   HD13  LEU1921          HD13      LEU1921   8.879   3.428   3.078
  194   HD21  LEU1921          HD21      LEU1921  12.313   2.440   4.096
  195   HD22  LEU1921          HD22      LEU1921  12.165   3.066   5.739
  196   HD23  LEU1921          HD23      LEU1921  11.257   1.632   5.255
  197    H    ARG1922           H        ARG1922  11.366   7.696   5.864
  198    HA   ARG1922           HA       ARG1922  12.593   9.172   3.660
  199    HB2  ARG1922           HB2      ARG1922  10.101   9.359   4.452
  200    HB3  ARG1922           HB3      ARG1922  10.785  10.443   5.659
  201    HG2  ARG1922           HG2      ARG1922  11.386  12.017   4.111
  202    HG3  ARG1922           HG3      ARG1922  11.507  10.833   2.804
  203    HD2  ARG1922           HD2      ARG1922   9.571  12.271   2.501
  204    HD3  ARG1922           HD3      ARG1922   9.097  10.590   2.777
  205    HE   ARG1922           HE       ARG1922   8.690  11.331   5.157
  206   HH11  ARG1922          HH12      ARG1922   8.535  13.566   2.489
  207   HH12  ARG1922          HH11      ARG1922   7.373  14.613   3.250
  208   HH21  ARG1922          HH22      ARG1922   7.147  12.684   6.172
  209   HH22  ARG1922          HH21      ARG1922   6.563  14.098   5.334
  210    H    ARG1923           H        ARG1923  13.486   8.148   6.563
  211    HA   ARG1923           HA       ARG1923  14.444  10.198   8.104
  212    HB2  ARG1923           HB2      ARG1923  14.666   7.898   8.784
  213    HB3  ARG1923           HB3      ARG1923  15.720   7.543   7.428
  214    HG2  ARG1923           HG2      ARG1923  17.026   7.664   9.419
  215    HG3  ARG1923           HG3      ARG1923  17.418   9.051   8.404
  216    HD2  ARG1923           HD2      ARG1923  16.037  10.488   9.766
  217    HD3  ARG1923           HD3      ARG1923  15.498   9.109  10.727
  218    HE   ARG1923           HE       ARG1923  18.263   9.140  10.891
  219   HH11  ARG1923          HH12      ARG1923  15.611  11.265  11.777
  220   HH12  ARG1923          HH11      ARG1923  16.470  11.968  13.118
  221   HH21  ARG1923          HH22      ARG1923  19.373  10.048  12.652
  222   HH22  ARG1923          HH21      ARG1923  18.609  11.273  13.621
  223    H    GLY1924           H        GLY1924  16.282   8.609   5.481
  224    HA2  GLY1924           HA2      GLY1924  17.221  10.339   3.849
  225    HA3  GLY1924           HA3      GLY1924  17.952  11.033   5.294
  226    H    ASP1925           H        ASP1925  18.142   8.243   6.355
  227    HA   ASP1925           HA       ASP1925  20.681   7.496   5.256
  228    HB2  ASP1925           HB2      ASP1925  18.873   6.321   7.363
  229    HB3  ASP1925           HB3      ASP1925  20.364   5.530   6.862
  230    H    LEU1926           H        LEU1926  17.383   6.699   4.763
  231    HA   LEU1926           HA       LEU1926  17.585   4.200   3.553
  232    HB2  LEU1926           HB2      LEU1926  15.651   6.382   3.701
  233    HB3  LEU1926           HB3      LEU1926  15.553   5.459   2.217
  234    HG   LEU1926           HG       LEU1926  14.484   4.834   4.793
  235   HD11  LEU1926          HD11      LEU1926  13.384   3.082   3.475
  236   HD12  LEU1926          HD12      LEU1926  13.372   4.627   2.623
  237   HD13  LEU1926          HD13      LEU1926  14.509   3.365   2.146
  238   HD21  LEU1926          HD21      LEU1926  15.231   2.533   5.035
  239   HD22  LEU1926          HD22      LEU1926  16.371   2.732   3.705
  240   HD23  LEU1926          HD23      LEU1926  16.599   3.636   5.205
  241    HA   PRO1927           HA       PRO1927  19.350   5.253  -0.406
  242    HB2  PRO1927           HB2      PRO1927  19.097   2.859  -1.560
  243    HB3  PRO1927           HB3      PRO1927  20.235   3.114  -0.237
  244    HG2  PRO1927           HG2      PRO1927  17.514   1.874  -0.181
  245    HG3  PRO1927           HG3      PRO1927  18.998   1.352   0.637
  246    HD2  PRO1927           HD2      PRO1927  16.989   2.794   1.843
  247    HD3  PRO1927           HD3      PRO1927  18.678   2.789   2.383
  248    H    PHE1928           H        PHE1928  16.134   4.772   0.288
  249    HA   PHE1928           HA       PHE1928  15.335   5.300  -2.461
  250    HB2  PHE1928           HB2      PHE1928  14.279   3.345  -2.791
  251    HB3  PHE1928           HB3      PHE1928  15.208   2.769  -1.443
  252    HD1  PHE1928           HD2      PHE1928  12.024   4.654  -1.902
  253    HD2  PHE1928           HD1      PHE1928  14.128   1.502  -0.010
  254    HE1  PHE1928           HE2      PHE1928   9.977   4.000  -0.744
  255    HE2  PHE1928           HE1      PHE1928  12.065   0.825   1.149
  256    HZ   PHE1928           HZ       PHE1928  10.005   2.079   0.758
  257    H    VAL1929           H        VAL1929  13.433   6.393  -2.701
  258    HA   VAL1929           HA       VAL1929  11.738   7.215  -0.559
  259    HB   VAL1929           HB       VAL1929  12.422   9.680  -0.833
  260   HG11  VAL1929          HG11      VAL1929  14.057   9.541   0.946
  261   HG12  VAL1929          HG12      VAL1929  12.754   8.378   1.220
  262   HG13  VAL1929          HG13      VAL1929  14.309   7.828   0.593
  263   HG21  VAL1929          HG21      VAL1929  14.935   8.305  -1.748
  264   HG22  VAL1929          HG22      VAL1929  13.860   9.274  -2.755
  265   HG23  VAL1929          HG23      VAL1929  14.760  10.038  -1.438
  266    H    VAL1930           H        VAL1930  10.185   8.853  -1.305
  267    HA   VAL1930           HA       VAL1930   9.589   8.582  -4.097
  268    HB   VAL1930           HB       VAL1930   8.264  10.392  -2.072
  269   HG11  VAL1930          HG11      VAL1930   6.336  10.281  -3.624
  270   HG12  VAL1930          HG12      VAL1930   7.754  11.031  -4.359
  271   HG13  VAL1930          HG13      VAL1930   7.330   9.366  -4.756
  272   HG21  VAL1930          HG21      VAL1930   6.612   8.599  -1.831
  273   HG22  VAL1930          HG22      VAL1930   7.581   7.575  -2.890
  274   HG23  VAL1930          HG23      VAL1930   8.221   8.082  -1.326
  275    HA   PRO1931           HA       PRO1931  11.997  12.161  -5.372
  276    HB2  PRO1931           HB2      PRO1931  11.012  12.134  -7.936
  277    HB3  PRO1931           HB3      PRO1931  12.361  11.139  -7.377
  278    HG2  PRO1931           HG2      PRO1931   9.489  10.410  -7.748
  279    HG3  PRO1931           HG3      PRO1931  10.945   9.463  -8.104
  280    HD2  PRO1931           HD2      PRO1931   9.438   9.028  -5.908
  281    HD3  PRO1931           HD3      PRO1931  11.198   8.790  -5.908
  282    H    ARG1932           H        ARG1932  11.440  14.193  -6.613
  283    HA   ARG1932           HA       ARG1932   9.725  15.839  -5.377
  284    HB2  ARG1932           HB2      ARG1932  11.307  16.598  -7.049
  285    HB3  ARG1932           HB3      ARG1932  10.369  15.837  -8.324
  286    HG2  ARG1932           HG2      ARG1932   9.932  18.158  -8.416
  287    HG3  ARG1932           HG3      ARG1932   8.492  17.386  -7.752
  288    HD2  ARG1932           HD2      ARG1932   9.229  17.998  -5.489
  289    HD3  ARG1932           HD3      ARG1932  10.641  18.802  -6.178
  290    HE   ARG1932           HE       ARG1932   7.953  19.665  -6.993
  291   HH11  ARG1932          HH12      ARG1932  10.968  20.320  -5.322
  292   HH12  ARG1932          HH11      ARG1932  10.655  22.027  -5.163
  293   HH21  ARG1932          HH22      ARG1932   7.544  21.907  -6.798
  294   HH22  ARG1932          HH21      ARG1932   8.720  22.935  -6.019
  295    H    ARG1933           H        ARG1933   8.818  13.727  -8.037
  296    HA   ARG1933           HA       ARG1933   6.036  13.921  -7.201
  297    HB2  ARG1933           HB2      ARG1933   5.293  14.122  -9.583
  298    HB3  ARG1933           HB3      ARG1933   6.109  15.556  -8.977
  299    HG2  ARG1933           HG2      ARG1933   8.145  14.920 -10.130
  300    HG3  ARG1933           HG3      ARG1933   7.381  13.430 -10.690
  301    HD2  ARG1933           HD2      ARG1933   7.380  15.117 -12.445
  302    HD3  ARG1933           HD3      ARG1933   5.734  14.744 -11.934
  303    HE   ARG1933           HE       ARG1933   7.204  17.161 -11.073
  304   HH11  ARG1933          HH12      ARG1933   4.283  15.535 -12.099
  305   HH12  ARG1933          HH11      ARG1933   3.288  16.951 -11.972
  306   HH21  ARG1933          HH22      ARG1933   5.912  19.048 -10.946
  307   HH22  ARG1933          HH21      ARG1933   4.223  18.963 -11.347
  308    H    MET1934           H        MET1934   4.877  12.277  -9.058
  309    HA   MET1934           HA       MET1934   5.877   9.707  -8.427
  310    HB2  MET1934           HB2      MET1934   3.965  10.592 -10.596
  311    HB3  MET1934           HB3      MET1934   4.291   8.913 -10.201
  312    HG2  MET1934           HG2      MET1934   3.362  10.762  -8.061
  313    HG3  MET1934           HG3      MET1934   2.205  10.142  -9.234
  314    HE1  MET1934           HE1      MET1934   4.415   7.644  -6.034
  315    HE2  MET1934           HE2      MET1934   5.344   8.406  -7.329
  316    HE3  MET1934           HE3      MET1934   4.457   9.406  -6.177
  317    H    ALA1935           H        ALA1935   6.363  11.921 -11.038
  318    HA   ALA1935           HA       ALA1935   7.935  12.115 -12.639
  319    HB1  ALA1935           HB1      ALA1935   9.435  11.869 -10.711
  320    HB2  ALA1935           HB2      ALA1935   9.449  10.120 -10.956
  321    HB3  ALA1935           HB3      ALA1935  10.135  11.186 -12.182
  322    H    MET   1           H1       MET   1   2.979  -5.809 -20.072
  323    HA   MET   1           HA       MET   1   0.404  -4.900 -18.931
  324    HB2  MET   1           HB2      MET   1   2.779  -6.265 -17.645
  325    HB3  MET   1           HB3      MET   1   1.474  -5.505 -16.749
  326    HG2  MET   1           HG2      MET   1   1.158  -7.820 -18.644
  327    HG3  MET   1           HG3      MET   1   1.247  -7.942 -16.888
  328    HE1  MET   1           HE1      MET   1  -1.108  -9.209 -18.585
  329    HE2  MET   1           HE2      MET   1  -1.029  -9.296 -16.826
  330    HE3  MET   1           HE3      MET   1  -2.510  -8.755 -17.615
  331    H    ALA   2           H        ALA   2   0.759  -3.230 -17.267
  332    HA   ALA   2           HA       ALA   2   2.791  -1.297 -18.009
  333    HB1  ALA   2           HB1      ALA   2   1.795   0.086 -16.246
  334    HB2  ALA   2           HB2      ALA   2   0.556  -0.533 -17.338
  335    HB3  ALA   2           HB3      ALA   2   0.781  -1.269 -15.751
  336    H    CYS   3           H        CYS   3   4.109  -0.338 -16.059
  337    HA   CYS   3           HA       CYS   3   5.618  -2.408 -14.842
  338    HB2  CYS   3           HB2      CYS   3   5.495   0.531 -14.125
  339    HB3  CYS   3           HB3      CYS   3   6.760  -0.600 -13.651
  340    HG   CYS   3           HG       CYS   3   7.074   1.377 -15.988
  341    HA   PRO   4           HA       PRO   4   2.189  -3.324 -12.176
  342    HB2  PRO   4           HB2      PRO   4   4.220  -5.100 -10.924
  343    HB3  PRO   4           HB3      PRO   4   2.610  -5.499 -11.549
  344    HG2  PRO   4           HG2      PRO   4   4.746  -6.211 -12.925
  345    HG3  PRO   4           HG3      PRO   4   3.352  -5.517 -13.773
  346    HD2  PRO   4           HD2      PRO   4   5.926  -4.203 -12.977
  347    HD3  PRO   4           HD3      PRO   4   5.040  -4.097 -14.515
  348    H    LEU   5           H        LEU   5   5.277  -3.567 -10.382
  349    HA   LEU   5           HA       LEU   5   4.057  -2.709  -7.967
  350    HB2  LEU   5           HB2      LEU   5   6.420  -3.950  -8.663
  351    HB3  LEU   5           HB3      LEU   5   6.958  -2.378  -8.107
  352    HG   LEU   5           HG       LEU   5   6.985  -4.106  -6.333
  353   HD11  LEU   5          HD11      LEU   5   5.839  -2.789  -4.622
  354   HD12  LEU   5          HD12      LEU   5   6.801  -1.785  -5.706
  355   HD13  LEU   5          HD13      LEU   5   5.050  -1.850  -5.890
  356   HD21  LEU   5          HD21      LEU   5   5.054  -5.404  -7.070
  357   HD22  LEU   5          HD22      LEU   5   4.890  -4.901  -5.387
  358   HD23  LEU   5          HD23      LEU   5   3.990  -4.062  -6.650
  359    H    GLU   6           H        GLU   6   5.589  -1.053 -10.594
  360    HA   GLU   6           HA       GLU   6   6.167   1.364  -9.272
  361    HB2  GLU   6           HB2      GLU   6   7.099   0.819 -11.486
  362    HB3  GLU   6           HB3      GLU   6   5.489   0.928 -12.184
  363    HG2  GLU   6           HG2      GLU   6   5.404   3.305 -11.499
  364    HG3  GLU   6           HG3      GLU   6   7.068   3.165 -10.937
  365    H    LYS   7           H        LYS   7   3.399   0.315 -11.211
  366    HA   LYS   7           HA       LYS   7   1.961   2.723 -10.916
  367    HB2  LYS   7           HB2      LYS   7   1.069  -0.057 -11.674
  368    HB3  LYS   7           HB3      LYS   7  -0.021   1.320 -11.639
  369    HG2  LYS   7           HG2      LYS   7   2.231   2.112 -13.131
  370    HG3  LYS   7           HG3      LYS   7   1.788   0.499 -13.688
  371    HD2  LYS   7           HD2      LYS   7   0.602   2.118 -15.007
  372    HD3  LYS   7           HD3      LYS   7  -0.552   1.295 -13.956
  373    HE2  LYS   7           HE2      LYS   7  -1.054   3.637 -13.952
  374    HE3  LYS   7           HE3      LYS   7  -0.394   3.206 -12.376
  375    HZ1  LYS   7           HZ1      LYS   7   1.820   3.995 -13.352
  376    HZ2  LYS   7           HZ2      LYS   7   0.677   5.169 -12.923
  377    HZ3  LYS   7           HZ3      LYS   7   0.878   4.741 -14.552
  378    H    ALA   8           H        ALA   8   2.244  -0.110  -8.904
  379    HA   ALA   8           HA       ALA   8  -0.025  -0.010  -7.358
  380    HB1  ALA   8           HB1      ALA   8   1.281  -0.994  -5.557
  381    HB2  ALA   8           HB2      ALA   8   1.693  -1.717  -7.111
  382    HB3  ALA   8           HB3      ALA   8   2.772  -0.533  -6.378
  383    H    LEU   9           H        LEU   9   2.981   1.828  -6.714
  384    HA   LEU   9           HA       LEU   9   1.709   3.302  -4.589
  385    HB2  LEU   9           HB2      LEU   9   4.324   3.922  -5.969
  386    HB3  LEU   9           HB3      LEU   9   3.765   4.588  -4.449
  387    HG   LEU   9           HG       LEU   9   5.282   3.001  -3.752
  388   HD11  LEU   9          HD11      LEU   9   3.184   2.675  -2.616
  389   HD12  LEU   9          HD12      LEU   9   2.654   1.546  -3.863
  390   HD13  LEU   9          HD13      LEU   9   4.015   1.132  -2.819
  391   HD21  LEU   9          HD21      LEU   9   4.226   1.096  -5.830
  392   HD22  LEU   9          HD22      LEU   9   5.731   2.013  -5.939
  393   HD23  LEU   9          HD23      LEU   9   5.535   0.774  -4.695
  394    H    ASP  10           H        ASP  10   2.559   3.863  -7.927
  395    HA   ASP  10           HA       ASP  10   2.079   6.585  -8.155
  396    HB2  ASP  10           HB2      ASP  10   3.107   5.344  -9.945
  397    HB3  ASP  10           HB3      ASP  10   1.679   4.337 -10.137
  398    H    VAL  11           H        VAL  11  -0.191   3.889  -8.540
  399    HA   VAL  11           HA       VAL  11  -2.336   5.590  -9.328
  400    HB   VAL  11           HB       VAL  11  -3.727   3.643  -9.323
  401   HG11  VAL  11          HG11      VAL  11  -2.152   3.922 -11.160
  402   HG12  VAL  11          HG12      VAL  11  -0.953   2.969 -10.285
  403   HG13  VAL  11          HG13      VAL  11  -2.453   2.216 -10.831
  404   HG21  VAL  11          HG21      VAL  11  -3.049   2.663  -7.204
  405   HG22  VAL  11          HG22      VAL  11  -2.937   1.472  -8.501
  406   HG23  VAL  11          HG23      VAL  11  -1.476   2.244  -7.884
  407    H    MET  12           H        MET  12  -1.197   4.412  -6.242
  408    HA   MET  12           HA       MET  12  -3.532   4.680  -4.734
  409    HB2  MET  12           HB2      MET  12  -0.678   5.259  -3.933
  410    HB3  MET  12           HB3      MET  12  -2.023   5.252  -2.806
  411    HG2  MET  12           HG2      MET  12  -2.425   2.852  -3.663
  412    HG3  MET  12           HG3      MET  12  -0.773   2.971  -4.265
  413    HE1  MET  12           HE1      MET  12  -0.082   0.941  -2.903
  414    HE2  MET  12           HE2      MET  12  -0.131   0.816  -1.140
  415    HE3  MET  12           HE3      MET  12  -1.626   0.720  -2.072
  416    H    VAL  13           H        VAL  13  -1.096   7.091  -5.604
  417    HA   VAL  13           HA       VAL  13  -2.736   9.188  -4.436
  418    HB   VAL  13           HB       VAL  13  -0.895  10.691  -4.874
  419   HG11  VAL  13          HG11      VAL  13  -0.819   9.377  -2.834
  420   HG12  VAL  13          HG12      VAL  13   0.044   8.090  -3.679
  421   HG13  VAL  13          HG13      VAL  13   0.810   9.665  -3.454
  422   HG21  VAL  13          HG21      VAL  13   0.461   8.357  -6.199
  423   HG22  VAL  13          HG22      VAL  13  -0.124   9.822  -6.993
  424   HG23  VAL  13          HG23      VAL  13   1.204   9.918  -5.834
  425    H    SER  14           H        SER  14  -2.154   7.781  -7.512
  426    HA   SER  14           HA       SER  14  -2.899  10.077  -9.074
  427    HB2  SER  14           HB2      SER  14  -1.426   8.372 -10.013
  428    HB3  SER  14           HB3      SER  14  -2.682   7.152  -9.817
  429    HG   SER  14           HG       SER  14  -2.346   8.297 -11.967
  430    H    THR  15           H        THR  15  -4.474   6.913  -8.584
  431    HA   THR  15           HA       THR  15  -6.994   7.631  -9.579
  432    HB   THR  15           HB       THR  15  -6.238   5.518  -7.547
  433    HG1  THR  15           HG1      THR  15  -6.772   4.363  -9.794
  434   HG21  THR  15          HG21      THR  15  -8.324   4.410  -8.127
  435   HG22  THR  15          HG22      THR  15  -8.745   5.734  -9.216
  436   HG23  THR  15          HG23      THR  15  -8.646   6.017  -7.477
  437    H    PHE  16           H        PHE  16  -5.455   8.057  -6.535
  438    HA   PHE  16           HA       PHE  16  -7.352   8.659  -4.705
  439    HB2  PHE  16           HB2      PHE  16  -4.681   8.948  -4.893
  440    HB3  PHE  16           HB3      PHE  16  -5.150  10.630  -5.038
  441    HD1  PHE  16           HD2      PHE  16  -6.989   8.243  -2.910
  442    HD2  PHE  16           HD1      PHE  16  -4.051  11.312  -3.079
  443    HE1  PHE  16           HE2      PHE  16  -7.040   8.423  -0.465
  444    HE2  PHE  16           HE1      PHE  16  -4.088  11.485  -0.631
  445    HZ   PHE  16           HZ       PHE  16  -5.588  10.040   0.678
  446    H    HIS  17           H        HIS  17  -5.934  11.086  -6.900
  447    HA   HIS  17           HA       HIS  17  -7.475  13.268  -6.303
  448    HB2  HIS  17           HB2      HIS  17  -6.159  12.400  -8.855
  449    HB3  HIS  17           HB3      HIS  17  -7.094  13.887  -8.798
  450    HD1  HIS  17           HD1      HIS  17  -5.867  15.916  -8.106
  451    HD2  HIS  17           HD2      HIS  17  -3.899  12.440  -6.945
  452    HE1  HIS  17           HE1      HIS  17  -3.645  16.663  -7.188
  453    HE2  HIS  17           HE2      HIS  17  -2.402  14.527  -6.707
  454    H    LYS  18           H        LYS  18  -8.374  10.567  -8.365
  455    HA   LYS  18           HA       LYS  18 -10.351  11.792  -9.906
  456    HB2  LYS  18           HB2      LYS  18 -10.358   8.934  -8.944
  457    HB3  LYS  18           HB3      LYS  18 -11.225   9.567 -10.329
  458    HG2  LYS  18           HG2      LYS  18  -9.091  10.023 -11.444
  459    HG3  LYS  18           HG3      LYS  18  -8.235   9.362 -10.047
  460    HD2  LYS  18           HD2      LYS  18  -9.417   7.219 -10.378
  461    HD3  LYS  18           HD3      LYS  18 -10.183   7.887 -11.819
  462    HE2  LYS  18           HE2      LYS  18  -7.966   8.211 -12.822
  463    HE3  LYS  18           HE3      LYS  18  -7.227   7.493 -11.391
  464    HZ1  LYS  18           HZ1      LYS  18  -9.117   6.137 -13.240
  465    HZ2  LYS  18           HZ2      LYS  18  -8.436   5.435 -11.855
  466    HZ3  LYS  18           HZ3      LYS  18  -7.444   5.873 -13.165
  467    H    TYR  19           H        TYR  19 -10.686  10.025  -6.832
  468    HA   TYR  19           HA       TYR  19 -13.560  10.568  -6.954
  469    HB2  TYR  19           HB2      TYR  19 -12.085   8.553  -5.255
  470    HB3  TYR  19           HB3      TYR  19 -13.833   8.694  -5.431
  471    HD1  TYR  19           HD1      TYR  19 -14.895   8.154  -7.621
  472    HD2  TYR  19           HD2      TYR  19 -10.771   7.425  -6.884
  473    HE1  TYR  19           HE1      TYR  19 -14.818   6.663  -9.578
  474    HE2  TYR  19           HE2      TYR  19 -10.677   5.935  -8.835
  475    HH   TYR  19           HH       TYR  19 -12.051   4.672 -10.260
  476    H    SER  20           H        SER  20 -10.778  10.945  -4.791
  477    HA   SER  20           HA       SER  20 -12.344  11.868  -2.595
  478    HB2  SER  20           HB2      SER  20 -10.126  12.634  -1.667
  479    HB3  SER  20           HB3      SER  20 -10.181  10.927  -2.135
  480    HG   SER  20           HG       SER  20  -8.966  11.345  -3.900
  481    H    GLY  21           H        GLY  21 -10.936  13.366  -5.390
  482    HA2  GLY  21           HA2      GLY  21 -11.298  16.052  -4.373
  483    HA3  GLY  21           HA3      GLY  21 -10.760  15.607  -5.986
  484    H    LYS  22           H        LYS  22 -13.557  13.963  -4.979
  485    HA   LYS  22           HA       LYS  22 -15.139  15.519  -6.866
  486    HB2  LYS  22           HB2      LYS  22 -15.225  13.122  -7.144
  487    HB3  LYS  22           HB3      LYS  22 -15.687  12.899  -5.464
  488    HG2  LYS  22           HG2      LYS  22 -17.826  13.887  -5.846
  489    HG3  LYS  22           HG3      LYS  22 -17.362  14.380  -7.475
  490    HD2  LYS  22           HD2      LYS  22 -17.487  11.507  -6.569
  491    HD3  LYS  22           HD3      LYS  22 -18.829  12.344  -7.353
  492    HE2  LYS  22           HE2      LYS  22 -17.248  12.845  -9.253
  493    HE3  LYS  22           HE3      LYS  22 -16.105  11.742  -8.489
  494    HZ1  LYS  22           HZ1      LYS  22 -17.817   9.991  -8.646
  495    HZ2  LYS  22           HZ2      LYS  22 -17.342  10.583 -10.163
  496    HZ3  LYS  22           HZ3      LYS  22 -18.820  11.067  -9.491
  497    H    GLU  23           H        GLU  23 -15.489  14.305  -3.516
  498    HA   GLU  23           HA       GLU  23 -17.478  16.426  -3.078
  499    HB2  GLU  23           HB2      GLU  23 -16.847  13.946  -1.474
  500    HB3  GLU  23           HB3      GLU  23 -17.984  15.185  -0.960
  501    HG2  GLU  23           HG2      GLU  23 -19.307  14.763  -2.999
  502    HG3  GLU  23           HG3      GLU  23 -18.200  13.452  -3.408
  503    H    GLY  24           H        GLY  24 -14.552  14.999  -1.649
  504    HA2  GLY  24           HA2      GLY  24 -14.309  17.434   0.009
  505    HA3  GLY  24           HA3      GLY  24 -13.591  15.877   0.397
  506    H    ASP  25           H        ASP  25 -11.489  16.230   0.425
  507    HA   ASP  25           HA       ASP  25 -10.254  17.774  -1.739
  508    HB2  ASP  25           HB2      ASP  25  -9.158  16.877   0.936
  509    HB3  ASP  25           HB3      ASP  25  -8.217  17.729  -0.286
  510    H    LYS  26           H        LYS  26  -8.469  16.913  -2.872
  511    HA   LYS  26           HA       LYS  26  -8.837  14.227  -3.641
  512    HB2  LYS  26           HB2      LYS  26  -7.137  14.554  -5.251
  513    HB3  LYS  26           HB3      LYS  26  -8.011  16.067  -5.127
  514    HG2  LYS  26           HG2      LYS  26  -5.402  15.541  -3.720
  515    HG3  LYS  26           HG3      LYS  26  -5.510  16.237  -5.332
  516    HD2  LYS  26           HD2      LYS  26  -6.656  17.424  -2.804
  517    HD3  LYS  26           HD3      LYS  26  -5.202  17.963  -3.640
  518    HE2  LYS  26           HE2      LYS  26  -6.608  18.415  -5.647
  519    HE3  LYS  26           HE3      LYS  26  -8.030  18.052  -4.673
  520    HZ1  LYS  26           HZ1      LYS  26  -7.683  20.405  -4.729
  521    HZ2  LYS  26           HZ2      LYS  26  -6.081  20.238  -4.200
  522    HZ3  LYS  26           HZ3      LYS  26  -7.361  19.856  -3.158
  523    H    PHE  27           H        PHE  27  -7.807  14.758  -0.797
  524    HA   PHE  27           HA       PHE  27  -5.834  12.599  -0.926
  525    HB2  PHE  27           HB2      PHE  27  -4.702  13.594   1.077
  526    HB3  PHE  27           HB3      PHE  27  -4.521  14.517  -0.409
  527    HD1  PHE  27           HD2      PHE  27  -6.784  14.333   2.567
  528    HD2  PHE  27           HD1      PHE  27  -4.790  16.778  -0.311
  529    HE1  PHE  27           HE2      PHE  27  -7.567  16.359   3.738
  530    HE2  PHE  27           HE1      PHE  27  -5.585  18.798   0.856
  531    HZ   PHE  27           HZ       PHE  27  -6.971  18.589   2.882
  532    H    LYS  28           H        LYS  28  -8.851  13.154  -0.177
  533    HA   LYS  28           HA       LYS  28  -8.855  11.139   1.892
  534    HB2  LYS  28           HB2      LYS  28 -10.196  12.411   3.473
  535    HB3  LYS  28           HB3      LYS  28  -8.642  13.188   3.206
  536    HG2  LYS  28           HG2      LYS  28  -9.738  14.756   1.646
  537    HG3  LYS  28           HG3      LYS  28 -11.293  14.017   2.050
  538    HD2  LYS  28           HD2      LYS  28 -10.825  14.554   4.442
  539    HD3  LYS  28           HD3      LYS  28  -9.408  15.442   3.884
  540    HE2  LYS  28           HE2      LYS  28 -10.759  16.979   2.659
  541    HE3  LYS  28           HE3      LYS  28 -12.207  16.020   2.959
  542    HZ1  LYS  28           HZ1      LYS  28 -12.069  16.532   5.285
  543    HZ2  LYS  28           HZ2      LYS  28 -12.040  17.981   4.401
  544    HZ3  LYS  28           HZ3      LYS  28 -10.609  17.367   5.066
  545    H    LEU  29           H        LEU  29 -10.519   9.842   1.714
  546    HA   LEU  29           HA       LEU  29 -12.696  10.643  -0.115
  547    HB2  LEU  29           HB2      LEU  29 -11.604   7.864   0.359
  548    HB3  LEU  29           HB3      LEU  29 -12.951   8.257  -0.687
  549    HG   LEU  29           HG       LEU  29 -11.220   9.732  -1.957
  550   HD11  LEU  29          HD11      LEU  29  -9.392   7.806  -0.519
  551   HD12  LEU  29          HD12      LEU  29  -8.935   8.845  -1.866
  552   HD13  LEU  29          HD13      LEU  29  -9.420   9.558  -0.329
  553   HD21  LEU  29          HD21      LEU  29 -10.610   7.818  -3.347
  554   HD22  LEU  29          HD22      LEU  29 -11.131   6.721  -2.069
  555   HD23  LEU  29          HD23      LEU  29 -12.310   7.757  -2.874
  556    H    ASN  30           H        ASN  30 -14.678  10.723   0.730
  557    HA   ASN  30           HA       ASN  30 -15.210   9.488   3.308
  558    HB2  ASN  30           HB2      ASN  30 -17.180  10.718   3.379
  559    HB3  ASN  30           HB3      ASN  30 -16.162  11.758   2.396
  560   HD21  ASN  30          HD21      ASN  30 -16.547  11.879   0.161
  561   HD22  ASN  30          HD22      ASN  30 -18.092  11.433  -0.510
  562    H    LYS  31           H        LYS  31 -17.640   8.429   3.251
  563    HA   LYS  31           HA       LYS  31 -17.362   5.853   2.386
  564    HB2  LYS  31           HB2      LYS  31 -20.031   7.256   2.381
  565    HB3  LYS  31           HB3      LYS  31 -19.716   5.555   2.680
  566    HG2  LYS  31           HG2      LYS  31 -18.619   6.110   4.779
  567    HG3  LYS  31           HG3      LYS  31 -18.892   7.829   4.471
  568    HD2  LYS  31           HD2      LYS  31 -21.375   7.181   4.276
  569    HD3  LYS  31           HD3      LYS  31 -20.897   5.682   5.074
  570    HE2  LYS  31           HE2      LYS  31 -20.425   8.458   6.161
  571    HE3  LYS  31           HE3      LYS  31 -21.737   7.389   6.650
  572    HZ1  LYS  31           HZ1      LYS  31 -18.870   6.691   6.911
  573    HZ2  LYS  31           HZ2      LYS  31 -20.191   5.854   7.555
  574    HZ3  LYS  31           HZ3      LYS  31 -19.782   7.384   8.155
  575    H    SER  32           H        SER  32 -19.096   8.415   0.617
  576    HA   SER  32           HA       SER  32 -19.885   6.729  -1.511
  577    HB2  SER  32           HB2      SER  32 -20.998   8.882  -0.842
  578    HB3  SER  32           HB3      SER  32 -19.645   9.743  -1.574
  579    HG   SER  32           HG       SER  32 -20.211   8.929  -3.570
  580    H    GLU  33           H        GLU  33 -17.043   8.712  -0.980
  581    HA   GLU  33           HA       GLU  33 -16.230   8.717  -3.730
  582    HB2  GLU  33           HB2      GLU  33 -14.792   9.475  -1.177
  583    HB3  GLU  33           HB3      GLU  33 -14.119   9.693  -2.795
  584    HG2  GLU  33           HG2      GLU  33 -15.805  11.254  -3.391
  585    HG3  GLU  33           HG3      GLU  33 -16.745  10.889  -1.949
  586    H    LEU  34           H        LEU  34 -15.421   6.935  -0.813
  587    HA   LEU  34           HA       LEU  34 -13.413   5.304  -1.959
  588    HB2  LEU  34           HB2      LEU  34 -15.121   5.210   0.470
  589    HB3  LEU  34           HB3      LEU  34 -14.326   3.726  -0.026
  590    HG   LEU  34           HG       LEU  34 -12.852   6.313   0.429
  591   HD11  LEU  34          HD11      LEU  34 -12.154   5.278   2.571
  592   HD12  LEU  34          HD12      LEU  34 -13.867   5.710   2.499
  593   HD13  LEU  34          HD13      LEU  34 -13.371   4.024   2.316
  594   HD21  LEU  34          HD21      LEU  34 -10.909   4.852   0.509
  595   HD22  LEU  34          HD22      LEU  34 -11.938   3.448   0.217
  596   HD23  LEU  34          HD23      LEU  34 -11.766   4.689  -1.024
  597    H    LYS  35           H        LYS  35 -16.926   4.946  -1.666
  598    HA   LYS  35           HA       LYS  35 -17.046   2.311  -2.593
  599    HB2  LYS  35           HB2      LYS  35 -18.950   3.608  -1.554
  600    HB3  LYS  35           HB3      LYS  35 -19.153   4.419  -3.103
  601    HG2  LYS  35           HG2      LYS  35 -19.893   2.500  -4.164
  602    HG3  LYS  35           HG3      LYS  35 -19.175   1.435  -2.955
  603    HD2  LYS  35           HD2      LYS  35 -21.518   1.385  -2.615
  604    HD3  LYS  35           HD3      LYS  35 -20.844   2.354  -1.308
  605    HE2  LYS  35           HE2      LYS  35 -21.401   4.388  -2.642
  606    HE3  LYS  35           HE3      LYS  35 -22.215   3.325  -3.794
  607    HZ1  LYS  35           HZ1      LYS  35 -22.924   3.441  -0.917
  608    HZ2  LYS  35           HZ2      LYS  35 -23.788   2.691  -2.173
  609    HZ3  LYS  35           HZ3      LYS  35 -23.691   4.382  -2.102
  610    H    GLU  36           H        GLU  36 -17.266   5.358  -4.429
  611    HA   GLU  36           HA       GLU  36 -17.406   4.165  -6.959
  612    HB2  GLU  36           HB2      GLU  36 -16.745   6.829  -5.933
  613    HB3  GLU  36           HB3      GLU  36 -15.976   6.431  -7.463
  614    HG2  GLU  36           HG2      GLU  36 -18.207   5.812  -8.351
  615    HG3  GLU  36           HG3      GLU  36 -18.918   6.428  -6.856
  616    H    LEU  37           H        LEU  37 -14.575   5.097  -5.033
  617    HA   LEU  37           HA       LEU  37 -12.511   4.448  -6.751
  618    HB2  LEU  37           HB2      LEU  37 -12.324   5.362  -4.420
  619    HB3  LEU  37           HB3      LEU  37 -12.630   3.742  -3.821
  620    HG   LEU  37           HG       LEU  37 -10.551   3.138  -5.324
  621   HD11  LEU  37          HD11      LEU  37  -8.890   4.909  -5.373
  622   HD12  LEU  37          HD12      LEU  37 -10.322   5.377  -6.290
  623   HD13  LEU  37          HD13      LEU  37 -10.049   6.041  -4.680
  624   HD21  LEU  37          HD21      LEU  37 -10.694   2.808  -2.927
  625   HD22  LEU  37          HD22      LEU  37  -9.122   3.476  -3.366
  626   HD23  LEU  37          HD23      LEU  37 -10.354   4.516  -2.653
  627    H    LEU  38           H        LEU  38 -14.029   2.268  -4.397
  628    HA   LEU  38           HA       LEU  38 -12.651  -0.008  -5.352
  629    HB2  LEU  38           HB2      LEU  38 -14.948   0.369  -3.466
  630    HB3  LEU  38           HB3      LEU  38 -14.399  -1.232  -3.920
  631    HG   LEU  38           HG       LEU  38 -12.078   0.128  -3.151
  632   HD11  LEU  38          HD11      LEU  38 -12.614   0.889  -0.881
  633   HD12  LEU  38          HD12      LEU  38 -13.381   1.879  -2.121
  634   HD13  LEU  38          HD13      LEU  38 -14.329   0.686  -1.233
  635   HD21  LEU  38          HD21      LEU  38 -12.095  -1.449  -1.284
  636   HD22  LEU  38          HD22      LEU  38 -13.788  -1.817  -1.612
  637   HD23  LEU  38          HD23      LEU  38 -12.549  -2.229  -2.799
  638    H    THR  39           H        THR  39 -15.911   1.233  -6.013
  639    HA   THR  39           HA       THR  39 -16.879  -1.096  -7.286
  640    HB   THR  39           HB       THR  39 -18.509   0.448  -8.441
  641    HG1  THR  39           HG1      THR  39 -17.398   2.460  -6.782
  642   HG21  THR  39          HG21      THR  39 -19.717   1.036  -6.402
  643   HG22  THR  39          HG22      THR  39 -18.256   0.767  -5.452
  644   HG23  THR  39          HG23      THR  39 -19.030  -0.584  -6.281
  645    H    ARG  40           H        ARG  40 -15.018   1.617  -8.431
  646    HA   ARG  40           HA       ARG  40 -15.314   0.867 -11.201
  647    HB2  ARG  40           HB2      ARG  40 -13.715   3.025  -9.829
  648    HB3  ARG  40           HB3      ARG  40 -13.756   2.801 -11.572
  649    HG2  ARG  40           HG2      ARG  40 -16.164   3.362  -9.850
  650    HG3  ARG  40           HG3      ARG  40 -15.278   4.572 -10.780
  651    HD2  ARG  40           HD2      ARG  40 -16.624   2.139 -11.943
  652    HD3  ARG  40           HD3      ARG  40 -17.319   3.760 -11.921
  653    HE   ARG  40           HE       ARG  40 -15.367   4.442 -13.303
  654   HH11  ARG  40          HH12      ARG  40 -16.404   1.097 -13.260
  655   HH12  ARG  40          HH11      ARG  40 -15.695   0.730 -14.806
  656   HH21  ARG  40          HH22      ARG  40 -14.472   3.982 -15.339
  657   HH22  ARG  40          HH21      ARG  40 -14.599   2.374 -16.002
  658    H    GLU  41           H        GLU  41 -12.510   1.216  -8.994
  659    HA   GLU  41           HA       GLU  41 -10.976  -0.306 -10.963
  660    HB2  GLU  41           HB2      GLU  41 -10.238   1.781  -8.969
  661    HB3  GLU  41           HB3      GLU  41  -9.011   0.658  -9.546
  662    HG2  GLU  41           HG2      GLU  41  -9.326   1.340 -11.791
  663    HG3  GLU  41           HG3      GLU  41 -10.747   2.290 -11.379
  664    H    LEU  42           H        LEU  42 -12.404  -0.859  -7.944
  665    HA   LEU  42           HA       LEU  42 -10.561  -3.138  -7.551
  666    HB2  LEU  42           HB2      LEU  42 -12.010  -1.649  -5.356
  667    HB3  LEU  42           HB3      LEU  42 -10.939  -3.019  -5.142
  668    HG   LEU  42           HG       LEU  42  -9.118  -1.498  -6.155
  669   HD11  LEU  42          HD11      LEU  42 -11.393   0.314  -6.063
  670   HD12  LEU  42          HD12      LEU  42 -10.003   0.941  -5.168
  671   HD13  LEU  42          HD13      LEU  42  -9.822   0.492  -6.871
  672   HD21  LEU  42          HD21      LEU  42  -8.636  -0.556  -3.954
  673   HD22  LEU  42          HD22      LEU  42 -10.287  -0.906  -3.439
  674   HD23  LEU  42          HD23      LEU  42  -9.184  -2.229  -3.827
  675    HA   PRO  43           HA       PRO  43 -15.265  -4.043  -7.919
  676    HB2  PRO  43           HB2      PRO  43 -14.606  -5.654 -10.285
  677    HB3  PRO  43           HB3      PRO  43 -15.816  -4.381 -10.095
  678    HG2  PRO  43           HG2      PRO  43 -13.592  -4.010 -11.553
  679    HG3  PRO  43           HG3      PRO  43 -14.321  -2.700 -10.603
  680    HD2  PRO  43           HD2      PRO  43 -11.949  -4.414  -9.959
  681    HD3  PRO  43           HD3      PRO  43 -12.169  -2.664  -9.740
  682    H    SER  44           H        SER  44 -12.533  -6.192  -8.532
  683    HA   SER  44           HA       SER  44 -13.904  -8.582  -7.878
  684    HB2  SER  44           HB2      SER  44 -11.441  -9.405  -7.608
  685    HB3  SER  44           HB3      SER  44 -12.021  -8.916  -9.202
  686    HG   SER  44           HG       SER  44 -10.601  -7.379  -9.208
  687    H    PHE  45           H        PHE  45 -12.616  -6.052  -6.012
  688    HA   PHE  45           HA       PHE  45 -12.416  -7.696  -3.605
  689    HB2  PHE  45           HB2      PHE  45 -11.827  -4.752  -3.973
  690    HB3  PHE  45           HB3      PHE  45 -11.435  -5.727  -2.561
  691    HD1  PHE  45           HD2      PHE  45  -9.864  -7.732  -2.938
  692    HD2  PHE  45           HD1      PHE  45 -10.279  -4.500  -5.675
  693    HE1  PHE  45           HE2      PHE  45  -7.688  -8.299  -3.935
  694    HE2  PHE  45           HE1      PHE  45  -8.106  -5.063  -6.678
  695    HZ   PHE  45           HZ       PHE  45  -6.806  -6.964  -5.807
  696    H    LEU  46           H        LEU  46 -14.882  -6.533  -5.212
  697    HA   LEU  46           HA       LEU  46 -16.308  -5.699  -2.772
  698    HB2  LEU  46           HB2      LEU  46 -16.891  -4.893  -5.614
  699    HB3  LEU  46           HB3      LEU  46 -17.868  -4.465  -4.215
  700    HG   LEU  46           HG       LEU  46 -15.072  -3.540  -4.855
  701   HD11  LEU  46          HD11      LEU  46 -17.686  -2.101  -4.453
  702   HD12  LEU  46          HD12      LEU  46 -16.130  -1.340  -4.782
  703   HD13  LEU  46          HD13      LEU  46 -16.879  -2.381  -5.994
  704   HD21  LEU  46          HD21      LEU  46 -15.159  -2.301  -2.739
  705   HD22  LEU  46          HD22      LEU  46 -16.674  -3.109  -2.332
  706   HD23  LEU  46          HD23      LEU  46 -15.186  -4.044  -2.472
  707    H    GLY  47           H        GLY  47 -16.025  -8.082  -5.103
  708    HA2  GLY  47           HA2      GLY  47 -17.242  -9.981  -5.519
  709    HA3  GLY  47           HA3      GLY  47 -18.154  -9.610  -4.065
  710    H    LYS  48           H        LYS  48 -18.162  -7.136  -6.406
  711    HA   LYS  48           HA       LYS  48 -19.676  -6.330  -7.897
  712    HB2  LYS  48           HB2      LYS  48 -19.269  -8.602  -8.928
  713    HB3  LYS  48           HB3      LYS  48 -20.714  -9.162  -8.105
  714    HG2  LYS  48           HG2      LYS  48 -21.339  -8.677 -10.326
  715    HG3  LYS  48           HG3      LYS  48 -21.983  -7.373  -9.329
  716    HD2  LYS  48           HD2      LYS  48 -21.083  -6.195 -11.088
  717    HD3  LYS  48           HD3      LYS  48 -19.740  -6.185  -9.947
  718    HE2  LYS  48           HE2      LYS  48 -20.071  -8.110 -12.248
  719    HE3  LYS  48           HE3      LYS  48 -19.024  -6.694 -12.248
  720    HZ1  LYS  48           HZ1      LYS  48 -17.648  -8.499 -11.756
  721    HZ2  LYS  48           HZ2      LYS  48 -18.744  -9.176 -10.654
  722    HZ3  LYS  48           HZ3      LYS  48 -17.909  -7.752 -10.258
  723    H    ARG  49           H        ARG  49 -20.404  -7.013  -4.915
  724    HA   ARG  49           HA       ARG  49 -23.245  -6.366  -5.185
  725    HB2  ARG  49           HB2      ARG  49 -23.836  -8.070  -3.525
  726    HB3  ARG  49           HB3      ARG  49 -23.108  -8.775  -4.962
  727    HG2  ARG  49           HG2      ARG  49 -20.962  -8.935  -3.774
  728    HG3  ARG  49           HG3      ARG  49 -21.749  -8.315  -2.321
  729    HD2  ARG  49           HD2      ARG  49 -21.598 -10.734  -2.238
  730    HD3  ARG  49           HD3      ARG  49 -23.282 -10.223  -2.347
  731    HE   ARG  49           HE       ARG  49 -22.226 -10.747  -4.924
  732   HH11  ARG  49          HH12      ARG  49 -23.396 -12.330  -2.038
  733   HH12  ARG  49          HH11      ARG  49 -23.864 -13.782  -2.866
  734   HH21  ARG  49          HH22      ARG  49 -22.821 -12.659  -6.025
  735   HH22  ARG  49          HH21      ARG  49 -23.536 -13.975  -5.144
  736    H    THR  50           H        THR  50 -21.160  -4.629  -4.485
  737    HA   THR  50           HA       THR  50 -21.158  -4.425  -1.601
  738    HB   THR  50           HB       THR  50 -19.890  -2.190  -2.451
  739    HG1  THR  50           HG1      THR  50 -19.111  -2.481  -4.420
  740   HG21  THR  50          HG21      THR  50 -17.834  -3.479  -2.066
  741   HG22  THR  50          HG22      THR  50 -18.749  -4.980  -2.193
  742   HG23  THR  50          HG23      THR  50 -19.065  -3.865  -0.863
  743    H    ASP  51           H        ASP  51 -22.767  -3.556  -0.634
  744    HA   ASP  51           HA       ASP  51 -23.818  -0.984  -1.628
  745    HB2  ASP  51           HB2      ASP  51 -25.019  -2.931   0.370
  746    HB3  ASP  51           HB3      ASP  51 -25.717  -1.374  -0.062
  747    H    GLU  52           H        GLU  52 -24.820  -0.164   0.903
  748    HA   GLU  52           HA       GLU  52 -22.481   0.975   2.038
  749    HB2  GLU  52           HB2      GLU  52 -25.320   0.859   3.067
  750    HB3  GLU  52           HB3      GLU  52 -24.049   1.871   3.741
  751    HG2  GLU  52           HG2      GLU  52 -24.976   2.038   0.888
  752    HG3  GLU  52           HG3      GLU  52 -25.621   3.037   2.193
  753    H    ALA  53           H        ALA  53 -23.989  -2.022   2.461
  754    HA   ALA  53           HA       ALA  53 -23.392  -2.472   5.206
  755    HB1  ALA  53           HB1      ALA  53 -25.139  -3.711   4.016
  756    HB2  ALA  53           HB2      ALA  53 -23.906  -4.478   3.014
  757    HB3  ALA  53           HB3      ALA  53 -23.952  -4.792   4.748
  758    H    ALA  54           H        ALA  54 -21.839  -3.643   2.195
  759    HA   ALA  54           HA       ALA  54 -19.686  -4.890   3.576
  760    HB1  ALA  54           HB1      ALA  54 -19.823  -4.050   0.674
  761    HB2  ALA  54           HB2      ALA  54 -18.658  -5.174   1.383
  762    HB3  ALA  54           HB3      ALA  54 -20.373  -5.594   1.321
  763    H    PHE  55           H        PHE  55 -20.315  -1.653   2.640
  764    HA   PHE  55           HA       PHE  55 -17.525  -0.876   2.765
  765    HB2  PHE  55           HB2      PHE  55 -20.064   0.483   2.005
  766    HB3  PHE  55           HB3      PHE  55 -18.707   1.479   2.527
  767    HD1  PHE  55           HD2      PHE  55 -19.855  -0.949   0.008
  768    HD2  PHE  55           HD1      PHE  55 -16.781   1.745   1.187
  769    HE1  PHE  55           HE2      PHE  55 -18.824  -1.157  -2.213
  770    HE2  PHE  55           HE1      PHE  55 -15.743   1.535  -1.032
  771    HZ   PHE  55           HZ       PHE  55 -16.764   0.081  -2.735
  772    H    GLN  56           H        GLN  56 -20.153  -1.149   4.915
  773    HA   GLN  56           HA       GLN  56 -19.651   0.935   6.705
  774    HB2  GLN  56           HB2      GLN  56 -21.670  -0.478   6.742
  775    HB3  GLN  56           HB3      GLN  56 -20.705  -1.830   7.317
  776    HG2  GLN  56           HG2      GLN  56 -20.228  -0.678   9.373
  777    HG3  GLN  56           HG3      GLN  56 -21.048   0.770   8.791
  778   HE21  GLN  56          HE21      GLN  56 -23.179  -0.768   7.523
  779   HE22  GLN  56          HE22      GLN  56 -24.202  -1.322   8.802
  780    H    LYS  57           H        LYS  57 -18.411  -2.407   6.741
  781    HA   LYS  57           HA       LYS  57 -16.777  -1.904   9.054
  782    HB2  LYS  57           HB2      LYS  57 -17.640  -4.123   8.769
  783    HB3  LYS  57           HB3      LYS  57 -16.971  -4.235   7.151
  784    HG2  LYS  57           HG2      LYS  57 -15.428  -5.466   8.250
  785    HG3  LYS  57           HG3      LYS  57 -14.698  -3.878   8.463
  786    HD2  LYS  57           HD2      LYS  57 -16.523  -5.177  10.480
  787    HD3  LYS  57           HD3      LYS  57 -14.765  -5.299  10.521
  788    HE2  LYS  57           HE2      LYS  57 -14.641  -2.832  10.673
  789    HE3  LYS  57           HE3      LYS  57 -16.403  -2.774  10.734
  790    HZ1  LYS  57           HZ1      LYS  57 -15.439  -2.667  12.950
  791    HZ2  LYS  57           HZ2      LYS  57 -14.644  -4.143  12.702
  792    HZ3  LYS  57           HZ3      LYS  57 -16.338  -4.093  12.762
  793    H    LEU  58           H        LEU  58 -16.396  -1.807   5.602
  794    HA   LEU  58           HA       LEU  58 -13.592  -1.810   5.436
  795    HB2  LEU  58           HB2      LEU  58 -14.911  -2.014   3.441
  796    HB3  LEU  58           HB3      LEU  58 -15.696  -0.475   3.737
  797    HG   LEU  58           HG       LEU  58 -13.685   0.734   3.236
  798   HD11  LEU  58          HD11      LEU  58 -12.055  -0.733   4.235
  799   HD12  LEU  58          HD12      LEU  58 -12.360  -1.967   3.013
  800   HD13  LEU  58          HD13      LEU  58 -11.625  -0.430   2.552
  801   HD21  LEU  58          HD21      LEU  58 -14.919   0.267   1.294
  802   HD22  LEU  58          HD22      LEU  58 -13.250  -0.121   0.887
  803   HD23  LEU  58          HD23      LEU  58 -14.393  -1.414   1.253
  804    H    MET  59           H        MET  59 -15.655   1.035   5.070
  805    HA   MET  59           HA       MET  59 -14.065   3.104   5.712
  806    HB2  MET  59           HB2      MET  59 -16.691   2.860   5.361
  807    HB3  MET  59           HB3      MET  59 -16.696   2.996   7.114
  808    HG2  MET  59           HG2      MET  59 -16.997   5.169   6.345
  809    HG3  MET  59           HG3      MET  59 -15.293   5.085   6.792
  810    HE1  MET  59           HE1      MET  59 -14.206   7.093   3.919
  811    HE2  MET  59           HE2      MET  59 -15.427   7.496   5.131
  812    HE3  MET  59           HE3      MET  59 -13.999   6.564   5.590
  813    H    SER  60           H        SER  60 -15.706   1.032   8.050
  814    HA   SER  60           HA       SER  60 -15.000   2.254  10.427
  815    HB2  SER  60           HB2      SER  60 -16.591   0.345  10.124
  816    HB3  SER  60           HB3      SER  60 -15.191  -0.713   9.936
  817    HG   SER  60           HG       SER  60 -14.546   0.007  12.076
  818    H    ASN  61           H        ASN  61 -13.317  -0.455   8.839
  819    HA   ASN  61           HA       ASN  61 -11.210  -0.556  10.759
  820    HB2  ASN  61           HB2      ASN  61 -11.578  -1.756   8.028
  821    HB3  ASN  61           HB3      ASN  61 -10.126  -2.015   8.988
  822   HD21  ASN  61          HD21      ASN  61 -12.035  -3.950   8.060
  823   HD22  ASN  61          HD22      ASN  61 -12.651  -4.738   9.471
  824    H    LEU  62           H        LEU  62 -11.564   0.796   7.548
  825    HA   LEU  62           HA       LEU  62  -9.021   1.832   7.150
  826    HB2  LEU  62           HB2      LEU  62 -11.610   2.191   6.032
  827    HB3  LEU  62           HB3      LEU  62 -10.887   3.775   6.262
  828    HG   LEU  62           HG       LEU  62  -8.976   3.156   4.939
  829   HD11  LEU  62          HD11      LEU  62  -8.736   0.870   5.610
  830   HD12  LEU  62          HD12      LEU  62 -10.269   0.448   4.845
  831   HD13  LEU  62          HD13      LEU  62  -8.897   0.934   3.855
  832   HD21  LEU  62          HD21      LEU  62 -10.039   2.779   2.777
  833   HD22  LEU  62          HD22      LEU  62 -11.530   2.301   3.589
  834   HD23  LEU  62          HD23      LEU  62 -10.942   3.957   3.730
  835    H    ASP  63           H        ASP  63 -11.783   3.629   8.505
  836    HA   ASP  63           HA       ASP  63 -10.336   5.848   9.396
  837    HB2  ASP  63           HB2      ASP  63 -12.961   4.630  10.135
  838    HB3  ASP  63           HB3      ASP  63 -12.294   5.878  11.176
  839    H    SER  64           H        SER  64  -8.462   5.364  10.479
  840    HA   SER  64           HA       SER  64  -8.502   3.528  12.708
  841    HB2  SER  64           HB2      SER  64  -6.143   3.894  12.845
  842    HB3  SER  64           HB3      SER  64  -6.527   3.880  11.128
  843    HG   SER  64           HG       SER  64  -6.442   6.130  11.104
  844    H    ASN  65           H        ASN  65  -8.819   6.898  12.091
  845    HA   ASN  65           HA       ASN  65  -8.829   7.524  14.960
  846    HB2  ASN  65           HB2      ASN  65  -8.492   9.759  14.398
  847    HB3  ASN  65           HB3      ASN  65  -7.621   8.936  13.109
  848   HD21  ASN  65          HD21      ASN  65  -8.592   8.820  11.018
  849   HD22  ASN  65          HD22      ASN  65  -9.823   9.958  10.553
  850    H    ARG  66           H        ARG  66 -10.873   6.881  12.322
  851    HA   ARG  66           HA       ARG  66 -13.102   6.841  11.986
  852    HB2  ARG  66           HB2      ARG  66 -13.152   7.023  14.998
  853    HB3  ARG  66           HB3      ARG  66 -14.597   6.811  14.023
  854    HG2  ARG  66           HG2      ARG  66 -12.252   4.920  14.092
  855    HG3  ARG  66           HG3      ARG  66 -13.770   4.702  14.964
  856    HD2  ARG  66           HD2      ARG  66 -13.476   4.883  11.966
  857    HD3  ARG  66           HD3      ARG  66 -13.693   3.395  12.884
  858    HE   ARG  66           HE       ARG  66 -15.865   4.630  13.643
  859   HH11  ARG  66          HH12      ARG  66 -14.430   4.639  10.439
  860   HH12  ARG  66          HH11      ARG  66 -15.942   4.838   9.622
  861   HH21  ARG  66          HH22      ARG  66 -17.869   4.890  12.552
  862   HH22  ARG  66          HH21      ARG  66 -17.900   4.966  10.811
  863    H    ASP  67           H        ASP  67 -12.803   8.904  10.878
  864    HA   ASP  67           HA       ASP  67 -14.505  10.918  12.192
  865    HB2  ASP  67           HB2      ASP  67 -13.227  12.742  11.425
  866    HB3  ASP  67           HB3      ASP  67 -12.050  11.609  12.076
  867    H    ASN  68           H        ASN  68 -14.067   8.814   9.692
  868    HA   ASN  68           HA       ASN  68 -15.505   8.217   8.046
  869    HB2  ASN  68           HB2      ASN  68 -17.011  10.709   8.832
  870    HB3  ASN  68           HB3      ASN  68 -17.538   9.627   7.562
  871   HD21  ASN  68          HD21      ASN  68 -17.440  10.238  10.845
  872   HD22  ASN  68          HD22      ASN  68 -18.262   8.818  11.401
  873    H    GLU  69           H        GLU  69 -13.275  10.353   7.942
  874    HA   GLU  69           HA       GLU  69 -13.578  10.738   5.049
  875    HB2  GLU  69           HB2      GLU  69 -12.535  12.775   7.033
  876    HB3  GLU  69           HB3      GLU  69 -12.276  12.889   5.300
  877    HG2  GLU  69           HG2      GLU  69 -14.575  13.219   4.881
  878    HG3  GLU  69           HG3      GLU  69 -15.013  12.756   6.526
  879    H    VAL  70           H        VAL  70 -12.185   9.147   4.439
  880    HA   VAL  70           HA       VAL  70  -9.941   8.431   6.030
  881    HB   VAL  70           HB       VAL  70 -10.668   7.617   3.216
  882   HG11  VAL  70          HG11      VAL  70  -8.533   6.534   5.041
  883   HG12  VAL  70          HG12      VAL  70  -9.071   5.764   3.547
  884   HG13  VAL  70          HG13      VAL  70  -8.292   7.346   3.495
  885   HG21  VAL  70          HG21      VAL  70 -11.361   5.524   4.279
  886   HG22  VAL  70          HG22      VAL  70 -10.962   6.199   5.858
  887   HG23  VAL  70          HG23      VAL  70 -12.268   6.903   4.903
  888    H    ASP  71           H        ASP  71  -8.541  10.067   6.284
  889    HA   ASP  71           HA       ASP  71  -7.375  11.597   4.209
  890    HB2  ASP  71           HB2      ASP  71  -7.236  12.258   6.573
  891    HB3  ASP  71           HB3      ASP  71  -6.286  10.817   6.934
  892    H    PHE  72           H        PHE  72  -4.983  11.339   3.591
  893    HA   PHE  72           HA       PHE  72  -4.736   8.899   2.267
  894    HB2  PHE  72           HB2      PHE  72  -3.603  11.094   1.676
  895    HB3  PHE  72           HB3      PHE  72  -2.397  10.687   2.896
  896    HD1  PHE  72           HD2      PHE  72  -4.061   8.204   0.768
  897    HD2  PHE  72           HD1      PHE  72  -0.538  10.493   1.407
  898    HE1  PHE  72           HE2      PHE  72  -2.904   6.835  -0.879
  899    HE2  PHE  72           HE1      PHE  72   0.628   9.145  -0.274
  900    HZ   PHE  72           HZ       PHE  72  -0.526   7.294  -1.383
  901    H    GLN  73           H        GLN  73  -3.583   9.914   5.377
  902    HA   GLN  73           HA       GLN  73  -1.795   7.842   5.952
  903    HB2  GLN  73           HB2      GLN  73  -3.646   9.431   7.729
  904    HB3  GLN  73           HB3      GLN  73  -2.488   8.267   8.358
  905    HG2  GLN  73           HG2      GLN  73  -1.642  10.535   6.590
  906    HG3  GLN  73           HG3      GLN  73  -1.818  10.726   8.332
  907   HE21  GLN  73          HE21      GLN  73  -0.924   8.058   8.965
  908   HE22  GLN  73          HE22      GLN  73   0.783   8.032   8.685
  909    H    GLU  74           H        GLU  74  -5.330   7.969   6.142
  910    HA   GLU  74           HA       GLU  74  -5.491   5.328   7.330
  911    HB2  GLU  74           HB2      GLU  74  -7.823   6.761   6.093
  912    HB3  GLU  74           HB3      GLU  74  -7.803   5.677   7.474
  913    HG2  GLU  74           HG2      GLU  74  -6.618   8.439   7.496
  914    HG3  GLU  74           HG3      GLU  74  -8.265   8.071   7.997
  915    H    TYR  75           H        TYR  75  -5.123   6.658   4.259
  916    HA   TYR  75           HA       TYR  75  -6.676   4.642   2.864
  917    HB2  TYR  75           HB2      TYR  75  -6.814   6.972   2.127
  918    HB3  TYR  75           HB3      TYR  75  -5.087   6.979   1.795
  919    HD1  TYR  75           HD2      TYR  75  -8.345   5.619   0.723
  920    HD2  TYR  75           HD1      TYR  75  -4.210   6.032  -0.198
  921    HE1  TYR  75           HE2      TYR  75  -8.772   4.807  -1.566
  922    HE2  TYR  75           HE1      TYR  75  -4.632   5.220  -2.487
  923    HH   TYR  75           HH       TYR  75  -6.272   3.904  -3.696
  924    H    CYS  76           H        CYS  76  -3.291   5.420   3.459
  925    HA   CYS  76           HA       CYS  76  -2.132   3.758   1.507
  926    HB2  CYS  76           HB2      CYS  76  -0.150   3.721   2.946
  927    HB3  CYS  76           HB3      CYS  76  -0.817   5.333   2.870
  928    HG   CYS  76           HG       CYS  76   0.037   3.760   5.484
  929    H    VAL  77           H        VAL  77  -3.229   3.112   4.774
  930    HA   VAL  77           HA       VAL  77  -2.394   0.389   4.763
  931    HB   VAL  77           HB       VAL  77  -3.577   0.212   6.893
  932   HG11  VAL  77          HG11      VAL  77  -1.941   2.718   6.549
  933   HG12  VAL  77          HG12      VAL  77  -2.275   1.927   8.089
  934   HG13  VAL  77          HG13      VAL  77  -1.329   1.092   6.857
  935   HG21  VAL  77          HG21      VAL  77  -5.516   1.617   6.391
  936   HG22  VAL  77          HG22      VAL  77  -4.703   2.163   7.858
  937   HG23  VAL  77          HG23      VAL  77  -4.478   3.043   6.346
  938    H    PHE  78           H        PHE  78  -5.221   2.078   3.722
  939    HA   PHE  78           HA       PHE  78  -7.074   0.023   3.600
  940    HB2  PHE  78           HB2      PHE  78  -7.727   2.248   2.957
  941    HB3  PHE  78           HB3      PHE  78  -6.480   2.322   1.726
  942    HD1  PHE  78           HD2      PHE  78  -9.309  -0.023   2.500
  943    HD2  PHE  78           HD1      PHE  78  -7.260   2.367  -0.361
  944    HE1  PHE  78           HE2      PHE  78 -10.911  -0.735   0.764
  945    HE2  PHE  78           HE1      PHE  78  -8.844   1.673  -2.094
  946    HZ   PHE  78           HZ       PHE  78 -10.679   0.121  -1.536
  947    H    LEU  79           H        LEU  79  -4.833   1.051   1.052
  948    HA   LEU  79           HA       LEU  79  -5.424  -1.168  -0.582
  949    HB2  LEU  79           HB2      LEU  79  -3.347   0.978  -0.682
  950    HB3  LEU  79           HB3      LEU  79  -3.379  -0.325  -1.869
  951    HG   LEU  79           HG       LEU  79  -5.550   1.695  -1.319
  952   HD11  LEU  79          HD11      LEU  79  -3.781   2.578  -2.677
  953   HD12  LEU  79          HD12      LEU  79  -3.818   1.154  -3.719
  954   HD13  LEU  79          HD13      LEU  79  -5.189   2.264  -3.693
  955   HD21  LEU  79          HD21      LEU  79  -6.850   0.549  -3.010
  956   HD22  LEU  79          HD22      LEU  79  -5.576  -0.660  -3.192
  957   HD23  LEU  79          HD23      LEU  79  -6.470  -0.547  -1.677
  958    H    SER  80           H        SER  80  -2.522  -0.452   1.362
  959    HA   SER  80           HA       SER  80  -1.082  -2.637   0.361
  960    HB2  SER  80           HB2      SER  80  -0.828  -1.151   2.970
  961    HB3  SER  80           HB3      SER  80   0.354  -2.314   2.364
  962    HG   SER  80           HG       SER  80   1.134  -0.766   1.214
  963    H    CYS  81           H        CYS  81  -3.462  -2.401   2.888
  964    HA   CYS  81           HA       CYS  81  -2.970  -5.065   3.839
  965    HB2  CYS  81           HB2      CYS  81  -5.162  -3.072   4.363
  966    HB3  CYS  81           HB3      CYS  81  -5.107  -4.672   5.112
  967    HG   CYS  81           HG       CYS  81  -2.792  -2.181   5.480
  968    H    ILE  82           H        ILE  82  -4.684  -3.673   1.217
  969    HA   ILE  82           HA       ILE  82  -6.494  -5.923   0.956
  970    HB   ILE  82           HB       ILE  82  -5.927  -3.981  -1.280
  971   HG12  ILE  82          HG12      ILE  82  -7.963  -3.662   0.928
  972   HG13  ILE  82          HG13      ILE  82  -6.514  -2.678   0.731
  973   HG21  ILE  82          HG21      ILE  82  -8.409  -5.528  -0.521
  974   HG22  ILE  82          HG22      ILE  82  -8.167  -4.571  -1.983
  975   HG23  ILE  82          HG23      ILE  82  -7.231  -6.049  -1.735
  976   HD11  ILE  82          HD11      ILE  82  -8.870  -2.831  -1.121
  977   HD12  ILE  82          HD12      ILE  82  -8.375  -1.468  -0.116
  978   HD13  ILE  82          HD13      ILE  82  -7.374  -1.968  -1.481
  979    H    ALA  83           H        ALA  83  -3.232  -5.042  -0.150
  980    HA   ALA  83           HA       ALA  83  -2.865  -7.126  -1.974
  981    HB1  ALA  83           HB1      ALA  83  -0.972  -6.223   0.185
  982    HB2  ALA  83           HB2      ALA  83  -0.543  -7.168  -1.243
  983    HB3  ALA  83           HB3      ALA  83  -1.125  -5.514  -1.423
  984    H    MET  84           H        MET  84  -2.232  -7.191   1.508
  985    HA   MET  84           HA       MET  84  -1.838  -9.921   1.820
  986    HB2  MET  84           HB2      MET  84  -3.034  -7.915   3.729
  987    HB3  MET  84           HB3      MET  84  -2.635  -9.564   4.189
  988    HG2  MET  84           HG2      MET  84  -0.298  -9.161   3.656
  989    HG3  MET  84           HG3      MET  84  -0.689  -7.515   3.157
  990    HE1  MET  84           HE1      MET  84  -1.418  -5.581   4.832
  991    HE2  MET  84           HE2      MET  84  -2.809  -6.599   5.206
  992    HE3  MET  84           HE3      MET  84  -1.854  -5.890   6.513
  993    H    MET  85           H        MET  85  -4.823  -8.068   1.831
  994    HA   MET  85           HA       MET  85  -6.510 -10.275   2.406
  995    HB2  MET  85           HB2      MET  85  -7.181  -7.953   2.884
  996    HB3  MET  85           HB3      MET  85  -7.147  -7.594   1.157
  997    HG2  MET  85           HG2      MET  85  -8.844  -9.869   1.877
  998    HG3  MET  85           HG3      MET  85  -9.355  -8.314   2.537
  999    HE1  MET  85           HE1      MET  85 -10.612  -6.310  -0.328
 1000    HE2  MET  85           HE2      MET  85 -10.994  -6.893   1.297
 1001    HE3  MET  85           HE3      MET  85  -9.429  -6.110   0.980
 1002    H    CYS  86           H        CYS  86  -5.498  -8.690  -0.628
 1003    HA   CYS  86           HA       CYS  86  -7.148 -10.128  -2.378
 1004    HB2  CYS  86           HB2      CYS  86  -5.951  -8.119  -3.073
 1005    HB3  CYS  86           HB3      CYS  86  -4.409  -8.936  -2.857
 1006    HG   CYS  86           HG       CYS  86  -6.416  -8.890  -5.482
 1007    H    ASN  87           H        ASN  87  -4.215 -11.056  -0.758
 1008    HA   ASN  87           HA       ASN  87  -3.263 -13.047  -2.443
 1009    HB2  ASN  87           HB2      ASN  87  -2.101 -12.250  -0.400
 1010    HB3  ASN  87           HB3      ASN  87  -3.275 -13.122   0.583
 1011   HD21  ASN  87          HD21      ASN  87  -0.606 -13.419  -1.632
 1012   HD22  ASN  87          HD22      ASN  87  -0.247 -15.079  -1.297
 1013    H    GLU  88           H        GLU  88  -6.031 -13.045  -0.357
 1014    HA   GLU  88           HA       GLU  88  -6.536 -15.844  -0.366
 1015    HB2  GLU  88           HB2      GLU  88  -7.460 -14.232   1.287
 1016    HB3  GLU  88           HB3      GLU  88  -8.456 -13.538   0.018
 1017    HG2  GLU  88           HG2      GLU  88  -9.587 -15.713  -0.241
 1018    HG3  GLU  88           HG3      GLU  88  -8.625 -16.341   1.098
 1019    H    PHE  89           H        PHE  89  -7.562 -13.141  -2.396
 1020    HA   PHE  89           HA       PHE  89  -9.366 -14.817  -3.933
 1021    HB2  PHE  89           HB2      PHE  89  -8.684 -11.879  -4.128
 1022    HB3  PHE  89           HB3      PHE  89  -9.870 -12.692  -5.144
 1023    HD1  PHE  89           HD1      PHE  89  -9.125 -11.454  -1.787
 1024    HD2  PHE  89           HD2      PHE  89 -12.002 -13.388  -4.255
 1025    HE1  PHE  89           HE1      PHE  89 -10.849 -11.055  -0.082
 1026    HE2  PHE  89           HE2      PHE  89 -13.734 -12.991  -2.553
 1027    HZ   PHE  89           HZ       PHE  89 -13.156 -11.826  -0.463
 1028    H    PHE  90           H        PHE  90  -6.212 -13.355  -4.251
 1029    HA   PHE  90           HA       PHE  90  -5.854 -13.530  -7.020
 1030    HB2  PHE  90           HB2      PHE  90  -4.335 -12.391  -5.344
 1031    HB3  PHE  90           HB3      PHE  90  -3.707 -13.984  -4.940
 1032    HD1  PHE  90           HD1      PHE  90  -4.135 -11.617  -7.763
 1033    HD2  PHE  90           HD2      PHE  90  -1.963 -14.914  -6.174
 1034    HE1  PHE  90           HE1      PHE  90  -2.503 -11.418  -9.592
 1035    HE2  PHE  90           HE2      PHE  90  -0.329 -14.721  -8.004
 1036    HZ   PHE  90           HZ       PHE  90  -0.597 -12.972  -9.715
 1037    H    GLU  91           H        GLU  91  -5.256 -15.892  -4.456
 1038    HA   GLU  91           HA       GLU  91  -4.776 -18.038  -6.313
 1039    HB2  GLU  91           HB2      GLU  91  -5.527 -18.147  -3.380
 1040    HB3  GLU  91           HB3      GLU  91  -4.900 -19.481  -4.336
 1041    HG2  GLU  91           HG2      GLU  91  -3.411 -16.940  -3.702
 1042    HG3  GLU  91           HG3      GLU  91  -3.202 -18.485  -2.878
 1043    H    GLY  92           H        GLY  92  -7.364 -17.309  -3.982
 1044    HA2  GLY  92           HA2      GLY  92  -9.646 -17.232  -4.273
 1045    HA3  GLY  92           HA3      GLY  92  -9.416 -17.624  -5.968
 1046    H    PHE  93           H        PHE  93  -7.942 -20.061  -5.438
 1047    HA   PHE  93           HA       PHE  93  -9.545 -21.775  -3.846
 1048    HB2  PHE  93           HB2      PHE  93 -10.227 -23.205  -5.833
 1049    HB3  PHE  93           HB3      PHE  93 -11.081 -21.690  -5.603
 1050    HD1  PHE  93           HD1      PHE  93 -10.787 -19.829  -7.126
 1051    HD2  PHE  93           HD2      PHE  93  -8.813 -23.543  -7.770
 1052    HE1  PHE  93           HE1      PHE  93 -10.325 -19.176  -9.452
 1053    HE2  PHE  93           HE2      PHE  93  -8.344 -22.890 -10.094
 1054    HZ   PHE  93           HZ       PHE  93  -9.100 -20.707 -10.938
 1055    HA   PRO  94           HA       PRO  94  -5.453 -23.537  -3.949
 1056    HB2  PRO  94           HB2      PRO  94  -6.542 -25.322  -1.893
 1057    HB3  PRO  94           HB3      PRO  94  -5.213 -24.166  -1.779
 1058    HG2  PRO  94           HG2      PRO  94  -7.578 -23.762  -0.545
 1059    HG3  PRO  94           HG3      PRO  94  -6.597 -22.429  -1.182
 1060    HD2  PRO  94           HD2      PRO  94  -9.025 -23.731  -2.361
 1061    HD3  PRO  94           HD3      PRO  94  -8.589 -22.009  -2.298
 1062    H    ASP  95           H        ASP  95  -5.715 -24.469  -5.966
 1063    HA   ASP  95           HA       ASP  95  -5.583 -26.227  -7.396
 1064    HB2  ASP  95           HB2      ASP  95  -4.497 -27.430  -5.502
 1065    HB3  ASP  95           HB3      ASP  95  -6.084 -28.009  -5.004
 1066    H    LYS  96           H        LYS  96  -7.358 -25.709  -8.562
 1067    HA   LYS  96           HA       LYS  96  -9.485 -27.571  -8.635
 1068    HB2  LYS  96           HB2      LYS  96 -10.181 -26.161  -6.663
 1069    HB3  LYS  96           HB3      LYS  96 -10.243 -24.776  -7.744
 1070    HG2  LYS  96           HG2      LYS  96 -12.005 -25.856  -9.040
 1071    HG3  LYS  96           HG3      LYS  96 -11.927 -27.265  -7.979
 1072    HD2  LYS  96           HD2      LYS  96 -13.775 -25.897  -7.296
 1073    HD3  LYS  96           HD3      LYS  96 -12.511 -25.779  -6.070
 1074    HE2  LYS  96           HE2      LYS  96 -11.757 -23.665  -7.177
 1075    HE3  LYS  96           HE3      LYS  96 -13.186 -23.764  -8.207
 1076    HZ1  LYS  96           HZ1      LYS  96 -14.561 -23.716  -6.200
 1077    HZ2  LYS  96           HZ2      LYS  96 -13.602 -22.323  -6.339
 1078    HZ3  LYS  96           HZ3      LYS  96 -13.168 -23.547  -5.245
 1079    H    GLN  97           H        GLN  97 -11.015 -27.003 -10.442
 1080    HA   GLN  97           HA       GLN  97  -9.632 -25.475 -12.485
 1081    HB2  GLN  97           HB2      GLN  97 -11.330 -26.289 -14.010
 1082    HB3  GLN  97           HB3      GLN  97 -10.721 -27.626 -13.047
 1083    HG2  GLN  97           HG2      GLN  97 -12.731 -27.349 -11.573
 1084    HG3  GLN  97           HG3      GLN  97 -13.353 -26.206 -12.763
 1085   HE21  GLN  97          HE21      GLN  97 -15.097 -27.414 -13.362
 1086   HE22  GLN  97          HE22      GLN  97 -14.973 -28.919 -14.211
 1087    HA   PRO  98           HA       PRO  98 -11.674 -21.696 -11.674
 1088    HB2  PRO  98           HB2      PRO  98 -11.499 -20.979 -14.502
 1089    HB3  PRO  98           HB3      PRO  98 -10.623 -20.312 -13.124
 1090    HG2  PRO  98           HG2      PRO  98  -9.411 -21.828 -14.996
 1091    HG3  PRO  98           HG3      PRO  98  -8.916 -21.851 -13.293
 1092    HD2  PRO  98           HD2      PRO  98 -10.635 -23.800 -14.792
 1093    HD3  PRO  98           HD3      PRO  98  -9.329 -24.116 -13.629
 1094    H    ARG  99           H        ARG  99 -13.358 -24.042 -12.874
 1095    HA   ARG  99           HA       ARG  99 -15.789 -22.538 -12.992
 1096    HB2  ARG  99           HB2      ARG  99 -16.482 -23.475 -15.232
 1097    HB3  ARG  99           HB3      ARG  99 -15.262 -22.211 -15.290
 1098    HG2  ARG  99           HG2      ARG  99 -13.523 -23.927 -15.563
 1099    HG3  ARG  99           HG3      ARG  99 -14.776 -25.170 -15.563
 1100    HD2  ARG  99           HD2      ARG  99 -14.547 -22.906 -17.541
 1101    HD3  ARG  99           HD3      ARG  99 -14.056 -24.574 -17.834
 1102    HE   ARG  99           HE       ARG  99 -16.842 -24.100 -17.082
 1103   HH11  ARG  99          HH12      ARG  99 -14.504 -24.784 -19.604
 1104   HH12  ARG  99          HH11      ARG  99 -15.700 -25.349 -20.734
 1105   HH21  ARG  99          HH22      ARG  99 -18.411 -24.813 -18.557
 1106   HH22  ARG  99          HH21      ARG  99 -17.939 -25.344 -20.148
 1107    H    LYS 100           H        LYS 100 -16.617 -23.748 -11.368
 1108    HA   LYS 100           HA       LYS 100 -17.188 -26.540 -11.943
 1109    HB2  LYS 100           HB2      LYS 100 -15.063 -26.714 -10.804
 1110    HB3  LYS 100           HB3      LYS 100 -15.616 -25.641  -9.525
 1111    HG2  LYS 100           HG2      LYS 100 -17.354 -27.343  -8.961
 1112    HG3  LYS 100           HG3      LYS 100 -16.576 -28.428 -10.113
 1113    HD2  LYS 100           HD2      LYS 100 -14.551 -28.429  -8.835
 1114    HD3  LYS 100           HD3      LYS 100 -15.173 -27.170  -7.764
 1115    HE2  LYS 100           HE2      LYS 100 -16.329 -29.940  -8.068
 1116    HE3  LYS 100           HE3      LYS 100 -15.294 -29.406  -6.746
 1117    HZ1  LYS 100           HZ1      LYS 100 -17.666 -29.363  -6.171
 1118    HZ2  LYS 100           HZ2      LYS 100 -17.945 -28.224  -7.395
 1119    HZ3  LYS 100           HZ3      LYS 100 -16.959 -27.827  -6.076
 1120    H    LYS 101           H        LYS 101 -19.045 -27.269 -11.016
 1121    HA   LYS 101           HA       LYS 101 -20.430 -25.430  -9.183
 1122    HB2  LYS 101           HB2      LYS 101 -21.618 -27.749 -10.725
 1123    HB3  LYS 101           HB3      LYS 101 -22.493 -26.520  -9.824
 1124    HG2  LYS 101           HG2      LYS 101 -20.933 -26.136 -12.369
 1125    HG3  LYS 101           HG3      LYS 101 -22.683 -26.064 -12.166
 1126    HD2  LYS 101           HD2      LYS 101 -20.695 -24.179 -10.899
 1127    HD3  LYS 101           HD3      LYS 101 -21.667 -23.828 -12.328
 1128    HE2  LYS 101           HE2      LYS 101 -23.705 -24.054 -11.013
 1129    HE3  LYS 101           HE3      LYS 101 -22.752 -24.461  -9.586
 1130    HZ1  LYS 101           HZ1      LYS 101 -22.763 -21.870 -11.041
 1131    HZ2  LYS 101           HZ2      LYS 101 -21.688 -22.255  -9.786
 1132    HZ3  LYS 101           HZ3      LYS 101 -23.350 -22.167  -9.479
 1133    H    MET   1           H1       MET   1  -4.173   3.190 -18.165
 1134    HA   MET   1           HA       MET   1  -3.733   2.227 -20.364
 1135    HB2  MET   1           HB2      MET   1  -1.286   2.429 -20.293
 1136    HB3  MET   1           HB3      MET   1  -1.220   1.254 -18.986
 1137    HG2  MET   1           HG2      MET   1  -0.618   0.254 -21.115
 1138    HG3  MET   1           HG3      MET   1  -2.090  -0.466 -20.462
 1139    HE1  MET   1           HE1      MET   1  -2.572  -1.526 -22.861
 1140    HE2  MET   1           HE2      MET   1  -2.643  -0.579 -24.348
 1141    HE3  MET   1           HE3      MET   1  -1.110  -0.770 -23.496
 1142    H    ALA   2           H        ALA   2  -2.655   0.651 -17.319
 1143    HA   ALA   2           HA       ALA   2  -4.664  -1.439 -17.767
 1144    HB1  ALA   2           HB1      ALA   2  -3.533  -2.623 -15.962
 1145    HB2  ALA   2           HB2      ALA   2  -2.377  -2.132 -17.200
 1146    HB3  ALA   2           HB3      ALA   2  -2.486  -1.231 -15.687
 1147    H    CYS   3           H        CYS   3  -5.819  -2.141 -15.651
 1148    HA   CYS   3           HA       CYS   3  -7.246   0.050 -14.558
 1149    HB2  CYS   3           HB2      CYS   3  -7.056  -2.797 -13.542
 1150    HB3  CYS   3           HB3      CYS   3  -8.284  -1.618 -13.088
 1151    HG   CYS   3           HG       CYS   3  -8.754  -3.836 -15.184
 1152    HA   PRO   4           HA       PRO   4  -3.643   1.224 -12.283
 1153    HB2  PRO   4           HB2      PRO   4  -5.556   3.140 -11.078
 1154    HB3  PRO   4           HB3      PRO   4  -4.005   3.454 -11.863
 1155    HG2  PRO   4           HG2      PRO   4  -6.251   4.029 -13.122
 1156    HG3  PRO   4           HG3      PRO   4  -4.926   3.241 -14.004
 1157    HD2  PRO   4           HD2      PRO   4  -7.424   2.029 -12.867
 1158    HD3  PRO   4           HD3      PRO   4  -6.661   1.755 -14.450
 1159    H    LEU   5           H        LEU   5  -6.570   1.660 -10.278
 1160    HA   LEU   5           HA       LEU   5  -5.159   1.062  -7.889
 1161    HB2  LEU   5           HB2      LEU   5  -7.585   2.214  -8.539
 1162    HB3  LEU   5           HB3      LEU   5  -8.055   0.712  -7.768
 1163    HG   LEU   5           HG       LEU   5  -7.978   2.640  -6.217
 1164   HD11  LEU   5          HD11      LEU   5  -6.708   1.518  -4.461
 1165   HD12  LEU   5          HD12      LEU   5  -7.747   0.407  -5.357
 1166   HD13  LEU   5          HD13      LEU   5  -6.012   0.438  -5.671
 1167   HD21  LEU   5          HD21      LEU   5  -6.096   3.841  -7.199
 1168   HD22  LEU   5          HD22      LEU   5  -5.825   3.504  -5.485
 1169   HD23  LEU   5          HD23      LEU   5  -5.009   2.538  -6.715
 1170    H    GLU   6           H        GLU   6  -6.895  -0.866 -10.191
 1171    HA   GLU   6           HA       GLU   6  -7.347  -3.144  -8.584
 1172    HB2  GLU   6           HB2      GLU   6  -8.452  -2.806 -10.766
 1173    HB3  GLU   6           HB3      GLU   6  -6.901  -2.999 -11.573
 1174    HG2  GLU   6           HG2      GLU   6  -6.759  -5.292 -10.655
 1175    HG3  GLU   6           HG3      GLU   6  -8.372  -5.085  -9.976
 1176    H    LYS   7           H        LYS   7  -4.733  -2.294 -10.836
 1177    HA   LYS   7           HA       LYS   7  -3.269  -4.662 -10.412
 1178    HB2  LYS   7           HB2      LYS   7  -2.466  -1.969 -11.526
 1179    HB3  LYS   7           HB3      LYS   7  -1.354  -3.332 -11.427
 1180    HG2  LYS   7           HG2      LYS   7  -3.711  -4.283 -12.648
 1181    HG3  LYS   7           HG3      LYS   7  -3.321  -2.740 -13.407
 1182    HD2  LYS   7           HD2      LYS   7  -2.235  -4.491 -14.637
 1183    HD3  LYS   7           HD3      LYS   7  -1.005  -3.572 -13.771
 1184    HE2  LYS   7           HE2      LYS   7  -0.500  -5.906 -13.569
 1185    HE3  LYS   7           HE3      LYS   7  -1.033  -5.313 -11.998
 1186    HZ1  LYS   7           HZ1      LYS   7  -3.320  -6.173 -12.734
 1187    HZ2  LYS   7           HZ2      LYS   7  -2.156  -7.304 -12.237
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.463  -7.069 -13.889
 1189    H    ALA   8           H        ALA   8  -3.385  -1.622  -8.707
 1190    HA   ALA   8           HA       ALA   8  -1.030  -1.581  -7.314
 1191    HB1  ALA   8           HB1      ALA   8  -2.197  -0.406  -5.536
 1192    HB2  ALA   8           HB2      ALA   8  -2.737   0.149  -7.121
 1193    HB3  ALA   8           HB3      ALA   8  -3.746  -0.948  -6.178
 1194    H    LEU   9           H        LEU   9  -3.968  -3.366  -6.277
 1195    HA   LEU   9           HA       LEU   9  -2.523  -4.578  -4.092
 1196    HB2  LEU   9           HB2      LEU   9  -5.239  -5.384  -5.149
 1197    HB3  LEU   9           HB3      LEU   9  -4.542  -5.819  -3.611
 1198    HG   LEU   9           HG       LEU   9  -6.041  -4.177  -3.016
 1199   HD11  LEU   9          HD11      LEU   9  -3.866  -3.687  -2.107
 1200   HD12  LEU   9          HD12      LEU   9  -3.466  -2.717  -3.526
 1201   HD13  LEU   9          HD13      LEU   9  -4.750  -2.196  -2.435
 1202   HD21  LEU   9          HD21      LEU   9  -5.191  -2.550  -5.405
 1203   HD22  LEU   9          HD22      LEU   9  -6.687  -3.475  -5.261
 1204   HD23  LEU   9          HD23      LEU   9  -6.404  -2.088  -4.210
 1205    H    ASP  10           H        ASP  10  -3.634  -5.484  -7.266
 1206    HA   ASP  10           HA       ASP  10  -3.169  -8.221  -7.249
 1207    HB2  ASP  10           HB2      ASP  10  -4.341  -7.148  -9.067
 1208    HB3  ASP  10           HB3      ASP  10  -2.925  -6.188  -9.476
 1209    H    VAL  11           H        VAL  11  -0.946  -5.585  -8.086
 1210    HA   VAL  11           HA       VAL  11   1.146  -7.364  -8.853
 1211    HB   VAL  11           HB       VAL  11   2.516  -5.427  -9.165
 1212   HG11  VAL  11          HG11      VAL  11   0.803  -5.887 -10.838
 1213   HG12  VAL  11          HG12      VAL  11  -0.330  -4.852  -9.969
 1214   HG13  VAL  11          HG13      VAL  11   1.114  -4.157 -10.703
 1215   HG21  VAL  11          HG21      VAL  11   1.997  -4.230  -7.109
 1216   HG22  VAL  11          HG22      VAL  11   1.783  -3.182  -8.512
 1217   HG23  VAL  11          HG23      VAL  11   0.376  -3.878  -7.709
 1218    H    MET  12           H        MET  12   0.251  -5.850  -5.829
 1219    HA   MET  12           HA       MET  12   2.700  -5.973  -4.484
 1220    HB2  MET  12           HB2      MET  12  -0.083  -6.441  -3.424
 1221    HB3  MET  12           HB3      MET  12   1.343  -6.333  -2.407
 1222    HG2  MET  12           HG2      MET  12   1.680  -4.024  -3.523
 1223    HG3  MET  12           HG3      MET  12  -0.010  -4.197  -3.993
 1224    HE1  MET  12           HE1      MET  12  -0.582  -2.046  -2.786
 1225    HE2  MET  12           HE2      MET  12  -0.461  -1.778  -1.042
 1226    HE3  MET  12           HE3      MET  12   1.002  -1.752  -2.049
 1227    H    VAL  13           H        VAL  13   0.204  -8.458  -4.913
 1228    HA   VAL  13           HA       VAL  13   1.928 -10.436  -3.652
 1229    HB   VAL  13           HB       VAL  13   0.059 -11.975  -3.819
 1230   HG11  VAL  13          HG11      VAL  13   0.150 -10.460  -1.919
 1231   HG12  VAL  13          HG12      VAL  13  -0.781  -9.262  -2.816
 1232   HG13  VAL  13          HG13      VAL  13  -1.521 -10.799  -2.371
 1233   HG21  VAL  13          HG21      VAL  13  -1.381  -9.753  -5.261
 1234   HG22  VAL  13          HG22      VAL  13  -0.868 -11.289  -5.956
 1235   HG23  VAL  13          HG23      VAL  13  -2.110 -11.260  -4.705
 1236    H    SER  14           H        SER  14   1.117  -9.350  -6.814
 1237    HA   SER  14           HA       SER  14   1.747 -11.797  -8.185
 1238    HB2  SER  14           HB2      SER  14   0.198 -10.173  -9.171
 1239    HB3  SER  14           HB3      SER  14   1.478  -8.964  -9.226
 1240    HG   SER  14           HG       SER  14   0.955 -10.294 -11.201
 1241    H    THR  15           H        THR  15   3.347  -8.602  -8.146
 1242    HA   THR  15           HA       THR  15   5.787  -9.447  -9.249
 1243    HB   THR  15           HB       THR  15   5.184  -7.114  -7.412
 1244    HG1  THR  15           HG1      THR  15   5.527  -6.202  -9.791
 1245   HG21  THR  15          HG21      THR  15   7.222  -6.097  -8.276
 1246   HG22  THR  15          HG22      THR  15   7.554  -7.538  -9.237
 1247   HG23  THR  15          HG23      THR  15   7.593  -7.624  -7.476
 1248    H    PHE  16           H        PHE  16   4.477  -9.542  -6.075
 1249    HA   PHE  16           HA       PHE  16   6.510  -9.942  -4.331
 1250    HB2  PHE  16           HB2      PHE  16   3.835 -10.255  -4.294
 1251    HB3  PHE  16           HB3      PHE  16   4.307 -11.943  -4.300
 1252    HD1  PHE  16           HD2      PHE  16   6.295  -9.364  -2.587
 1253    HD2  PHE  16           HD1      PHE  16   3.344 -12.400  -2.195
 1254    HE1  PHE  16           HE2      PHE  16   6.526  -9.273  -0.145
 1255    HE2  PHE  16           HE1      PHE  16   3.565 -12.303   0.249
 1256    HZ   PHE  16           HZ       PHE  16   5.158 -10.737   1.276
 1257    H    HIS  17           H        HIS  17   4.964 -12.550  -6.201
 1258    HA   HIS  17           HA       HIS  17   6.536 -14.682  -5.446
 1259    HB2  HIS  17           HB2      HIS  17   5.026 -14.103  -7.974
 1260    HB3  HIS  17           HB3      HIS  17   5.970 -15.577  -7.825
 1261    HD1  HIS  17           HD1      HIS  17   4.800 -17.518  -6.822
 1262    HD2  HIS  17           HD2      HIS  17   2.931 -13.915  -5.903
 1263    HE1  HIS  17           HE1      HIS  17   2.658 -18.139  -5.664
 1264    HE2  HIS  17           HE2      HIS  17   1.451 -15.956  -5.311
 1265    H    LYS  18           H        LYS  18   7.267 -12.233  -7.851
 1266    HA   LYS  18           HA       LYS  18   9.123 -13.620  -9.404
 1267    HB2  LYS  18           HB2      LYS  18   9.191 -10.673  -8.753
 1268    HB3  LYS  18           HB3      LYS  18   9.951 -11.456 -10.126
 1269    HG2  LYS  18           HG2      LYS  18   7.748 -12.023 -11.022
 1270    HG3  LYS  18           HG3      LYS  18   6.990 -11.221  -9.641
 1271    HD2  LYS  18           HD2      LYS  18   8.132  -9.124 -10.277
 1272    HD3  LYS  18           HD3      LYS  18   8.788  -9.937 -11.697
 1273    HE2  LYS  18           HE2      LYS  18   6.497 -10.353 -12.488
 1274    HE3  LYS  18           HE3      LYS  18   5.872  -9.483 -11.086
 1275    HZ1  LYS  18           HZ1      LYS  18   7.624  -8.338 -13.195
 1276    HZ2  LYS  18           HZ2      LYS  18   7.031  -7.494 -11.850
 1277    HZ3  LYS  18           HZ3      LYS  18   5.958  -8.066 -13.040
 1278    H    TYR  19           H        TYR  19   9.691 -11.540  -6.571
 1279    HA   TYR  19           HA       TYR  19  12.552 -12.104  -6.856
 1280    HB2  TYR  19           HB2      TYR  19  11.196  -9.919  -5.267
 1281    HB3  TYR  19           HB3      TYR  19  12.926 -10.079  -5.565
 1282    HD1  TYR  19           HD1      TYR  19  13.805  -9.785  -7.885
 1283    HD2  TYR  19           HD2      TYR  19   9.755  -8.955  -6.892
 1284    HE1  TYR  19           HE1      TYR  19  13.558  -8.513  -9.977
 1285    HE2  TYR  19           HE2      TYR  19   9.497  -7.679  -8.973
 1286    HH   TYR  19           HH       TYR  19  10.750  -6.575 -10.627
 1287    H    SER  20           H        SER  20   9.942 -12.238  -4.467
 1288    HA   SER  20           HA       SER  20  11.667 -12.928  -2.308
 1289    HB2  SER  20           HB2      SER  20   9.528 -13.585  -1.164
 1290    HB3  SER  20           HB3      SER  20   9.541 -11.939  -1.796
 1291    HG   SER  20           HG       SER  20   8.190 -12.525  -3.399
 1292    H    GLY  21           H        GLY  21  10.033 -14.725  -4.796
 1293    HA2  GLY  21           HA2      GLY  21  10.516 -17.282  -3.537
 1294    HA3  GLY  21           HA3      GLY  21   9.843 -17.015  -5.138
 1295    H    LYS  22           H        LYS  22  12.705 -15.274  -4.536
 1296    HA   LYS  22           HA       LYS  22  14.142 -17.026  -6.366
 1297    HB2  LYS  22           HB2      LYS  22  14.197 -14.669  -6.897
 1298    HB3  LYS  22           HB3      LYS  22  14.790 -14.277  -5.289
 1299    HG2  LYS  22           HG2      LYS  22  16.895 -15.302  -5.737
 1300    HG3  LYS  22           HG3      LYS  22  16.309 -15.963  -7.262
 1301    HD2  LYS  22           HD2      LYS  22  16.478 -13.011  -6.678
 1302    HD3  LYS  22           HD3      LYS  22  17.768 -13.925  -7.467
 1303    HE2  LYS  22           HE2      LYS  22  16.051 -14.627  -9.179
 1304    HE3  LYS  22           HE3      LYS  22  14.964 -13.442  -8.455
 1305    HZ1  LYS  22           HZ1      LYS  22  16.663 -11.728  -8.917
 1306    HZ2  LYS  22           HZ2      LYS  22  16.067 -12.463 -10.324
 1307    HZ3  LYS  22           HZ3      LYS  22  17.594 -12.894  -9.726
 1308    H    GLU  23           H        GLU  23  14.754 -15.457  -3.207
 1309    HA   GLU  23           HA       GLU  23  16.772 -17.533  -2.697
 1310    HB2  GLU  23           HB2      GLU  23  16.260 -14.896  -1.318
 1311    HB3  GLU  23           HB3      GLU  23  17.437 -16.079  -0.769
 1312    HG2  GLU  23           HG2      GLU  23  18.600 -15.877  -2.932
 1313    HG3  GLU  23           HG3      GLU  23  17.457 -14.616  -3.395
 1314    H    GLY  24           H        GLY  24  13.943 -15.967  -1.220
 1315    HA2  GLY  24           HA2      GLY  24  13.853 -18.209   0.707
 1316    HA3  GLY  24           HA3      GLY  24  13.165 -16.615   0.989
 1317    H    ASP  25           H        ASP  25  11.070 -16.951   1.220
 1318    HA   ASP  25           HA       ASP  25   9.677 -18.702  -0.673
 1319    HB2  ASP  25           HB2      ASP  25   8.802 -17.547   1.984
 1320    HB3  ASP  25           HB3      ASP  25   7.758 -18.494   0.926
 1321    H    LYS  26           H        LYS  26   7.816 -17.961  -1.746
 1322    HA   LYS  26           HA       LYS  26   8.105 -15.373  -2.817
 1323    HB2  LYS  26           HB2      LYS  26   6.292 -15.868  -4.252
 1324    HB3  LYS  26           HB3      LYS  26   7.183 -17.360  -4.036
 1325    HG2  LYS  26           HG2      LYS  26   4.682 -16.686  -2.502
 1326    HG3  LYS  26           HG3      LYS  26   4.675 -17.552  -4.034
 1327    HD2  LYS  26           HD2      LYS  26   6.019 -18.454  -1.487
 1328    HD3  LYS  26           HD3      LYS  26   4.508 -19.077  -2.139
 1329    HE2  LYS  26           HE2      LYS  26   5.755 -19.776  -4.182
 1330    HE3  LYS  26           HE3      LYS  26   7.247 -19.304  -3.372
 1331    HZ1  LYS  26           HZ1      LYS  26   6.908 -21.644  -3.113
 1332    HZ2  LYS  26           HZ2      LYS  26   5.352 -21.407  -2.486
 1333    HZ3  LYS  26           HZ3      LYS  26   6.704 -20.900  -1.603
 1334    H    PHE  27           H        PHE  27   7.300 -15.594   0.138
 1335    HA   PHE  27           HA       PHE  27   5.316 -13.437  -0.050
 1336    HB2  PHE  27           HB2      PHE  27   4.337 -14.236   2.118
 1337    HB3  PHE  27           HB3      PHE  27   4.052 -15.307   0.754
 1338    HD1  PHE  27           HD2      PHE  27   6.515 -14.838   3.531
 1339    HD2  PHE  27           HD1      PHE  27   4.345 -17.550   1.073
 1340    HE1  PHE  27           HE2      PHE  27   7.409 -16.725   4.832
 1341    HE2  PHE  27           HE1      PHE  27   5.232 -19.442   2.372
 1342    HZ   PHE  27           HZ       PHE  27   6.766 -19.030   4.255
 1343    H    LYS  28           H        LYS  28   8.387 -13.941   0.510
 1344    HA   LYS  28           HA       LYS  28   8.539 -11.716   2.346
 1345    HB2  LYS  28           HB2      LYS  28  10.007 -12.829   3.947
 1346    HB3  LYS  28           HB3      LYS  28   8.433 -13.606   3.886
 1347    HG2  LYS  28           HG2      LYS  28   9.390 -15.355   2.433
 1348    HG3  LYS  28           HG3      LYS  28  10.974 -14.593   2.613
 1349    HD2  LYS  28           HD2      LYS  28  10.718 -14.851   5.086
 1350    HD3  LYS  28           HD3      LYS  28   9.263 -15.802   4.773
 1351    HE2  LYS  28           HE2      LYS  28  10.519 -17.456   3.572
 1352    HE3  LYS  28           HE3      LYS  28  11.980 -16.472   3.658
 1353    HZ1  LYS  28           HZ1      LYS  28  12.002 -16.736   6.041
 1354    HZ2  LYS  28           HZ2      LYS  28  11.981 -18.262   5.295
 1355    HZ3  LYS  28           HZ3      LYS  28  10.565 -17.638   5.995
 1356    H    LEU  29           H        LEU  29  10.209 -10.433   1.893
 1357    HA   LEU  29           HA       LEU  29  12.218 -11.461  -0.008
 1358    HB2  LEU  29           HB2      LEU  29  11.159  -8.643   0.249
 1359    HB3  LEU  29           HB3      LEU  29  12.423  -9.149  -0.849
 1360    HG   LEU  29           HG       LEU  29  10.616 -10.744  -1.818
 1361   HD11  LEU  29          HD11      LEU  29   8.896  -8.691  -0.443
 1362   HD12  LEU  29          HD12      LEU  29   8.343  -9.865  -1.636
 1363   HD13  LEU  29          HD13      LEU  29   8.956 -10.416  -0.077
 1364   HD21  LEU  29          HD21      LEU  29   9.869  -8.984  -3.340
 1365   HD22  LEU  29          HD22      LEU  29  10.482  -7.761  -2.226
 1366   HD23  LEU  29          HD23      LEU  29  11.600  -8.871  -3.019
 1367    H    ASN  30           H        ASN  30  14.261 -11.470   0.699
 1368    HA   ASN  30           HA       ASN  30  14.978  -9.962   3.074
 1369    HB2  ASN  30           HB2      ASN  30  16.952 -11.182   3.135
 1370    HB3  ASN  30           HB3      ASN  30  15.871 -12.321   2.343
 1371   HD21  ASN  30          HD21      ASN  30  16.084 -12.658   0.111
 1372   HD22  ASN  30          HD22      ASN  30  17.565 -12.277  -0.714
 1373    H    LYS  31           H        LYS  31  17.420  -8.962   2.690
 1374    HA   LYS  31           HA       LYS  31  17.023  -6.472   1.626
 1375    HB2  LYS  31           HB2      LYS  31  19.705  -7.857   1.552
 1376    HB3  LYS  31           HB3      LYS  31  19.393  -6.136   1.702
 1377    HG2  LYS  31           HG2      LYS  31  18.471  -6.482   3.927
 1378    HG3  LYS  31           HG3      LYS  31  18.742  -8.221   3.777
 1379    HD2  LYS  31           HD2      LYS  31  21.194  -7.583   3.326
 1380    HD3  LYS  31           HD3      LYS  31  20.758  -6.009   3.992
 1381    HE2  LYS  31           HE2      LYS  31  20.415  -8.650   5.400
 1382    HE3  LYS  31           HE3      LYS  31  21.743  -7.525   5.669
 1383    HZ1  LYS  31           HZ1      LYS  31  18.898  -6.822   6.081
 1384    HZ2  LYS  31           HZ2      LYS  31  20.258  -5.921   6.544
 1385    HZ3  LYS  31           HZ3      LYS  31  19.910  -7.391   7.312
 1386    H    SER  32           H        SER  32  18.657  -9.194  -0.003
 1387    HA   SER  32           HA       SER  32  19.266  -7.740  -2.349
 1388    HB2  SER  32           HB2      SER  32  20.430  -9.817  -1.552
 1389    HB3  SER  32           HB3      SER  32  19.024 -10.740  -2.075
 1390    HG   SER  32           HG       SER  32  19.415 -10.124  -4.189
 1391    H    GLU  33           H        GLU  33  16.516  -9.712  -1.419
 1392    HA   GLU  33           HA       GLU  33  15.450  -9.934  -4.062
 1393    HB2  GLU  33           HB2      GLU  33  14.214 -10.437  -1.348
 1394    HB3  GLU  33           HB3      GLU  33  13.428 -10.810  -2.879
 1395    HG2  GLU  33           HG2      GLU  33  15.058 -12.438  -3.426
 1396    HG3  GLU  33           HG3      GLU  33  16.109 -11.923  -2.110
 1397    H    LEU  34           H        LEU  34  14.859  -7.856  -1.267
 1398    HA   LEU  34           HA       LEU  34  12.761  -6.356  -2.426
 1399    HB2  LEU  34           HB2      LEU  34  14.638  -6.006  -0.155
 1400    HB3  LEU  34           HB3      LEU  34  13.821  -4.573  -0.757
 1401    HG   LEU  34           HG       LEU  34  12.355  -7.067   0.082
 1402   HD11  LEU  34          HD11      LEU  34  11.840  -5.818   2.150
 1403   HD12  LEU  34          HD12      LEU  34  13.549  -6.232   1.999
 1404   HD13  LEU  34          HD13      LEU  34  13.008  -4.588   1.662
 1405   HD21  LEU  34          HD21      LEU  34  10.438  -5.564   0.146
 1406   HD22  LEU  34          HD22      LEU  34  11.461  -4.221  -0.374
 1407   HD23  LEU  34          HD23      LEU  34  11.174  -5.581  -1.459
 1408    H    LYS  35           H        LYS  35  16.279  -5.940  -2.436
 1409    HA   LYS  35           HA       LYS  35  16.341  -3.441  -3.656
 1410    HB2  LYS  35           HB2      LYS  35  18.316  -4.652  -2.658
 1411    HB3  LYS  35           HB3      LYS  35  18.382  -5.615  -4.131
 1412    HG2  LYS  35           HG2      LYS  35  19.038  -3.816  -5.436
 1413    HG3  LYS  35           HG3      LYS  35  18.416  -2.630  -4.289
 1414    HD2  LYS  35           HD2      LYS  35  20.791  -2.564  -4.154
 1415    HD3  LYS  35           HD3      LYS  35  20.207  -3.367  -2.697
 1416    HE2  LYS  35           HE2      LYS  35  20.662  -5.551  -3.792
 1417    HE3  LYS  35           HE3      LYS  35  21.376  -4.672  -5.144
 1418    HZ1  LYS  35           HZ1      LYS  35  22.321  -4.426  -2.341
 1419    HZ2  LYS  35           HZ2      LYS  35  23.070  -3.815  -3.735
 1420    HZ3  LYS  35           HZ3      LYS  35  23.002  -5.486  -3.472
 1421    H    GLU  36           H        GLU  36  16.380  -6.676  -5.173
 1422    HA   GLU  36           HA       GLU  36  16.354  -5.737  -7.816
 1423    HB2  GLU  36           HB2      GLU  36  15.766  -8.285  -6.491
 1424    HB3  GLU  36           HB3      GLU  36  14.902  -8.018  -7.997
 1425    HG2  GLU  36           HG2      GLU  36  17.078  -7.518  -9.085
 1426    HG3  GLU  36           HG3      GLU  36  17.875  -8.005  -7.591
 1427    H    LEU  37           H        LEU  37  13.681  -6.459  -5.600
 1428    HA   LEU  37           HA       LEU  37  11.496  -6.003  -7.220
 1429    HB2  LEU  37           HB2      LEU  37  11.488  -6.642  -4.784
 1430    HB3  LEU  37           HB3      LEU  37  11.823  -4.962  -4.408
 1431    HG   LEU  37           HG       LEU  37   9.627  -4.532  -5.789
 1432   HD11  LEU  37          HD11      LEU  37   7.986  -6.299  -5.521
 1433   HD12  LEU  37          HD12      LEU  37   9.347  -6.862  -6.489
 1434   HD13  LEU  37          HD13      LEU  37   9.204  -7.350  -4.799
 1435   HD21  LEU  37          HD21      LEU  37   9.957  -3.946  -3.455
 1436   HD22  LEU  37          HD22      LEU  37   8.359  -4.650  -3.699
 1437   HD23  LEU  37          HD23      LEU  37   9.648  -5.615  -2.976
 1438    H    LEU  38           H        LEU  38  13.170  -3.588  -5.227
 1439    HA   LEU  38           HA       LEU  38  11.722  -1.403  -6.290
 1440    HB2  LEU  38           HB2      LEU  38  14.151  -1.628  -4.552
 1441    HB3  LEU  38           HB3      LEU  38  13.586  -0.065  -5.123
 1442    HG   LEU  38           HG       LEU  38  11.323  -1.332  -4.041
 1443   HD11  LEU  38          HD11      LEU  38  12.039  -1.815  -1.744
 1444   HD12  LEU  38          HD12      LEU  38  12.713  -2.951  -2.918
 1445   HD13  LEU  38          HD13      LEU  38  13.722  -1.664  -2.256
 1446   HD21  LEU  38          HD21      LEU  38  11.473   0.452  -2.378
 1447   HD22  LEU  38          HD22      LEU  38  13.134   0.776  -2.871
 1448   HD23  LEU  38          HD23      LEU  38  11.808   1.054  -4.001
 1449    H    THR  39           H        THR  39  14.953  -2.706  -7.058
 1450    HA   THR  39           HA       THR  39  15.789  -0.543  -8.659
 1451    HB   THR  39           HB       THR  39  17.317  -2.203  -9.774
 1452    HG1  THR  39           HG1      THR  39  16.346  -4.046  -7.848
 1453   HG21  THR  39          HG21      THR  39  18.656  -2.630  -7.790
 1454   HG22  THR  39          HG22      THR  39  17.267  -2.271  -6.768
 1455   HG23  THR  39          HG23      THR  39  17.989  -0.997  -7.755
 1456    H    ARG  40           H        ARG  40  13.845  -3.354  -9.362
 1457    HA   ARG  40           HA       ARG  40  13.924  -2.908 -12.209
 1458    HB2  ARG  40           HB2      ARG  40  12.473  -4.890 -10.474
 1459    HB3  ARG  40           HB3      ARG  40  12.340  -4.865 -12.231
 1460    HG2  ARG  40           HG2      ARG  40  14.895  -5.245 -10.680
 1461    HG3  ARG  40           HG3      ARG  40  13.940  -6.541 -11.402
 1462    HD2  ARG  40           HD2      ARG  40  15.172  -4.248 -12.923
 1463    HD3  ARG  40           HD3      ARG  40  15.874  -5.862 -12.784
 1464    HE   ARG  40           HE       ARG  40  13.800  -6.678 -13.903
 1465   HH11  ARG  40          HH12      ARG  40  14.824  -3.349 -14.326
 1466   HH12  ARG  40          HH11      ARG  40  14.048  -3.184 -15.875
 1467   HH21  ARG  40          HH22      ARG  40  12.787  -6.454 -15.932
 1468   HH22  ARG  40          HH21      ARG  40  12.862  -4.931 -16.771
 1469    H    GLU  41           H        GLU  41  11.296  -3.017  -9.775
 1470    HA   GLU  41           HA       GLU  41   9.617  -1.695 -11.772
 1471    HB2  GLU  41           HB2      GLU  41   9.024  -3.566  -9.528
 1472    HB3  GLU  41           HB3      GLU  41   7.759  -2.493 -10.121
 1473    HG2  GLU  41           HG2      GLU  41   7.879  -3.413 -12.311
 1474    HG3  GLU  41           HG3      GLU  41   9.344  -4.316 -11.911
 1475    H    LEU  42           H        LEU  42  11.252  -0.866  -8.912
 1476    HA   LEU  42           HA       LEU  42   9.448   1.468  -8.650
 1477    HB2  LEU  42           HB2      LEU  42  11.054   0.200  -6.428
 1478    HB3  LEU  42           HB3      LEU  42  10.037   1.616  -6.278
 1479    HG   LEU  42           HG       LEU  42   8.101   0.067  -6.973
 1480   HD11  LEU  42          HD11      LEU  42  10.306  -1.762  -7.002
 1481   HD12  LEU  42          HD12      LEU  42   9.083  -2.273  -5.828
 1482   HD13  LEU  42          HD13      LEU  42   8.633  -2.001  -7.512
 1483   HD21  LEU  42          HD21      LEU  42   7.806  -0.693  -4.665
 1484   HD22  LEU  42          HD22      LEU  42   9.494  -0.311  -4.327
 1485   HD23  LEU  42          HD23      LEU  42   8.362   0.978  -4.735
 1486    HA   PRO  43           HA       PRO  43  14.100   2.326  -9.458
 1487    HB2  PRO  43           HB2      PRO  43  13.252   3.672 -11.917
 1488    HB3  PRO  43           HB3      PRO  43  14.484   2.431 -11.693
 1489    HG2  PRO  43           HG2      PRO  43  12.154   1.907 -12.928
 1490    HG3  PRO  43           HG3      PRO  43  12.970   0.701 -11.914
 1491    HD2  PRO  43           HD2      PRO  43  10.631   2.458 -11.263
 1492    HD3  PRO  43           HD3      PRO  43  10.896   0.740 -10.863
 1493    H    SER  44           H        SER  44  11.312   4.398 -10.080
 1494    HA   SER  44           HA       SER  44  12.716   6.855  -9.762
 1495    HB2  SER  44           HB2      SER  44  10.281   7.712  -9.482
 1496    HB3  SER  44           HB3      SER  44  10.758   7.020 -11.034
 1497    HG   SER  44           HG       SER  44   9.318   5.531 -10.751
 1498    H    PHE  45           H        PHE  45  10.827   4.793  -7.640
 1499    HA   PHE  45           HA       PHE  45  10.688   6.645  -5.468
 1500    HB2  PHE  45           HB2      PHE  45  10.307   3.659  -5.253
 1501    HB3  PHE  45           HB3      PHE  45   9.571   4.924  -4.282
 1502    HD1  PHE  45           HD2      PHE  45   7.810   6.389  -5.334
 1503    HD2  PHE  45           HD1      PHE  45   9.298   2.863  -7.188
 1504    HE1  PHE  45           HE2      PHE  45   5.820   6.309  -6.779
 1505    HE2  PHE  45           HE1      PHE  45   7.316   2.775  -8.633
 1506    HZ   PHE  45           HZ       PHE  45   5.574   4.490  -8.431
 1507    H    LEU  46           H        LEU  46  13.421   5.690  -6.540
 1508    HA   LEU  46           HA       LEU  46  14.444   4.829  -3.931
 1509    HB2  LEU  46           HB2      LEU  46  16.009   5.026  -6.508
 1510    HB3  LEU  46           HB3      LEU  46  16.519   4.269  -5.012
 1511    HG   LEU  46           HG       LEU  46  14.568   3.275  -7.055
 1512   HD11  LEU  46          HD11      LEU  46  16.888   2.008  -5.617
 1513   HD12  LEU  46          HD12      LEU  46  15.885   1.231  -6.841
 1514   HD13  LEU  46          HD13      LEU  46  16.887   2.616  -7.272
 1515   HD21  LEU  46          HD21      LEU  46  14.647   2.502  -4.141
 1516   HD22  LEU  46          HD22      LEU  46  13.270   3.021  -5.111
 1517   HD23  LEU  46          HD23      LEU  46  14.002   1.447  -5.401
 1518    H    GLY  47           H        GLY  47  14.211   7.478  -6.074
 1519    HA2  GLY  47           HA2      GLY  47  14.782   9.686  -5.875
 1520    HA3  GLY  47           HA3      GLY  47  15.178   9.364  -4.199
 1521    H    LYS  48           H        LYS  48  17.212   7.436  -4.724
 1522    HA   LYS  48           HA       LYS  48  19.173   8.882  -6.365
 1523    HB2  LYS  48           HB2      LYS  48  19.600   7.783  -3.582
 1524    HB3  LYS  48           HB3      LYS  48  20.916   8.227  -4.660
 1525    HG2  LYS  48           HG2      LYS  48  20.156  10.527  -4.686
 1526    HG3  LYS  48           HG3      LYS  48  18.777  10.100  -3.671
 1527    HD2  LYS  48           HD2      LYS  48  20.619  11.129  -2.392
 1528    HD3  LYS  48           HD3      LYS  48  20.251   9.489  -1.857
 1529    HE2  LYS  48           HE2      LYS  48  22.143   8.626  -3.110
 1530    HE3  LYS  48           HE3      LYS  48  22.485  10.237  -3.743
 1531    HZ1  LYS  48           HZ1      LYS  48  23.918   9.605  -1.862
 1532    HZ2  LYS  48           HZ2      LYS  48  22.549   9.514  -0.863
 1533    HZ3  LYS  48           HZ3      LYS  48  23.003  11.000  -1.550
 1534    H    ARG  49           H        ARG  49  19.361   6.019  -4.321
 1535    HA   ARG  49           HA       ARG  49  19.040   4.015  -6.201
 1536    HB2  ARG  49           HB2      ARG  49  21.020   5.040  -7.316
 1537    HB3  ARG  49           HB3      ARG  49  21.957   4.760  -5.856
 1538    HG2  ARG  49           HG2      ARG  49  22.427   3.057  -7.511
 1539    HG3  ARG  49           HG3      ARG  49  21.618   2.345  -6.111
 1540    HD2  ARG  49           HD2      ARG  49  19.464   2.524  -7.365
 1541    HD3  ARG  49           HD3      ARG  49  20.390   3.033  -8.777
 1542    HE   ARG  49           HE       ARG  49  20.940   0.440  -7.485
 1543   HH11  ARG  49          HH12      ARG  49  20.002   2.315 -10.294
 1544   HH12  ARG  49          HH11      ARG  49  20.061   0.956 -11.382
 1545   HH21  ARG  49          HH22      ARG  49  20.994  -1.354  -8.895
 1546   HH22  ARG  49          HH21      ARG  49  20.601  -1.143 -10.575
 1547    H    THR  50           H        THR  50  19.385   1.966  -5.277
 1548    HA   THR  50           HA       THR  50  19.634   1.971  -2.413
 1549    HB   THR  50           HB       THR  50  19.318  -0.560  -2.793
 1550    HG1  THR  50           HG1      THR  50  19.844  -0.455  -5.074
 1551   HG21  THR  50          HG21      THR  50  17.167   1.380  -3.651
 1552   HG22  THR  50          HG22      THR  50  17.555   0.944  -1.987
 1553   HG23  THR  50          HG23      THR  50  16.906  -0.271  -3.089
 1554    H    ASP  51           H        ASP  51  21.702   2.309  -1.751
 1555    HA   ASP  51           HA       ASP  51  23.871   0.784  -2.983
 1556    HB2  ASP  51           HB2      ASP  51  23.946   2.966  -0.890
 1557    HB3  ASP  51           HB3      ASP  51  25.362   2.156  -1.541
 1558    H    GLU  52           H        GLU  52  25.559  -0.045  -1.412
 1559    HA   GLU  52           HA       GLU  52  24.447  -2.098   0.141
 1560    HB2  GLU  52           HB2      GLU  52  26.618  -2.424  -0.756
 1561    HB3  GLU  52           HB3      GLU  52  27.227  -0.948  -0.015
 1562    HG2  GLU  52           HG2      GLU  52  26.969  -1.950   2.190
 1563    HG3  GLU  52           HG3      GLU  52  26.376  -3.432   1.447
 1564    H    ALA  53           H        ALA  53  26.232   0.796   1.230
 1565    HA   ALA  53           HA       ALA  53  25.821   0.260   3.989
 1566    HB1  ALA  53           HB1      ALA  53  27.692   1.595   3.171
 1567    HB2  ALA  53           HB2      ALA  53  26.572   2.853   2.651
 1568    HB3  ALA  53           HB3      ALA  53  26.743   2.479   4.366
 1569    H    ALA  54           H        ALA  54  23.799   1.596   1.619
 1570    HA   ALA  54           HA       ALA  54  22.130   3.011   3.534
 1571    HB1  ALA  54           HB1      ALA  54  22.477   3.922   1.269
 1572    HB2  ALA  54           HB2      ALA  54  21.671   2.496   0.604
 1573    HB3  ALA  54           HB3      ALA  54  20.775   3.617   1.632
 1574    H    PHE  55           H        PHE  55  22.173   0.054   1.651
 1575    HA   PHE  55           HA       PHE  55  19.458  -0.616   2.107
 1576    HB2  PHE  55           HB2      PHE  55  21.323  -1.531   0.385
 1577    HB3  PHE  55           HB3      PHE  55  21.322  -2.837   1.571
 1578    HD1  PHE  55           HD2      PHE  55  19.077  -3.866   2.191
 1579    HD2  PHE  55           HD1      PHE  55  19.660  -1.381  -1.209
 1580    HE1  PHE  55           HE2      PHE  55  16.999  -4.731   1.209
 1581    HE2  PHE  55           HE1      PHE  55  17.577  -2.228  -2.193
 1582    HZ   PHE  55           HZ       PHE  55  16.243  -3.911  -0.985
 1583    H    GLN  56           H        GLN  56  22.393  -1.235   3.905
 1584    HA   GLN  56           HA       GLN  56  21.401  -3.201   5.652
 1585    HB2  GLN  56           HB2      GLN  56  23.123  -2.364   7.249
 1586    HB3  GLN  56           HB3      GLN  56  23.758  -2.675   5.639
 1587    HG2  GLN  56           HG2      GLN  56  23.795  -0.343   5.130
 1588    HG3  GLN  56           HG3      GLN  56  22.950   0.045   6.627
 1589   HE21  GLN  56          HE21      GLN  56  24.044   0.006   8.554
 1590   HE22  GLN  56          HE22      GLN  56  25.778  -0.044   8.648
 1591    H    LYS  57           H        LYS  57  20.851   0.188   5.391
 1592    HA   LYS  57           HA       LYS  57  19.449   0.392   7.922
 1593    HB2  LYS  57           HB2      LYS  57  19.680   2.371   5.640
 1594    HB3  LYS  57           HB3      LYS  57  19.073   2.716   7.254
 1595    HG2  LYS  57           HG2      LYS  57  21.198   2.518   8.216
 1596    HG3  LYS  57           HG3      LYS  57  21.857   1.710   6.792
 1597    HD2  LYS  57           HD2      LYS  57  21.648   3.749   5.504
 1598    HD3  LYS  57           HD3      LYS  57  20.901   4.580   6.877
 1599    HE2  LYS  57           HE2      LYS  57  22.983   4.213   8.167
 1600    HE3  LYS  57           HE3      LYS  57  23.709   3.460   6.748
 1601    HZ1  LYS  57           HZ1      LYS  57  24.419   5.710   6.842
 1602    HZ2  LYS  57           HZ2      LYS  57  22.836   6.283   7.036
 1603    HZ3  LYS  57           HZ3      LYS  57  23.315   5.593   5.558
 1604    H    LEU  58           H        LEU  58  18.821  -0.083   4.536
 1605    HA   LEU  58           HA       LEU  58  16.118   0.709   4.490
 1606    HB2  LEU  58           HB2      LEU  58  17.524   0.479   2.468
 1607    HB3  LEU  58           HB3      LEU  58  17.495  -1.266   2.673
 1608    HG   LEU  58           HG       LEU  58  15.028  -1.226   2.415
 1609   HD11  LEU  58          HD11      LEU  58  13.872   0.715   1.797
 1610   HD12  LEU  58          HD12      LEU  58  14.859   1.174   3.182
 1611   HD13  LEU  58          HD13      LEU  58  15.359   1.629   1.547
 1612   HD21  LEU  58          HD21      LEU  58  16.554  -1.583   0.479
 1613   HD22  LEU  58          HD22      LEU  58  14.981  -0.897   0.060
 1614   HD23  LEU  58          HD23      LEU  58  16.407   0.139   0.121
 1615    H    MET  59           H        MET  59  17.467  -2.598   4.409
 1616    HA   MET  59           HA       MET  59  15.103  -3.987   4.694
 1617    HB2  MET  59           HB2      MET  59  17.032  -5.260   4.243
 1618    HB3  MET  59           HB3      MET  59  17.885  -4.623   5.643
 1619    HG2  MET  59           HG2      MET  59  17.155  -6.977   5.892
 1620    HG3  MET  59           HG3      MET  59  16.535  -5.903   7.142
 1621    HE1  MET  59           HE1      MET  59  15.470  -6.406   3.463
 1622    HE2  MET  59           HE2      MET  59  15.573  -8.100   3.968
 1623    HE3  MET  59           HE3      MET  59  14.001  -7.381   3.591
 1624    H    SER  60           H        SER  60  17.127  -2.652   7.279
 1625    HA   SER  60           HA       SER  60  15.591  -3.735   9.393
 1626    HB2  SER  60           HB2      SER  60  17.976  -2.929   9.510
 1627    HB3  SER  60           HB3      SER  60  17.351  -1.280   9.494
 1628    HG   SER  60           HG       SER  60  16.970  -1.473  11.546
 1629    H    ASN  61           H        ASN  61  15.049  -1.114   7.273
 1630    HA   ASN  61           HA       ASN  61  13.221   0.255   9.080
 1631    HB2  ASN  61           HB2      ASN  61  14.369   0.877   6.391
 1632    HB3  ASN  61           HB3      ASN  61  12.904   1.690   6.932
 1633   HD21  ASN  61          HD21      ASN  61  14.147   3.643   6.845
 1634   HD22  ASN  61          HD22      ASN  61  15.195   4.055   8.159
 1635    H    LEU  62           H        LEU  62  13.193  -2.243   6.815
 1636    HA   LEU  62           HA       LEU  62  10.260  -2.033   6.620
 1637    HB2  LEU  62           HB2      LEU  62  12.277  -3.267   4.764
 1638    HB3  LEU  62           HB3      LEU  62  10.592  -3.744   4.727
 1639    HG   LEU  62           HG       LEU  62  10.808  -2.180   3.021
 1640   HD11  LEU  62          HD11      LEU  62   8.853  -1.774   4.401
 1641   HD12  LEU  62          HD12      LEU  62   9.796  -0.675   5.423
 1642   HD13  LEU  62          HD13      LEU  62   9.478  -0.262   3.737
 1643   HD21  LEU  62          HD21      LEU  62  12.999  -1.335   3.577
 1644   HD22  LEU  62          HD22      LEU  62  11.882  -0.008   3.256
 1645   HD23  LEU  62          HD23      LEU  62  12.321  -0.409   4.917
 1646    H    ASP  63           H        ASP  63  12.353  -3.344   8.570
 1647    HA   ASP  63           HA       ASP  63  10.787  -5.797   8.839
 1648    HB2  ASP  63           HB2      ASP  63  12.844  -6.410   7.635
 1649    HB3  ASP  63           HB3      ASP  63  13.809  -5.712   8.929
 1650    H    SER  64           H        SER  64   9.785  -5.378  10.676
 1651    HA   SER  64           HA       SER  64  11.137  -4.088  12.884
 1652    HB2  SER  64           HB2      SER  64   8.327  -5.197  12.676
 1653    HB3  SER  64           HB3      SER  64   8.948  -4.212  14.001
 1654    HG   SER  64           HG       SER  64   8.171  -3.478  11.436
 1655    H    ASN  65           H        ASN  65  10.931  -7.199  11.722
 1656    HA   ASN  65           HA       ASN  65  11.039  -8.456  14.362
 1657    HB2  ASN  65           HB2      ASN  65   9.717  -9.515  12.526
 1658    HB3  ASN  65           HB3      ASN  65  11.207  -9.722  11.612
 1659   HD21  ASN  65          HD21      ASN  65  10.984 -11.949  11.565
 1660   HD22  ASN  65          HD22      ASN  65  11.256 -12.932  12.967
 1661    H    ARG  66           H        ARG  66  13.001  -7.335  11.806
 1662    HA   ARG  66           HA       ARG  66  15.229  -7.122  11.498
 1663    HB2  ARG  66           HB2      ARG  66  15.414  -7.712  14.459
 1664    HB3  ARG  66           HB3      ARG  66  16.643  -6.930  13.472
 1665    HG2  ARG  66           HG2      ARG  66  15.092  -5.067  13.052
 1666    HG3  ARG  66           HG3      ARG  66  13.903  -5.844  14.099
 1667    HD2  ARG  66           HD2      ARG  66  15.608  -5.762  15.934
 1668    HD3  ARG  66           HD3      ARG  66  16.615  -4.782  14.868
 1669    HE   ARG  66           HE       ARG  66  13.887  -3.912  15.552
 1670   HH11  ARG  66          HH12      ARG  66  17.340  -3.375  15.551
 1671   HH12  ARG  66          HH11      ARG  66  17.223  -1.759  16.175
 1672   HH21  ARG  66          HH22      ARG  66  13.716  -1.767  16.326
 1673   HH22  ARG  66          HH21      ARG  66  15.158  -0.837  16.606
 1674    H    ASP  67           H        ASP  67  14.449  -9.419  10.551
 1675    HA   ASP  67           HA       ASP  67  16.201 -11.495  11.698
 1676    HB2  ASP  67           HB2      ASP  67  13.770 -12.027  11.481
 1677    HB3  ASP  67           HB3      ASP  67  13.921 -11.833   9.737
 1678    H    ASN  68           H        ASN  68  15.221  -9.973   8.662
 1679    HA   ASN  68           HA       ASN  68  17.365  -9.377   7.323
 1680    HB2  ASN  68           HB2      ASN  68  18.382 -11.636   7.847
 1681    HB3  ASN  68           HB3      ASN  68  17.180 -12.314   6.763
 1682   HD21  ASN  68          HD21      ASN  68  18.752 -13.117   5.361
 1683   HD22  ASN  68          HD22      ASN  68  19.653 -12.071   4.313
 1684    H    GLU  69           H        GLU  69  14.328 -10.565   7.343
 1685    HA   GLU  69           HA       GLU  69  13.944 -10.273   4.475
 1686    HB2  GLU  69           HB2      GLU  69  12.478 -12.380   4.606
 1687    HB3  GLU  69           HB3      GLU  69  14.222 -12.599   4.582
 1688    HG2  GLU  69           HG2      GLU  69  14.148 -12.759   7.078
 1689    HG3  GLU  69           HG3      GLU  69  12.390 -12.771   6.958
 1690    H    VAL  70           H        VAL  70  12.083  -9.389   3.907
 1691    HA   VAL  70           HA       VAL  70  10.413  -8.307   6.007
 1692    HB   VAL  70           HB       VAL  70  10.746  -7.747   3.076
 1693   HG11  VAL  70          HG11      VAL  70   8.321  -7.772   3.464
 1694   HG12  VAL  70          HG12      VAL  70   8.536  -6.659   4.816
 1695   HG13  VAL  70          HG13      VAL  70   8.921  -6.137   3.177
 1696   HG21  VAL  70          HG21      VAL  70  10.715  -5.922   5.449
 1697   HG22  VAL  70          HG22      VAL  70  12.171  -6.745   4.876
 1698   HG23  VAL  70          HG23      VAL  70  11.341  -5.592   3.828
 1699    H    ASP  71           H        ASP  71   8.571  -9.139   6.620
 1700    HA   ASP  71           HA       ASP  71   7.411 -11.368   5.182
 1701    HB2  ASP  71           HB2      ASP  71   7.720 -11.168   7.743
 1702    HB3  ASP  71           HB3      ASP  71   6.307 -10.115   7.698
 1703    H    PHE  72           H        PHE  72   4.684 -11.106   5.667
 1704    HA   PHE  72           HA       PHE  72   4.090  -9.774   3.260
 1705    HB2  PHE  72           HB2      PHE  72   2.885 -11.750   4.592
 1706    HB3  PHE  72           HB3      PHE  72   1.849 -10.417   5.093
 1707    HD1  PHE  72           HD2      PHE  72   2.611  -9.072   2.206
 1708    HD2  PHE  72           HD1      PHE  72   0.786 -12.667   3.567
 1709    HE1  PHE  72           HE2      PHE  72   1.403  -9.263   0.064
 1710    HE2  PHE  72           HE1      PHE  72  -0.425 -12.863   1.436
 1711    HZ   PHE  72           HZ       PHE  72  -0.118 -11.161  -0.318
 1712    H    GLN  73           H        GLN  73   3.038  -8.888   6.616
 1713    HA   GLN  73           HA       GLN  73   1.643  -6.601   5.641
 1714    HB2  GLN  73           HB2      GLN  73   1.253  -7.769   7.905
 1715    HB3  GLN  73           HB3      GLN  73   2.611  -6.819   8.488
 1716    HG2  GLN  73           HG2      GLN  73   1.451  -4.764   7.829
 1717    HG3  GLN  73           HG3      GLN  73   0.065  -5.730   7.334
 1718   HE21  GLN  73          HE21      GLN  73   2.038  -6.423  10.141
 1719   HE22  GLN  73          HE22      GLN  73   0.821  -6.061  11.318
 1720    H    GLU  74           H        GLU  74   4.932  -7.107   6.849
 1721    HA   GLU  74           HA       GLU  74   5.541  -4.336   7.014
 1722    HB2  GLU  74           HB2      GLU  74   6.782  -6.629   7.853
 1723    HB3  GLU  74           HB3      GLU  74   7.793  -6.137   6.502
 1724    HG2  GLU  74           HG2      GLU  74   8.801  -5.078   8.272
 1725    HG3  GLU  74           HG3      GLU  74   7.758  -3.802   7.630
 1726    H    TYR  75           H        TYR  75   5.565  -6.736   4.502
 1727    HA   TYR  75           HA       TYR  75   7.066  -5.259   2.596
 1728    HB2  TYR  75           HB2      TYR  75   6.739  -7.651   2.299
 1729    HB3  TYR  75           HB3      TYR  75   4.990  -7.438   2.222
 1730    HD1  TYR  75           HD2      TYR  75   3.942  -6.489   0.201
 1731    HD2  TYR  75           HD1      TYR  75   8.142  -7.157   0.428
 1732    HE1  TYR  75           HE2      TYR  75   4.108  -6.208  -2.235
 1733    HE2  TYR  75           HE1      TYR  75   8.315  -6.873  -2.015
 1734    HH   TYR  75           HH       TYR  75   5.764  -5.639  -3.914
 1735    H    CYS  76           H        CYS  76   3.680  -5.380   3.488
 1736    HA   CYS  76           HA       CYS  76   2.939  -3.776   1.231
 1737    HB2  CYS  76           HB2      CYS  76   1.266  -4.664   3.587
 1738    HB3  CYS  76           HB3      CYS  76   0.655  -3.992   2.075
 1739    HG   CYS  76           HG       CYS  76   2.283  -6.990   2.414
 1740    H    VAL  77           H        VAL  77   3.261  -3.290   4.756
 1741    HA   VAL  77           HA       VAL  77   2.471  -0.580   4.729
 1742    HB   VAL  77           HB       VAL  77   2.776  -1.719   6.863
 1743   HG11  VAL  77          HG11      VAL  77   4.572  -3.183   6.267
 1744   HG12  VAL  77          HG12      VAL  77   5.680  -1.820   6.102
 1745   HG13  VAL  77          HG13      VAL  77   5.025  -2.240   7.689
 1746   HG21  VAL  77          HG21      VAL  77   3.795   0.001   8.101
 1747   HG22  VAL  77          HG22      VAL  77   4.923   0.403   6.801
 1748   HG23  VAL  77          HG23      VAL  77   3.209   0.803   6.649
 1749    H    PHE  78           H        PHE  78   5.521  -2.193   4.058
 1750    HA   PHE  78           HA       PHE  78   7.219  -0.146   3.448
 1751    HB2  PHE  78           HB2      PHE  78   8.031  -2.318   3.111
 1752    HB3  PHE  78           HB3      PHE  78   6.648  -2.787   2.132
 1753    HD1  PHE  78           HD1      PHE  78   9.806  -0.961   2.185
 1754    HD2  PHE  78           HD2      PHE  78   6.602  -2.402  -0.221
 1755    HE1  PHE  78           HE1      PHE  78  11.134  -0.514   0.149
 1756    HE2  PHE  78           HE2      PHE  78   7.905  -1.958  -2.258
 1757    HZ   PHE  78           HZ       PHE  78  10.185  -1.017  -2.072
 1758    H    LEU  79           H        LEU  79   4.762  -1.536   1.331
 1759    HA   LEU  79           HA       LEU  79   5.114   0.178  -0.829
 1760    HB2  LEU  79           HB2      LEU  79   2.896  -1.563   0.119
 1761    HB3  LEU  79           HB3      LEU  79   2.604  -0.460  -1.213
 1762    HG   LEU  79           HG       LEU  79   5.018  -1.868  -1.749
 1763   HD11  LEU  79          HD11      LEU  79   2.669  -3.605  -1.021
 1764   HD12  LEU  79          HD12      LEU  79   4.102  -4.142  -1.899
 1765   HD13  LEU  79          HD13      LEU  79   4.249  -3.583  -0.235
 1766   HD21  LEU  79          HD21      LEU  79   3.163  -0.777  -3.165
 1767   HD22  LEU  79          HD22      LEU  79   3.995  -2.231  -3.773
 1768   HD23  LEU  79          HD23      LEU  79   2.380  -2.366  -3.047
 1769    H    SER  80           H        SER  80   2.854   0.363   1.883
 1770    HA   SER  80           HA       SER  80   1.572   2.676   0.824
 1771    HB2  SER  80           HB2      SER  80   0.632   2.717   3.240
 1772    HB3  SER  80           HB3      SER  80   0.210   1.386   2.161
 1773    HG   SER  80           HG       SER  80   0.948   0.180   3.703
 1774    H    CYS  81           H        CYS  81   4.285   2.049   2.842
 1775    HA   CYS  81           HA       CYS  81   4.567   4.731   3.758
 1776    HB2  CYS  81           HB2      CYS  81   6.466   2.396   3.704
 1777    HB3  CYS  81           HB3      CYS  81   6.866   3.967   4.399
 1778    HG   CYS  81           HG       CYS  81   4.602   1.686   5.491
 1779    H    ILE  82           H        ILE  82   5.307   3.114   0.810
 1780    HA   ILE  82           HA       ILE  82   7.030   5.268  -0.067
 1781    HB   ILE  82           HB       ILE  82   5.647   3.143  -1.741
 1782   HG12  ILE  82          HG12      ILE  82   8.284   3.284  -0.344
 1783   HG13  ILE  82          HG13      ILE  82   7.219   1.907  -0.597
 1784   HG21  ILE  82          HG21      ILE  82   7.803   5.147  -2.454
 1785   HG22  ILE  82          HG22      ILE  82   7.192   3.873  -3.511
 1786   HG23  ILE  82          HG23      ILE  82   6.126   5.184  -3.003
 1787   HD11  ILE  82          HD11      ILE  82   9.032   3.185  -2.635
 1788   HD12  ILE  82          HD12      ILE  82   9.254   1.619  -1.852
 1789   HD13  ILE  82          HD13      ILE  82   7.905   1.855  -2.969
 1790    H    ALA  83           H        ALA  83   3.770   4.116  -0.884
 1791    HA   ALA  83           HA       ALA  83   3.107   6.269  -2.549
 1792    HB1  ALA  83           HB1      ALA  83   1.944   4.107  -2.518
 1793    HB2  ALA  83           HB2      ALA  83   1.227   4.537  -0.966
 1794    HB3  ALA  83           HB3      ALA  83   0.840   5.480  -2.407
 1795    H    MET  84           H        MET  84   2.337   5.739   0.899
 1796    HA   MET  84           HA       MET  84   0.998   8.234   1.181
 1797    HB2  MET  84           HB2      MET  84   0.477   6.472   2.697
 1798    HB3  MET  84           HB3      MET  84   2.153   6.348   3.204
 1799    HG2  MET  84           HG2      MET  84   1.901   8.738   4.046
 1800    HG3  MET  84           HG3      MET  84   0.162   8.493   3.835
 1801    HE1  MET  84           HE1      MET  84   2.271   5.553   4.333
 1802    HE2  MET  84           HE2      MET  84   3.337   6.568   5.332
 1803    HE3  MET  84           HE3      MET  84   2.401   5.242   6.088
 1804    H    MET  85           H        MET  85   4.299   7.266   1.244
 1805    HA   MET  85           HA       MET  85   5.300   9.613   2.491
 1806    HB2  MET  85           HB2      MET  85   6.516   7.440   2.159
 1807    HB3  MET  85           HB3      MET  85   6.729   7.920   0.471
 1808    HG2  MET  85           HG2      MET  85   7.602  10.131   1.669
 1809    HG3  MET  85           HG3      MET  85   8.000   8.960   2.913
 1810    HE1  MET  85           HE1      MET  85  10.248   6.751   2.074
 1811    HE2  MET  85           HE2      MET  85   8.464   6.650   1.983
 1812    HE3  MET  85           HE3      MET  85   9.475   6.269   0.552
 1813    H    CYS  86           H        CYS  86   4.205   8.750  -0.686
 1814    HA   CYS  86           HA       CYS  86   5.341  10.905  -2.150
 1815    HB2  CYS  86           HB2      CYS  86   2.770   9.452  -2.807
 1816    HB3  CYS  86           HB3      CYS  86   3.825  10.309  -3.922
 1817    HG   CYS  86           HG       CYS  86   5.198   7.701  -2.287
 1818    H    ASN  87           H        ASN  87   2.818  10.705   0.091
 1819    HA   ASN  87           HA       ASN  87   0.752  12.224  -0.689
 1820    HB2  ASN  87           HB2      ASN  87   0.994  11.196   1.541
 1821    HB3  ASN  87           HB3      ASN  87   2.104  12.481   1.997
 1822   HD21  ASN  87          HD21      ASN  87  -0.730  12.999   0.019
 1823   HD22  ASN  87          HD22      ASN  87  -1.599  13.936   1.176
 1824    H    GLU  88           H        GLU  88   3.561  13.708   0.931
 1825    HA   GLU  88           HA       GLU  88   2.689  16.358   0.543
 1826    HB2  GLU  88           HB2      GLU  88   5.514  15.366   0.923
 1827    HB3  GLU  88           HB3      GLU  88   4.938  17.003   1.208
 1828    HG2  GLU  88           HG2      GLU  88   3.594  16.273   3.049
 1829    HG3  GLU  88           HG3      GLU  88   3.972  14.580   2.702
 1830    H    PHE  89           H        PHE  89   4.511  14.194  -1.478
 1831    HA   PHE  89           HA       PHE  89   5.659  16.273  -3.117
 1832    HB2  PHE  89           HB2      PHE  89   5.613  13.264  -3.460
 1833    HB3  PHE  89           HB3      PHE  89   6.560  14.381  -4.438
 1834    HD1  PHE  89           HD1      PHE  89   8.501  15.520  -3.491
 1835    HD2  PHE  89           HD2      PHE  89   6.286  12.670  -1.242
 1836    HE1  PHE  89           HE1      PHE  89  10.361  15.343  -1.890
 1837    HE2  PHE  89           HE2      PHE  89   8.139  12.489   0.367
 1838    HZ   PHE  89           HZ       PHE  89  10.182  13.825   0.041
 1839    H    PHE  90           H        PHE  90   3.252  13.709  -3.546
 1840    HA   PHE  90           HA       PHE  90   2.881  14.184  -6.296
 1841    HB2  PHE  90           HB2      PHE  90   1.594  12.308  -6.216
 1842    HB3  PHE  90           HB3      PHE  90   2.384  12.126  -4.668
 1843    HD1  PHE  90           HD1      PHE  90   1.193  12.503  -2.595
 1844    HD2  PHE  90           HD2      PHE  90  -0.764  12.894  -6.352
 1845    HE1  PHE  90           HE1      PHE  90  -0.989  12.438  -1.462
 1846    HE2  PHE  90           HE2      PHE  90  -2.946  12.827  -5.225
 1847    HZ   PHE  90           HZ       PHE  90  -3.063  12.605  -2.776
 1848    H    GLU  91           H        GLU  91   1.069  15.245  -3.429
 1849    HA   GLU  91           HA       GLU  91  -0.962  16.427  -5.152
 1850    HB2  GLU  91           HB2      GLU  91  -2.287  16.722  -3.214
 1851    HB3  GLU  91           HB3      GLU  91  -1.552  15.123  -3.098
 1852    HG2  GLU  91           HG2      GLU  91  -0.073  15.809  -1.418
 1853    HG3  GLU  91           HG3      GLU  91  -0.362  17.519  -1.738
 1854    H    GLY  92           H        GLY  92   1.834  17.302  -3.377
 1855    HA2  GLY  92           HA2      GLY  92   2.981  19.273  -3.182
 1856    HA3  GLY  92           HA3      GLY  92   2.144  19.745  -4.647
 1857    H    PHE  93           H        PHE  93   0.789  19.170  -1.397
 1858    HA   PHE  93           HA       PHE  93  -0.165  21.949  -1.483
 1859    HB2  PHE  93           HB2      PHE  93  -1.776  19.866  -1.326
 1860    HB3  PHE  93           HB3      PHE  93  -1.340  19.924   0.377
 1861    HD1  PHE  93           HD1      PHE  93  -1.792  22.040   1.671
 1862    HD2  PHE  93           HD2      PHE  93  -3.338  21.352  -2.232
 1863    HE1  PHE  93           HE1      PHE  93  -3.476  23.797   2.030
 1864    HE2  PHE  93           HE2      PHE  93  -5.024  23.106  -1.879
 1865    HZ   PHE  93           HZ       PHE  93  -5.095  24.332   0.254
 1866    HA   PRO  94           HA       PRO  94   2.795  22.398   1.775
 1867    HB2  PRO  94           HB2      PRO  94   2.685  25.078   1.986
 1868    HB3  PRO  94           HB3      PRO  94   3.431  24.283   0.595
 1869    HG2  PRO  94           HG2      PRO  94   0.723  25.517   0.845
 1870    HG3  PRO  94           HG3      PRO  94   1.869  25.593  -0.504
 1871    HD2  PRO  94           HD2      PRO  94  -0.298  23.902  -0.406
 1872    HD3  PRO  94           HD3      PRO  94   1.161  23.602  -1.369
 1873    H    ASP  95           H        ASP  95   0.429  21.444   2.679
 1874    HA   ASP  95           HA       ASP  95  -0.023  23.114   5.073
 1875    HB2  ASP  95           HB2      ASP  95  -2.261  22.485   5.197
 1876    HB3  ASP  95           HB3      ASP  95  -2.026  22.627   3.459
 1877    H    LYS  96           H        LYS  96   0.811  20.044   3.755
 1878    HA   LYS  96           HA       LYS  96   0.845  18.766   6.373
 1879    HB2  LYS  96           HB2      LYS  96   1.492  17.626   3.651
 1880    HB3  LYS  96           HB3      LYS  96   1.276  16.711   5.138
 1881    HG2  LYS  96           HG2      LYS  96  -1.036  17.211   5.215
 1882    HG3  LYS  96           HG3      LYS  96  -0.884  18.410   3.931
 1883    HD2  LYS  96           HD2      LYS  96  -0.243  16.611   2.371
 1884    HD3  LYS  96           HD3      LYS  96  -0.491  15.433   3.663
 1885    HE2  LYS  96           HE2      LYS  96  -2.448  15.500   2.260
 1886    HE3  LYS  96           HE3      LYS  96  -2.838  16.175   3.841
 1887    HZ1  LYS  96           HZ1      LYS  96  -2.460  17.598   1.274
 1888    HZ2  LYS  96           HZ2      LYS  96  -2.355  18.419   2.759
 1889    HZ3  LYS  96           HZ3      LYS  96  -3.790  17.634   2.325
 1890    H    GLN  97           H        GLN  97   2.791  20.615   4.540
 1891    HA   GLN  97           HA       GLN  97   5.086  20.244   6.123
 1892    HB2  GLN  97           HB2      GLN  97   5.356  18.208   4.780
 1893    HB3  GLN  97           HB3      GLN  97   5.259  19.151   3.305
 1894    HG2  GLN  97           HG2      GLN  97   7.543  18.583   3.715
 1895    HG3  GLN  97           HG3      GLN  97   7.338  20.315   3.947
 1896   HE21  GLN  97          HE21      GLN  97   9.374  18.448   4.930
 1897   HE22  GLN  97          HE22      GLN  97   9.375  18.620   6.654
 1898    HA   PRO  98           HA       PRO  98   4.837  24.242   3.790
 1899    HB2  PRO  98           HB2      PRO  98   4.841  25.511   6.402
 1900    HB3  PRO  98           HB3      PRO  98   3.628  25.624   5.126
 1901    HG2  PRO  98           HG2      PRO  98   3.190  24.363   7.503
 1902    HG3  PRO  98           HG3      PRO  98   2.368  23.921   5.996
 1903    HD2  PRO  98           HD2      PRO  98   4.704  22.612   7.338
 1904    HD3  PRO  98           HD3      PRO  98   3.312  21.869   6.522
 1905    H    ARG  99           H        ARG  99   6.973  23.809   3.183
 1906    HA   ARG  99           HA       ARG  99   9.066  25.078   4.622
 1907    HB2  ARG  99           HB2      ARG  99   8.721  23.069   6.046
 1908    HB3  ARG  99           HB3      ARG  99   9.052  22.052   4.655
 1909    HG2  ARG  99           HG2      ARG  99  11.323  22.861   4.557
 1910    HG3  ARG  99           HG3      ARG  99  11.002  23.987   5.882
 1911    HD2  ARG  99           HD2      ARG  99  10.507  22.119   7.361
 1912    HD3  ARG  99           HD3      ARG  99  10.786  20.985   6.043
 1913    HE   ARG  99           HE       ARG  99  13.111  22.442   6.272
 1914   HH11  ARG  99          HH12      ARG  99  11.171  20.443   8.386
 1915   HH12  ARG  99          HH11      ARG  99  12.531  19.811   9.266
 1916   HH21  ARG  99          HH22      ARG  99  14.913  21.625   7.413
 1917   HH22  ARG  99          HH21      ARG  99  14.665  20.503   8.726
 1918    H    LYS 100           H        LYS 100   9.231  22.013   2.859
 1919    HA   LYS 100           HA       LYS 100  10.713  23.315   0.732
 1920    HB2  LYS 100           HB2      LYS 100  10.099  20.428   1.338
 1921    HB3  LYS 100           HB3      LYS 100  10.855  20.930  -0.168
 1922    HG2  LYS 100           HG2      LYS 100  12.700  21.928   1.097
 1923    HG3  LYS 100           HG3      LYS 100  11.945  21.389   2.601
 1924    HD2  LYS 100           HD2      LYS 100  12.186  19.080   1.938
 1925    HD3  LYS 100           HD3      LYS 100  12.811  19.565   0.361
 1926    HE2  LYS 100           HE2      LYS 100  14.591  18.858   1.906
 1927    HE3  LYS 100           HE3      LYS 100  14.769  20.535   1.395
 1928    HZ1  LYS 100           HZ1      LYS 100  13.869  21.266   3.489
 1929    HZ2  LYS 100           HZ2      LYS 100  15.166  20.213   3.783
 1930    HZ3  LYS 100           HZ3      LYS 100  13.571  19.667   3.975
 1931    H    LYS 101           H        LYS 101   7.591  22.011   1.409
 1932    HA   LYS 101           HA       LYS 101   6.719  22.448  -1.338
 1933    HB2  LYS 101           HB2      LYS 101   5.234  21.403   1.086
 1934    HB3  LYS 101           HB3      LYS 101   4.499  21.644  -0.491
 1935    HG2  LYS 101           HG2      LYS 101   4.960  19.381  -0.468
 1936    HG3  LYS 101           HG3      LYS 101   6.336  20.048  -1.345
 1937    HD2  LYS 101           HD2      LYS 101   7.647  20.004   0.750
 1938    HD3  LYS 101           HD3      LYS 101   6.273  19.261   1.568
 1939    HE2  LYS 101           HE2      LYS 101   6.384  17.389  -0.054
 1940    HE3  LYS 101           HE3      LYS 101   7.839  18.112  -0.736
 1941    HZ1  LYS 101           HZ1      LYS 101   8.502  16.445   0.785
 1942    HZ2  LYS 101           HZ2      LYS 101   7.479  17.020   2.006
 1943    HZ3  LYS 101           HZ3      LYS 101   8.836  17.924   1.528
  Start of MODEL    5
    1    H1   GLN1897           H1       GLN1897 -17.159 -12.610   1.286
    2    H2   GLN1897           H2       GLN1897 -18.340 -12.930   0.111
    3    H3   GLN1897           H3       GLN1897 -18.802 -12.438   1.667
    4    HA   GLN1897           HA       GLN1897 -17.290 -10.809  -0.288
    5    HB2  GLN1897           HB2      GLN1897 -19.840 -11.281  -0.607
    6    HB3  GLN1897           HB3      GLN1897 -20.036 -10.201   0.772
    7    HG2  GLN1897           HG2      GLN1897 -18.312  -9.142  -1.349
    8    HG3  GLN1897           HG3      GLN1897 -19.993  -9.417  -1.825
    9   HE21  GLN1897          HE21      GLN1897 -18.541  -6.961  -1.543
   10   HE22  GLN1897          HE22      GLN1897 -19.408  -6.017  -0.384
   11    H    ARG1898           H        ARG1898 -17.352  -8.477   0.442
   12    HA   ARG1898           HA       ARG1898 -16.728  -6.872   1.862
   13    HB2  ARG1898           HB2      ARG1898 -18.871  -7.411   3.012
   14    HB3  ARG1898           HB3      ARG1898 -18.004  -8.564   4.003
   15    HG2  ARG1898           HG2      ARG1898 -16.661  -6.775   4.953
   16    HG3  ARG1898           HG3      ARG1898 -17.464  -5.605   3.906
   17    HD2  ARG1898           HD2      ARG1898 -18.489  -5.426   6.029
   18    HD3  ARG1898           HD3      ARG1898 -19.629  -6.286   4.994
   19    HE   ARG1898           HE       ARG1898 -18.207  -8.269   6.224
   20   HH11  ARG1898          HH12      ARG1898 -20.110  -5.535   7.317
   21   HH12  ARG1898          HH11      ARG1898 -20.560  -6.282   8.819
   22   HH21  ARG1898          HH22      ARG1898 -18.800  -9.252   8.196
   23   HH22  ARG1898          HH21      ARG1898 -19.829  -8.403   9.309
   24    H    GLU1899           H        GLU1899 -15.027  -8.584   0.993
   25    HA   GLU1899           HA       GLU1899 -13.289  -9.983   2.610
   26    HB2  GLU1899           HB2      GLU1899 -11.567  -8.929   0.925
   27    HB3  GLU1899           HB3      GLU1899 -12.808 -10.032   0.334
   28    HG2  GLU1899           HG2      GLU1899 -13.614  -7.225   0.468
   29    HG3  GLU1899           HG3      GLU1899 -12.337  -7.552  -0.694
   30    H    LEU1900           H        LEU1900 -13.855  -6.593   2.315
   31    HA   LEU1900           HA       LEU1900 -11.437  -5.576   3.257
   32    HB2  LEU1900           HB2      LEU1900 -14.237  -4.441   3.423
   33    HB3  LEU1900           HB3      LEU1900 -12.796  -3.576   3.888
   34    HG   LEU1900           HG       LEU1900 -13.372  -2.771   1.793
   35   HD11  LEU1900          HD11      LEU1900 -11.017  -3.107   2.059
   36   HD12  LEU1900          HD12      LEU1900 -11.154  -4.748   1.424
   37   HD13  LEU1900          HD13      LEU1900 -11.489  -3.365   0.380
   38   HD21  LEU1900          HD21      LEU1900 -13.843  -4.026  -0.140
   39   HD22  LEU1900          HD22      LEU1900 -13.455  -5.539   0.682
   40   HD23  LEU1900          HD23      LEU1900 -14.869  -4.609   1.172
   41    H    GLU1901           H        GLU1901 -14.059  -7.112   4.914
   42    HA   GLU1901           HA       GLU1901 -13.529  -6.223   7.547
   43    HB2  GLU1901           HB2      GLU1901 -15.592  -7.375   7.026
   44    HB3  GLU1901           HB3      GLU1901 -14.707  -8.798   6.501
   45    HG2  GLU1901           HG2      GLU1901 -13.890  -9.109   8.802
   46    HG3  GLU1901           HG3      GLU1901 -14.871  -7.732   9.307
   47    H    ASP1902           H        ASP1902 -12.446  -9.063   5.737
   48    HA   ASP1902           HA       ASP1902 -10.696  -9.950   7.853
   49    HB2  ASP1902           HB2      ASP1902 -11.927 -11.527   6.387
   50    HB3  ASP1902           HB3      ASP1902 -11.010 -10.939   5.007
   51    H    ALA1903           H        ALA1903 -10.501  -8.062   4.992
   52    HA   ALA1903           HA       ALA1903  -7.641  -8.313   4.680
   53    HB1  ALA1903           HB1      ALA1903  -9.713  -6.655   3.254
   54    HB2  ALA1903           HB2      ALA1903  -7.998  -6.670   2.842
   55    HB3  ALA1903           HB3      ALA1903  -8.954  -8.146   2.687
   56    H    THR1904           H        THR1904  -9.759  -5.447   5.054
   57    HA   THR1904           HA       THR1904  -7.408  -3.917   5.730
   58    HB   THR1904           HB       THR1904  -8.948  -1.949   5.688
   59    HG1  THR1904           HG1      THR1904 -10.817  -3.848   5.796
   60   HG21  THR1904          HG21      THR1904  -9.278  -1.990   3.260
   61   HG22  THR1904          HG22      THR1904  -8.991  -3.731   3.251
   62   HG23  THR1904          HG23      THR1904  -7.693  -2.625   3.705
   63    H    GLU1905           H        GLU1905  -9.172  -5.835   7.629
   64    HA   GLU1905           HA       GLU1905  -9.634  -4.191   9.888
   65    HB2  GLU1905           HB2      GLU1905  -9.429  -6.243  11.222
   66    HB3  GLU1905           HB3      GLU1905 -10.508  -6.456   9.849
   67    HG2  GLU1905           HG2      GLU1905  -8.837  -7.707   8.670
   68    HG3  GLU1905           HG3      GLU1905  -7.636  -7.345   9.915
   69    H    THR1906           H        THR1906  -6.873  -5.801   8.539
   70    HA   THR1906           HA       THR1906  -5.116  -5.207  10.726
   71    HB   THR1906           HB       THR1906  -4.109  -5.991   8.021
   72    HG1  THR1906           HG1      THR1906  -5.138  -7.876   8.059
   73   HG21  THR1906          HG21      THR1906  -2.566  -5.745   9.912
   74   HG22  THR1906          HG22      THR1906  -2.654  -7.425   9.381
   75   HG23  THR1906          HG23      THR1906  -3.512  -6.912  10.835
   76    H    ALA1907           H        ALA1907  -6.451  -3.356   8.317
   77    HA   ALA1907           HA       ALA1907  -4.285  -1.793   7.474
   78    HB1  ALA1907           HB1      ALA1907  -5.949  -0.066   6.896
   79    HB2  ALA1907           HB2      ALA1907  -6.420  -1.673   6.317
   80    HB3  ALA1907           HB3      ALA1907  -7.179  -0.993   7.759
   81    H    ASP1908           H        ASP1908  -6.557  -1.395  10.142
   82    HA   ASP1908           HA       ASP1908  -5.543   0.859  11.371
   83    HB2  ASP1908           HB2      ASP1908  -7.560  -0.430  12.089
   84    HB3  ASP1908           HB3      ASP1908  -6.501  -1.665  12.756
   85    H    ALA1909           H        ALA1909  -4.316  -2.471  11.498
   86    HA   ALA1909           HA       ALA1909  -2.313  -1.989  13.455
   87    HB1  ALA1909           HB1      ALA1909  -1.376  -4.127  12.770
   88    HB2  ALA1909           HB2      ALA1909  -3.130  -4.238  12.922
   89    HB3  ALA1909           HB3      ALA1909  -2.389  -4.124  11.326
   90    H    MET1910           H        MET1910  -1.810  -2.656   9.968
   91    HA   MET1910           HA       MET1910   0.730  -1.761   9.645
   92    HB2  MET1910           HB2      MET1910  -0.289  -2.728   7.777
   93    HB3  MET1910           HB3      MET1910  -1.641  -1.608   7.811
   94    HG2  MET1910           HG2      MET1910  -0.193   0.204   7.022
   95    HG3  MET1910           HG3      MET1910   1.199  -0.886   7.054
   96    HE1  MET1910           HE1      MET1910  -0.429  -3.565   6.093
   97    HE2  MET1910           HE2      MET1910  -0.052  -3.563   4.369
   98    HE3  MET1910           HE3      MET1910   1.213  -3.203   5.549
   99    H    ASN1911           H        ASN1911  -2.104   0.298   9.998
  100    HA   ASN1911           HA       ASN1911  -0.939   2.643   8.929
  101    HB2  ASN1911           HB2      ASN1911  -3.379   2.278   9.333
  102    HB3  ASN1911           HB3      ASN1911  -3.065   2.479  11.045
  103   HD21  ASN1911          HD21      ASN1911  -3.119   4.018   7.968
  104   HD22  ASN1911          HD22      ASN1911  -3.118   5.631   8.549
  105    H    ARG1912           H        ARG1912  -0.878   1.278  12.177
  106    HA   ARG1912           HA       ARG1912   0.053   3.635  13.427
  107    HB2  ARG1912           HB2      ARG1912  -0.028   0.737  14.194
  108    HB3  ARG1912           HB3      ARG1912   0.661   1.960  15.229
  109    HG2  ARG1912           HG2      ARG1912  -2.169   1.531  14.432
  110    HG3  ARG1912           HG3      ARG1912  -1.494   1.844  16.034
  111    HD2  ARG1912           HD2      ARG1912  -0.994   4.160  15.332
  112    HD3  ARG1912           HD3      ARG1912  -1.757   3.830  13.771
  113    HE   ARG1912           HE       ARG1912  -3.201   3.733  16.351
  114   HH11  ARG1912          HH12      ARG1912  -3.033   4.581  12.960
  115   HH12  ARG1912          HH11      ARG1912  -4.648   5.212  12.901
  116   HH21  ARG1912          HH22      ARG1912  -5.319   4.607  16.293
  117   HH22  ARG1912          HH21      ARG1912  -5.937   5.238  14.795
  118    H    GLU1913           H        GLU1913   1.605   0.732  12.211
  119    HA   GLU1913           HA       GLU1913   4.242   1.683  12.791
  120    HB2  GLU1913           HB2      GLU1913   4.974  -0.230  11.396
  121    HB3  GLU1913           HB3      GLU1913   3.856  -0.692  12.673
  122    HG2  GLU1913           HG2      GLU1913   2.025  -0.682  11.024
  123    HG3  GLU1913           HG3      GLU1913   3.207  -0.329   9.753
  124    H    VAL1914           H        VAL1914   2.139   1.692   9.937
  125    HA   VAL1914           HA       VAL1914   4.046   2.245   7.980
  126    HB   VAL1914           HB       VAL1914   1.515   1.702   7.716
  127   HG11  VAL1914          HG11      VAL1914   0.076   3.626   7.274
  128   HG12  VAL1914          HG12      VAL1914   0.632   3.607   8.952
  129   HG13  VAL1914          HG13      VAL1914   1.378   4.706   7.783
  130   HG21  VAL1914          HG21      VAL1914   2.796   3.745   5.922
  131   HG22  VAL1914          HG22      VAL1914   2.973   1.992   5.814
  132   HG23  VAL1914          HG23      VAL1914   1.403   2.741   5.517
  133    H    SER1915           H        SER1915   2.430   4.383  10.215
  134    HA   SER1915           HA       SER1915   3.137   6.764   8.849
  135    HB2  SER1915           HB2      SER1915   2.401   7.797  11.054
  136    HB3  SER1915           HB3      SER1915   1.231   6.799  10.182
  137    HG   SER1915           HG       SER1915   1.140   5.551  11.853
  138    H    SER1916           H        SER1916   4.441   4.917  11.558
  139    HA   SER1916           HA       SER1916   6.758   6.528  11.940
  140    HB2  SER1916           HB2      SER1916   6.233   3.616  12.593
  141    HB3  SER1916           HB3      SER1916   7.525   4.596  13.255
  142    HG   SER1916           HG       SER1916   5.410   4.293  14.465
  143    H    LEU1917           H        LEU1917   5.871   3.832   9.933
  144    HA   LEU1917           HA       LEU1917   8.414   2.960   9.164
  145    HB2  LEU1917           HB2      LEU1917   6.213   1.704   9.034
  146    HB3  LEU1917           HB3      LEU1917   5.860   2.653   7.607
  147    HG   LEU1917           HG       LEU1917   6.975   0.197   7.532
  148   HD11  LEU1917          HD11      LEU1917   6.122   1.464   5.621
  149   HD12  LEU1917          HD12      LEU1917   7.598   2.434   5.622
  150   HD13  LEU1917          HD13      LEU1917   7.677   0.709   5.268
  151   HD21  LEU1917          HD21      LEU1917   9.215   2.180   7.477
  152   HD22  LEU1917          HD22      LEU1917   8.966   0.901   8.667
  153   HD23  LEU1917          HD23      LEU1917   9.334   0.486   6.994
  154    H    LYS1918           H        LYS1918   5.972   4.746   7.286
  155    HA   LYS1918           HA       LYS1918   7.715   5.362   5.196
  156    HB2  LYS1918           HB2      LYS1918   5.834   6.092   4.264
  157    HB3  LYS1918           HB3      LYS1918   5.015   5.790   5.785
  158    HG2  LYS1918           HG2      LYS1918   6.416   8.374   5.261
  159    HG3  LYS1918           HG3      LYS1918   4.777   8.076   4.679
  160    HD2  LYS1918           HD2      LYS1918   3.890   8.381   6.718
  161    HD3  LYS1918           HD3      LYS1918   5.091   7.319   7.461
  162    HE2  LYS1918           HE2      LYS1918   6.575   8.993   7.847
  163    HE3  LYS1918           HE3      LYS1918   5.950   9.995   6.541
  164    HZ1  LYS1918           HZ1      LYS1918   4.468   9.492   9.067
  165    HZ2  LYS1918           HZ2      LYS1918   4.092  10.623   7.856
  166    HZ3  LYS1918           HZ3      LYS1918   5.469  10.837   8.819
  167    H    ASN1919           H        ASN1919   7.560   6.534   8.346
  168    HA   ASN1919           HA       ASN1919   8.833   9.078   7.891
  169    HB2  ASN1919           HB2      ASN1919   7.381   9.101   9.735
  170    HB3  ASN1919           HB3      ASN1919   7.956   7.549  10.326
  171   HD21  ASN1919          HD21      ASN1919   8.578  10.967  10.166
  172   HD22  ASN1919          HD22      ASN1919   9.799  10.996  11.389
  173    H    LYS1920           H        LYS1920   9.818   5.809   8.879
  174    HA   LYS1920           HA       LYS1920  12.472   6.728   9.526
  175    HB2  LYS1920           HB2      LYS1920  12.908   4.127   9.503
  176    HB3  LYS1920           HB3      LYS1920  12.118   4.906  10.856
  177    HG2  LYS1920           HG2      LYS1920   9.930   4.190   9.933
  178    HG3  LYS1920           HG3      LYS1920  10.780   3.295   8.659
  179    HD2  LYS1920           HD2      LYS1920  11.841   1.881  10.279
  180    HD3  LYS1920           HD3      LYS1920  11.272   2.881  11.616
  181    HE2  LYS1920           HE2      LYS1920   8.972   2.253  11.122
  182    HE3  LYS1920           HE3      LYS1920   9.515   1.294   9.749
  183    HZ1  LYS1920           HZ1      LYS1920  10.710  -0.155  11.266
  184    HZ2  LYS1920           HZ2      LYS1920   9.068  -0.078  11.689
  185    HZ3  LYS1920           HZ3      LYS1920  10.214   0.782  12.592
  186    H    LEU1921           H        LEU1921  10.749   5.386   6.858
  187    HA   LEU1921           HA       LEU1921  13.064   4.977   5.235
  188    HB2  LEU1921           HB2      LEU1921  10.202   5.420   4.377
  189    HB3  LEU1921           HB3      LEU1921  11.491   4.760   3.391
  190    HG   LEU1921           HG       LEU1921   9.962   3.466   5.610
  191   HD11  LEU1921          HD11      LEU1921  10.867   2.513   2.905
  192   HD12  LEU1921          HD12      LEU1921   9.792   1.664   4.016
  193   HD13  LEU1921          HD13      LEU1921   9.278   3.186   3.280
  194   HD21  LEU1921          HD21      LEU1921  12.297   3.189   6.258
  195   HD22  LEU1921          HD22      LEU1921  11.597   1.663   5.714
  196   HD23  LEU1921          HD23      LEU1921  12.674   2.567   4.650
  197    H    ARG1922           H        ARG1922  11.166   7.621   6.201
  198    HA   ARG1922           HA       ARG1922  12.300   9.436   4.229
  199    HB2  ARG1922           HB2      ARG1922  10.092   9.519   6.208
  200    HB3  ARG1922           HB3      ARG1922  10.878  11.041   5.847
  201    HG2  ARG1922           HG2      ARG1922   9.610   9.200   3.837
  202    HG3  ARG1922           HG3      ARG1922   8.899  10.685   4.473
  203    HD2  ARG1922           HD2      ARG1922  11.395  10.431   2.802
  204    HD3  ARG1922           HD3      ARG1922   9.854  11.129   2.312
  205    HE   ARG1922           HE       ARG1922  11.886  12.367   3.982
  206   HH11  ARG1922          HH12      ARG1922   8.602  12.486   2.778
  207   HH12  ARG1922          HH11      ARG1922   8.363  14.155   3.209
  208   HH21  ARG1922          HH22      ARG1922  11.588  14.544   4.548
  209   HH22  ARG1922          HH21      ARG1922  10.070  15.327   4.216
  210    H    ARG1923           H        ARG1923  13.443   8.079   6.931
  211    HA   ARG1923           HA       ARG1923  14.145  10.305   8.545
  212    HB2  ARG1923           HB2      ARG1923  13.961   7.890   9.277
  213    HB3  ARG1923           HB3      ARG1923  15.526   7.626   8.520
  214    HG2  ARG1923           HG2      ARG1923  16.582   9.157  10.029
  215    HG3  ARG1923           HG3      ARG1923  15.023   9.629  10.708
  216    HD2  ARG1923           HD2      ARG1923  16.082   8.080  12.209
  217    HD3  ARG1923           HD3      ARG1923  14.695   7.291  11.460
  218    HE   ARG1923           HE       ARG1923  17.353   6.864  10.297
  219   HH11  ARG1923          HH12      ARG1923  14.570   5.592  12.033
  220   HH12  ARG1923          HH11      ARG1923  15.105   3.937  11.907
  221   HH21  ARG1923          HH22      ARG1923  18.046   4.699  10.166
  222   HH22  ARG1923          HH21      ARG1923  17.086   3.431  10.868
  223    H    GLY1924           H        GLY1924  15.972   8.407   6.147
  224    HA2  GLY1924           HA2      GLY1924  17.267  10.045   4.664
  225    HA3  GLY1924           HA3      GLY1924  18.023  10.528   6.181
  226    H    ASP1925           H        ASP1925  17.685   7.656   7.021
  227    HA   ASP1925           HA       ASP1925  20.208   6.623   6.315
  228    HB2  ASP1925           HB2      ASP1925  17.751   5.254   7.434
  229    HB3  ASP1925           HB3      ASP1925  19.356   4.536   7.372
  230    H    LEU1926           H        LEU1926  17.150   6.567   4.807
  231    HA   LEU1926           HA       LEU1926  17.372   4.097   3.438
  232    HB2  LEU1926           HB2      LEU1926  15.515   6.405   3.405
  233    HB3  LEU1926           HB3      LEU1926  15.522   5.360   2.000
  234    HG   LEU1926           HG       LEU1926  14.259   4.959   4.575
  235   HD11  LEU1926          HD11      LEU1926  13.072   3.265   3.271
  236   HD12  LEU1926          HD12      LEU1926  13.198   4.784   2.384
  237   HD13  LEU1926          HD13      LEU1926  14.248   3.429   1.966
  238   HD21  LEU1926          HD21      LEU1926  16.028   2.704   3.597
  239   HD22  LEU1926          HD22      LEU1926  16.283   3.638   5.074
  240   HD23  LEU1926          HD23      LEU1926  14.848   2.626   4.905
  241    HA   PRO1927           HA       PRO1927  19.525   5.498  -0.228
  242    HB2  PRO1927           HB2      PRO1927  19.408   3.192  -1.569
  243    HB3  PRO1927           HB3      PRO1927  20.434   3.357  -0.143
  244    HG2  PRO1927           HG2      PRO1927  17.751   2.067  -0.412
  245    HG3  PRO1927           HG3      PRO1927  19.169   1.525   0.505
  246    HD2  PRO1927           HD2      PRO1927  17.004   2.853   1.592
  247    HD3  PRO1927           HD3      PRO1927  18.624   2.799   2.314
  248    H    PHE1928           H        PHE1928  16.314   4.400   0.101
  249    HA   PHE1928           HA       PHE1928  15.649   5.178  -2.649
  250    HB2  PHE1928           HB2      PHE1928  14.556   3.238  -2.949
  251    HB3  PHE1928           HB3      PHE1928  15.352   2.683  -1.505
  252    HD1  PHE1928           HD2      PHE1928  12.383   4.562  -2.540
  253    HD2  PHE1928           HD1      PHE1928  14.069   1.791   0.165
  254    HE1  PHE1928           HE2      PHE1928  10.178   4.252  -1.489
  255    HE2  PHE1928           HE1      PHE1928  11.892   1.477   1.226
  256    HZ   PHE1928           HZ       PHE1928   9.991   2.556   0.393
  257    H    VAL1929           H        VAL1929  13.726   6.275  -2.974
  258    HA   VAL1929           HA       VAL1929  11.965   6.961  -0.903
  259    HB   VAL1929           HB       VAL1929  13.818   8.188  -0.064
  260   HG11  VAL1929          HG11      VAL1929  15.163   8.443  -1.970
  261   HG12  VAL1929          HG12      VAL1929  13.882   9.304  -2.831
  262   HG13  VAL1929          HG13      VAL1929  14.723  10.085  -1.484
  263   HG21  VAL1929          HG21      VAL1929  11.612   9.153   0.171
  264   HG22  VAL1929          HG22      VAL1929  12.880  10.384   0.092
  265   HG23  VAL1929          HG23      VAL1929  11.878  10.062  -1.322
  266    H    VAL1930           H        VAL1930  10.403   8.414  -1.507
  267    HA   VAL1930           HA       VAL1930   9.617   8.214  -4.227
  268    HB   VAL1930           HB       VAL1930   8.454   9.936  -2.041
  269   HG11  VAL1930          HG11      VAL1930   7.400   9.155  -4.752
  270   HG12  VAL1930          HG12      VAL1930   6.413   9.864  -3.474
  271   HG13  VAL1930          HG13      VAL1930   7.750  10.780  -4.165
  272   HG21  VAL1930          HG21      VAL1930   6.802   8.149  -1.837
  273   HG22  VAL1930          HG22      VAL1930   7.679   7.209  -3.043
  274   HG23  VAL1930          HG23      VAL1930   8.433   7.570  -1.490
  275    HA   PRO1931           HA       PRO1931  11.406  12.045  -5.790
  276    HB2  PRO1931           HB2      PRO1931  10.373  11.840  -8.267
  277    HB3  PRO1931           HB3      PRO1931  11.723  10.828  -7.733
  278    HG2  PRO1931           HG2      PRO1931   8.805  10.158  -7.909
  279    HG3  PRO1931           HG3      PRO1931  10.211   9.186  -8.395
  280    HD2  PRO1931           HD2      PRO1931   8.877   8.831  -6.049
  281    HD3  PRO1931           HD3      PRO1931  10.599   8.461  -6.259
  282    H    ARG1932           H        ARG1932  10.424  13.996  -6.993
  283    HA   ARG1932           HA       ARG1932   8.196  14.855  -5.458
  284    HB2  ARG1932           HB2      ARG1932   9.781  16.140  -7.651
  285    HB3  ARG1932           HB3      ARG1932   8.313  16.895  -7.050
  286    HG2  ARG1932           HG2      ARG1932  10.140  17.889  -5.915
  287    HG3  ARG1932           HG3      ARG1932   9.319  16.841  -4.762
  288    HD2  ARG1932           HD2      ARG1932  11.715  16.593  -4.548
  289    HD3  ARG1932           HD3      ARG1932  11.009  15.102  -5.170
  290    HE   ARG1932           HE       ARG1932  11.954  16.893  -7.226
  291   HH11  ARG1932          HH12      ARG1932  12.822  14.287  -5.036
  292   HH12  ARG1932          HH11      ARG1932  14.202  13.795  -5.974
  293   HH21  ARG1932          HH22      ARG1932  13.775  16.240  -8.454
  294   HH22  ARG1932          HH21      ARG1932  14.733  14.890  -7.914
  295    H    ARG1933           H        ARG1933   8.601  13.780  -8.739
  296    HA   ARG1933           HA       ARG1933   5.672  13.473  -8.844
  297    HB2  ARG1933           HB2      ARG1933   5.810  13.664 -11.308
  298    HB3  ARG1933           HB3      ARG1933   6.317  15.144 -10.508
  299    HG2  ARG1933           HG2      ARG1933   8.638  14.608 -10.896
  300    HG3  ARG1933           HG3      ARG1933   8.191  13.047 -11.587
  301    HD2  ARG1933           HD2      ARG1933   7.408  15.741 -12.700
  302    HD3  ARG1933           HD3      ARG1933   8.719  14.731 -13.307
  303    HE   ARG1933           HE       ARG1933   6.660  13.057 -13.507
  304   HH11  ARG1933          HH12      ARG1933   6.913  16.429 -14.399
  305   HH12  ARG1933          HH11      ARG1933   5.796  16.290 -15.724
  306   HH21  ARG1933          HH22      ARG1933   5.196  12.866 -15.266
  307   HH22  ARG1933          HH21      ARG1933   4.818  14.284 -16.210
  308    H    MET1934           H        MET1934   5.104  11.557 -10.340
  309    HA   MET1934           HA       MET1934   6.583   9.295  -9.483
  310    HB2  MET1934           HB2      MET1934   4.436   9.578 -11.586
  311    HB3  MET1934           HB3      MET1934   5.118   8.032 -11.088
  312    HG2  MET1934           HG2      MET1934   3.647   9.990  -9.338
  313    HG3  MET1934           HG3      MET1934   3.049   8.435  -9.920
  314    HE1  MET1934           HE1      MET1934   3.740   8.136  -5.969
  315    HE2  MET1934           HE2      MET1934   3.647   9.745  -6.693
  316    HE3  MET1934           HE3      MET1934   2.505   8.491  -7.175
  317    H    ALA1935           H        ALA1935   6.896  11.456 -12.069
  318    HA   ALA1935           HA       ALA1935   8.720  11.922 -13.305
  319    HB1  ALA1935           HB1      ALA1935  10.852  11.111 -12.522
  320    HB2  ALA1935           HB2      ALA1935   9.821  11.502 -11.138
  321    HB3  ALA1935           HB3      ALA1935  10.065   9.818 -11.618
  322    H    MET   1           H1       MET   1   2.204  -3.213 -21.331
  323    HA   MET   1           HA       MET   1   0.857  -3.807 -19.437
  324    HB2  MET   1           HB2      MET   1   3.373  -5.239 -18.549
  325    HB3  MET   1           HB3      MET   1   1.984  -4.936 -17.516
  326    HG2  MET   1           HG2      MET   1   0.595  -6.326 -18.923
  327    HG3  MET   1           HG3      MET   1   1.936  -6.573 -20.040
  328    HE1  MET   1           HE1      MET   1   1.861  -8.180 -15.711
  329    HE2  MET   1           HE2      MET   1   2.077  -6.472 -16.097
  330    HE3  MET   1           HE3      MET   1   0.541  -7.266 -16.441
  331    H    ALA   2           H        ALA   2   1.039  -2.627 -17.372
  332    HA   ALA   2           HA       ALA   2   2.999  -0.456 -17.553
  333    HB1  ALA   2           HB1      ALA   2   0.711  -0.854 -15.620
  334    HB2  ALA   2           HB2      ALA   2   1.685   0.606 -15.797
  335    HB3  ALA   2           HB3      ALA   2   0.628   0.086 -17.112
  336    H    CYS   3           H        CYS   3   4.595  -0.115 -15.953
  337    HA   CYS   3           HA       CYS   3   5.773  -2.162 -14.606
  338    HB2  CYS   3           HB2      CYS   3   5.681   0.721 -13.692
  339    HB3  CYS   3           HB3      CYS   3   6.904  -0.469 -13.260
  340    HG   CYS   3           HG       CYS   3   7.370   1.671 -15.411
  341    HA   PRO   4           HA       PRO   4   2.218  -3.210 -12.137
  342    HB2  PRO   4           HB2      PRO   4   4.324  -4.963 -10.934
  343    HB3  PRO   4           HB3      PRO   4   2.691  -5.384 -11.480
  344    HG2  PRO   4           HG2      PRO   4   4.725  -6.045 -12.997
  345    HG3  PRO   4           HG3      PRO   4   3.305  -5.297 -13.750
  346    HD2  PRO   4           HD2      PRO   4   5.941  -4.060 -13.036
  347    HD3  PRO   4           HD3      PRO   4   4.968  -3.863 -14.511
  348    H    LEU   5           H        LEU   5   5.286  -3.368 -10.332
  349    HA   LEU   5           HA       LEU   5   4.042  -2.684  -7.891
  350    HB2  LEU   5           HB2      LEU   5   6.427  -3.790  -8.589
  351    HB3  LEU   5           HB3      LEU   5   6.934  -2.176  -8.135
  352    HG   LEU   5           HG       LEU   5   7.117  -3.787  -6.275
  353   HD11  LEU   5          HD11      LEU   5   5.968  -2.462  -4.579
  354   HD12  LEU   5          HD12      LEU   5   6.783  -1.439  -5.759
  355   HD13  LEU   5          HD13      LEU   5   5.036  -1.656  -5.841
  356   HD21  LEU   5          HD21      LEU   5   4.119  -3.953  -6.514
  357   HD22  LEU   5          HD22      LEU   5   5.269  -5.251  -6.843
  358   HD23  LEU   5          HD23      LEU   5   5.085  -4.630  -5.203
  359    H    GLU   6           H        GLU   6   5.672  -0.817 -10.386
  360    HA   GLU   6           HA       GLU   6   5.995   1.546  -8.911
  361    HB2  GLU   6           HB2      GLU   6   7.164   1.192 -11.024
  362    HB3  GLU   6           HB3      GLU   6   5.634   1.222 -11.889
  363    HG2  GLU   6           HG2      GLU   6   5.299   3.536 -11.297
  364    HG3  GLU   6           HG3      GLU   6   6.757   3.523 -10.308
  365    H    LYS   7           H        LYS   7   3.428   0.541 -11.154
  366    HA   LYS   7           HA       LYS   7   1.868   2.835 -10.916
  367    HB2  LYS   7           HB2      LYS   7   1.303   0.016 -11.719
  368    HB3  LYS   7           HB3      LYS   7  -0.046   1.103 -11.452
  369    HG2  LYS   7           HG2      LYS   7   1.168   0.759 -13.817
  370    HG3  LYS   7           HG3      LYS   7   0.311   2.228 -13.364
  371    HD2  LYS   7           HD2      LYS   7   3.253   1.904 -12.840
  372    HD3  LYS   7           HD3      LYS   7   2.661   2.417 -14.421
  373    HE2  LYS   7           HE2      LYS   7   2.035   3.799 -11.810
  374    HE3  LYS   7           HE3      LYS   7   3.296   4.303 -12.933
  375    HZ1  LYS   7           HZ1      LYS   7   0.457   4.081 -13.751
  376    HZ2  LYS   7           HZ2      LYS   7   1.715   4.906 -14.535
  377    HZ3  LYS   7           HZ3      LYS   7   1.092   5.495 -13.067
  378    H    ALA   8           H        ALA   8   2.052  -0.016  -8.865
  379    HA   ALA   8           HA       ALA   8  -0.216   0.207  -7.340
  380    HB1  ALA   8           HB1      ALA   8   1.424  -1.579  -7.071
  381    HB2  ALA   8           HB2      ALA   8   2.539  -0.440  -6.315
  382    HB3  ALA   8           HB3      ALA   8   1.013  -0.836  -5.526
  383    H    LEU   9           H        LEU   9   2.824   2.007  -6.844
  384    HA   LEU   9           HA       LEU   9   1.718   3.476  -4.634
  385    HB2  LEU   9           HB2      LEU   9   4.212   4.047  -6.235
  386    HB3  LEU   9           HB3      LEU   9   3.774   4.802  -4.716
  387    HG   LEU   9           HG       LEU   9   5.318   3.232  -4.043
  388   HD11  LEU   9          HD11      LEU   9   2.674   1.800  -3.898
  389   HD12  LEU   9          HD12      LEU   9   4.106   1.418  -2.936
  390   HD13  LEU   9          HD13      LEU   9   3.304   2.977  -2.744
  391   HD21  LEU   9          HD21      LEU   9   4.105   1.235  -5.940
  392   HD22  LEU   9          HD22      LEU   9   5.599   2.142  -6.210
  393   HD23  LEU   9          HD23      LEU   9   5.498   0.969  -4.894
  394    H    ASP  10           H        ASP  10   2.505   4.234  -7.996
  395    HA   ASP  10           HA       ASP  10   1.846   6.932  -8.007
  396    HB2  ASP  10           HB2      ASP  10   2.974   6.084  -9.899
  397    HB3  ASP  10           HB3      ASP  10   1.771   4.825 -10.153
  398    H    VAL  11           H        VAL  11  -0.234   4.129  -8.617
  399    HA   VAL  11           HA       VAL  11  -2.452   5.717  -9.405
  400    HB   VAL  11           HB       VAL  11  -3.753   3.718  -9.453
  401   HG11  VAL  11          HG11      VAL  11  -0.933   3.152 -10.352
  402   HG12  VAL  11          HG12      VAL  11  -2.388   2.340 -10.931
  403   HG13  VAL  11          HG13      VAL  11  -2.149   4.059 -11.252
  404   HG21  VAL  11          HG21      VAL  11  -3.107   2.756  -7.321
  405   HG22  VAL  11          HG22      VAL  11  -2.904   1.573  -8.615
  406   HG23  VAL  11          HG23      VAL  11  -1.497   2.400  -7.948
  407    H    MET  12           H        MET  12  -1.295   4.649  -6.287
  408    HA   MET  12           HA       MET  12  -3.708   4.806  -4.861
  409    HB2  MET  12           HB2      MET  12  -0.915   5.506  -3.941
  410    HB3  MET  12           HB3      MET  12  -2.307   5.409  -2.874
  411    HG2  MET  12           HG2      MET  12  -2.539   3.006  -3.801
  412    HG3  MET  12           HG3      MET  12  -0.866   3.223  -4.305
  413    HE1  MET  12           HE1      MET  12  -0.011   1.260  -2.953
  414    HE2  MET  12           HE2      MET  12  -0.259   1.020  -1.217
  415    HE3  MET  12           HE3      MET  12  -1.618   0.859  -2.333
  416    H    VAL  13           H        VAL  13  -1.238   7.331  -5.358
  417    HA   VAL  13           HA       VAL  13  -2.991   9.340  -4.267
  418    HB   VAL  13           HB       VAL  13  -1.213  10.935  -4.731
  419   HG11  VAL  13          HG11      VAL  13  -1.092   9.557  -2.703
  420   HG12  VAL  13          HG12      VAL  13  -0.121   8.371  -3.580
  421   HG13  VAL  13          HG13      VAL  13   0.514   9.996  -3.305
  422   HG21  VAL  13          HG21      VAL  13   0.180   8.638  -6.093
  423   HG22  VAL  13          HG22      VAL  13  -0.438  10.101  -6.861
  424   HG23  VAL  13          HG23      VAL  13   0.905  10.203  -5.722
  425    H    SER  14           H        SER  14  -2.364   8.041  -7.393
  426    HA   SER  14           HA       SER  14  -3.276  10.311  -8.886
  427    HB2  SER  14           HB2      SER  14  -1.765   8.494  -9.779
  428    HB3  SER  14           HB3      SER  14  -3.166   7.426  -9.798
  429    HG   SER  14           HG       SER  14  -2.448   8.929 -11.726
  430    H    THR  15           H        THR  15  -4.709   7.118  -8.180
  431    HA   THR  15           HA       THR  15  -7.294   7.737  -9.117
  432    HB   THR  15           HB       THR  15  -6.649   5.716  -6.966
  433    HG1  THR  15           HG1      THR  15  -5.306   5.051  -8.509
  434   HG21  THR  15          HG21      THR  15  -8.741   5.721  -9.146
  435   HG22  THR  15          HG22      THR  15  -9.040   6.088  -7.447
  436   HG23  THR  15          HG23      THR  15  -8.510   4.470  -7.920
  437    H    PHE  16           H        PHE  16  -5.636   8.232  -6.104
  438    HA   PHE  16           HA       PHE  16  -7.545   8.991  -4.306
  439    HB2  PHE  16           HB2      PHE  16  -4.779   9.469  -4.710
  440    HB3  PHE  16           HB3      PHE  16  -5.513  11.042  -4.435
  441    HD1  PHE  16           HD2      PHE  16  -7.400  10.796  -2.414
  442    HD2  PHE  16           HD1      PHE  16  -3.791   8.602  -2.876
  443    HE1  PHE  16           HE2      PHE  16  -7.336  10.392   0.009
  444    HE2  PHE  16           HE1      PHE  16  -3.719   8.198  -0.455
  445    HZ   PHE  16           HZ       PHE  16  -5.495   9.095   0.992
  446    H    HIS  17           H        HIS  17  -5.958  11.223  -6.571
  447    HA   HIS  17           HA       HIS  17  -7.574  13.444  -6.150
  448    HB2  HIS  17           HB2      HIS  17  -5.894  12.556  -8.483
  449    HB3  HIS  17           HB3      HIS  17  -6.831  14.041  -8.570
  450    HD1  HIS  17           HD1      HIS  17  -5.392  15.969  -8.164
  451    HD2  HIS  17           HD2      HIS  17  -4.259  12.701  -5.851
  452    HE1  HIS  17           HE1      HIS  17  -3.451  16.758  -6.775
  453    HE2  HIS  17           HE2      HIS  17  -2.996  14.856  -5.182
  454    H    LYS  18           H        LYS  18  -8.039  10.684  -8.220
  455    HA   LYS  18           HA       LYS  18  -9.949  11.679  -9.989
  456    HB2  LYS  18           HB2      LYS  18  -8.735   9.556 -10.268
  457    HB3  LYS  18           HB3      LYS  18  -9.626   8.869  -8.921
  458    HG2  LYS  18           HG2      LYS  18 -11.707   9.090 -10.194
  459    HG3  LYS  18           HG3      LYS  18 -10.796   9.763 -11.550
  460    HD2  LYS  18           HD2      LYS  18  -9.533   7.700 -11.760
  461    HD3  LYS  18           HD3      LYS  18 -10.351   7.028 -10.349
  462    HE2  LYS  18           HE2      LYS  18 -12.500   7.216 -11.565
  463    HE3  LYS  18           HE3      LYS  18 -11.611   7.766 -12.986
  464    HZ1  LYS  18           HZ1      LYS  18 -11.256   5.130 -11.647
  465    HZ2  LYS  18           HZ2      LYS  18 -10.430   5.663 -13.029
  466    HZ3  LYS  18           HZ3      LYS  18 -12.101   5.400 -13.091
  467    H    TYR  19           H        TYR  19 -10.287  10.559  -6.676
  468    HA   TYR  19           HA       TYR  19 -13.196  10.992  -6.912
  469    HB2  TYR  19           HB2      TYR  19 -11.794   9.001  -5.125
  470    HB3  TYR  19           HB3      TYR  19 -13.531   9.296  -5.165
  471    HD1  TYR  19           HD1      TYR  19 -14.796   8.799  -7.302
  472    HD2  TYR  19           HD2      TYR  19 -10.784   7.539  -6.645
  473    HE1  TYR  19           HE1      TYR  19 -15.029   7.134  -9.114
  474    HE2  TYR  19           HE2      TYR  19 -10.994   5.890  -8.448
  475    HH   TYR  19           HH       TYR  19 -12.648   4.696  -9.673
  476    H    SER  20           H        SER  20 -10.508  11.073  -4.527
  477    HA   SER  20           HA       SER  20 -12.029  12.184  -2.464
  478    HB2  SER  20           HB2      SER  20  -9.863  12.878  -1.461
  479    HB3  SER  20           HB3      SER  20  -9.854  11.205  -2.033
  480    HG   SER  20           HG       SER  20  -8.733  11.866  -3.869
  481    H    GLY  21           H        GLY  21 -10.206  13.782  -5.041
  482    HA2  GLY  21           HA2      GLY  21 -10.776  16.431  -4.049
  483    HA3  GLY  21           HA3      GLY  21 -10.012  16.031  -5.581
  484    H    LYS  22           H        LYS  22 -13.119  14.971  -4.339
  485    HA   LYS  22           HA       LYS  22 -14.465  16.349  -6.570
  486    HB2  LYS  22           HB2      LYS  22 -14.381  13.967  -6.983
  487    HB3  LYS  22           HB3      LYS  22 -14.965  13.623  -5.367
  488    HG2  LYS  22           HG2      LYS  22 -17.082  14.894  -6.100
  489    HG3  LYS  22           HG3      LYS  22 -16.466  14.640  -7.739
  490    HD2  LYS  22           HD2      LYS  22 -16.965  12.483  -5.686
  491    HD3  LYS  22           HD3      LYS  22 -17.996  12.842  -7.070
  492    HE2  LYS  22           HE2      LYS  22 -16.437  12.027  -8.588
  493    HE3  LYS  22           HE3      LYS  22 -15.102  12.177  -7.443
  494    HZ1  LYS  22           HZ1      LYS  22 -16.083  10.381  -6.138
  495    HZ2  LYS  22           HZ2      LYS  22 -15.728   9.875  -7.719
  496    HZ3  LYS  22           HZ3      LYS  22 -17.328  10.209  -7.280
  497    H    GLU  23           H        GLU  23 -15.310  14.636  -3.539
  498    HA   GLU  23           HA       GLU  23 -17.096  16.878  -2.868
  499    HB2  GLU  23           HB2      GLU  23 -16.931  14.106  -1.674
  500    HB3  GLU  23           HB3      GLU  23 -18.081  15.347  -1.204
  501    HG2  GLU  23           HG2      GLU  23 -18.957  15.321  -3.530
  502    HG3  GLU  23           HG3      GLU  23 -17.898  13.947  -3.856
  503    H    GLY  24           H        GLY  24 -14.019  16.455  -2.451
  504    HA2  GLY  24           HA2      GLY  24 -13.876  18.014  -0.091
  505    HA3  GLY  24           HA3      GLY  24 -13.468  16.344   0.273
  506    H    ASP  25           H        ASP  25 -11.356  16.878   0.804
  507    HA   ASP  25           HA       ASP  25  -9.633  18.237  -1.038
  508    HB2  ASP  25           HB2      ASP  25  -9.073  16.717   1.513
  509    HB3  ASP  25           HB3      ASP  25  -7.823  17.518   0.564
  510    H    LYS  26           H        LYS  26  -7.798  17.336  -2.045
  511    HA   LYS  26           HA       LYS  26  -8.477  14.876  -3.360
  512    HB2  LYS  26           HB2      LYS  26  -6.013  15.570  -4.365
  513    HB3  LYS  26           HB3      LYS  26  -7.564  16.056  -5.025
  514    HG2  LYS  26           HG2      LYS  26  -6.143  17.972  -4.866
  515    HG3  LYS  26           HG3      LYS  26  -7.441  18.139  -3.691
  516    HD2  LYS  26           HD2      LYS  26  -5.638  18.755  -2.410
  517    HD3  LYS  26           HD3      LYS  26  -5.665  17.021  -2.084
  518    HE2  LYS  26           HE2      LYS  26  -3.993  16.698  -3.869
  519    HE3  LYS  26           HE3      LYS  26  -3.931  18.446  -4.098
  520    HZ1  LYS  26           HZ1      LYS  26  -2.135  17.910  -2.708
  521    HZ2  LYS  26           HZ2      LYS  26  -3.062  16.870  -1.746
  522    HZ3  LYS  26           HZ3      LYS  26  -3.309  18.551  -1.660
  523    H    PHE  27           H        PHE  27  -7.360  15.028  -0.477
  524    HA   PHE  27           HA       PHE  27  -5.565  12.743  -0.867
  525    HB2  PHE  27           HB2      PHE  27  -4.306  13.462   1.181
  526    HB3  PHE  27           HB3      PHE  27  -4.088  14.495  -0.225
  527    HD1  PHE  27           HD2      PHE  27  -6.342  14.237   2.755
  528    HD2  PHE  27           HD1      PHE  27  -4.111  16.739   0.116
  529    HE1  PHE  27           HE2      PHE  27  -6.942  16.209   4.107
  530    HE2  PHE  27           HE1      PHE  27  -4.717  18.710   1.469
  531    HZ   PHE  27           HZ       PHE  27  -6.137  18.443   3.461
  532    H    LYS  28           H        LYS  28  -8.519  13.393   0.021
  533    HA   LYS  28           HA       LYS  28  -8.573  11.237   1.940
  534    HB2  LYS  28           HB2      LYS  28  -9.737  12.461   3.704
  535    HB3  LYS  28           HB3      LYS  28  -8.139  13.131   3.418
  536    HG2  LYS  28           HG2      LYS  28  -9.114  15.117   3.315
  537    HG3  LYS  28           HG3      LYS  28  -9.797  14.613   1.767
  538    HD2  LYS  28           HD2      LYS  28 -11.744  13.688   2.954
  539    HD3  LYS  28           HD3      LYS  28 -11.059  14.250   4.470
  540    HE2  LYS  28           HE2      LYS  28 -11.124  16.565   3.607
  541    HE3  LYS  28           HE3      LYS  28 -11.904  15.963   2.146
  542    HZ1  LYS  28           HZ1      LYS  28 -13.767  15.212   3.464
  543    HZ2  LYS  28           HZ2      LYS  28 -13.497  16.861   3.746
  544    HZ3  LYS  28           HZ3      LYS  28 -13.006  15.717   4.893
  545    H    LEU  29           H        LEU  29 -10.381  10.090   1.834
  546    HA   LEU  29           HA       LEU  29 -12.455  11.081  -0.030
  547    HB2  LEU  29           HB2      LEU  29 -11.589   8.237   0.507
  548    HB3  LEU  29           HB3      LEU  29 -12.932   8.689  -0.520
  549    HG   LEU  29           HG       LEU  29 -11.155   9.996  -1.885
  550   HD11  LEU  29          HD11      LEU  29  -9.405   8.051  -0.392
  551   HD12  LEU  29          HD12      LEU  29  -8.920   9.011  -1.790
  552   HD13  LEU  29          HD13      LEU  29  -9.344   9.810  -0.277
  553   HD21  LEU  29          HD21      LEU  29 -11.202   6.983  -1.857
  554   HD22  LEU  29          HD22      LEU  29 -12.347   8.032  -2.694
  555   HD23  LEU  29          HD23      LEU  29 -10.655   7.995  -3.193
  556    H    ASN  30           H        ASN  30 -14.604  10.870   0.491
  557    HA   ASN  30           HA       ASN  30 -15.216   9.894   3.182
  558    HB2  ASN  30           HB2      ASN  30 -17.273  11.049   3.063
  559    HB3  ASN  30           HB3      ASN  30 -16.121  12.130   2.295
  560   HD21  ASN  30          HD21      ASN  30 -16.327  12.584   0.120
  561   HD22  ASN  30          HD22      ASN  30 -17.705  12.103  -0.816
  562    H    LYS  31           H        LYS  31 -17.674   8.860   3.028
  563    HA   LYS  31           HA       LYS  31 -17.404   6.257   2.248
  564    HB2  LYS  31           HB2      LYS  31 -19.970   7.848   2.188
  565    HB3  LYS  31           HB3      LYS  31 -19.857   6.096   2.241
  566    HG2  LYS  31           HG2      LYS  31 -18.822   6.213   4.437
  567    HG3  LYS  31           HG3      LYS  31 -18.890   7.977   4.381
  568    HD2  LYS  31           HD2      LYS  31 -21.360   7.815   4.143
  569    HD3  LYS  31           HD3      LYS  31 -21.225   6.071   4.369
  570    HE2  LYS  31           HE2      LYS  31 -20.315   6.386   6.580
  571    HE3  LYS  31           HE3      LYS  31 -20.283   8.134   6.355
  572    HZ1  LYS  31           HZ1      LYS  31 -22.183   7.475   7.673
  573    HZ2  LYS  31           HZ2      LYS  31 -22.719   6.429   6.445
  574    HZ3  LYS  31           HZ3      LYS  31 -22.708   8.106   6.186
  575    H    SER  32           H        SER  32 -19.012   8.778   0.321
  576    HA   SER  32           HA       SER  32 -19.745   7.060  -1.800
  577    HB2  SER  32           HB2      SER  32 -20.901   9.167  -1.314
  578    HB3  SER  32           HB3      SER  32 -19.454  10.075  -1.745
  579    HG   SER  32           HG       SER  32 -19.826   9.749  -3.809
  580    H    GLU  33           H        GLU  33 -16.779   8.736  -1.109
  581    HA   GLU  33           HA       GLU  33 -15.867   8.735  -3.842
  582    HB2  GLU  33           HB2      GLU  33 -14.277   9.156  -1.304
  583    HB3  GLU  33           HB3      GLU  33 -13.760   9.549  -2.943
  584    HG2  GLU  33           HG2      GLU  33 -16.072  10.816  -1.495
  585    HG3  GLU  33           HG3      GLU  33 -14.472  11.523  -1.688
  586    H    LEU  34           H        LEU  34 -15.176   6.893  -0.895
  587    HA   LEU  34           HA       LEU  34 -13.461   5.003  -2.111
  588    HB2  LEU  34           HB2      LEU  34 -15.152   4.988   0.365
  589    HB3  LEU  34           HB3      LEU  34 -14.303   3.542  -0.145
  590    HG   LEU  34           HG       LEU  34 -12.918   6.171   0.354
  591   HD11  LEU  34          HD11      LEU  34 -12.202   5.137   2.487
  592   HD12  LEU  34          HD12      LEU  34 -13.931   5.492   2.412
  593   HD13  LEU  34          HD13      LEU  34 -13.361   3.836   2.202
  594   HD21  LEU  34          HD21      LEU  34 -10.926   4.754   0.469
  595   HD22  LEU  34          HD22      LEU  34 -11.914   3.338   0.100
  596   HD23  LEU  34          HD23      LEU  34 -11.729   4.621  -1.096
  597    H    LYS  35           H        LYS  35 -16.947   5.192  -1.691
  598    HA   LYS  35           HA       LYS  35 -17.839   2.807  -2.615
  599    HB2  LYS  35           HB2      LYS  35 -19.266   4.646  -1.851
  600    HB3  LYS  35           HB3      LYS  35 -18.821   5.602  -3.255
  601    HG2  LYS  35           HG2      LYS  35 -20.912   4.816  -3.785
  602    HG3  LYS  35           HG3      LYS  35 -19.837   3.686  -4.613
  603    HD2  LYS  35           HD2      LYS  35 -20.109   2.074  -2.819
  604    HD3  LYS  35           HD3      LYS  35 -21.136   3.211  -1.927
  605    HE2  LYS  35           HE2      LYS  35 -22.719   3.222  -3.770
  606    HE3  LYS  35           HE3      LYS  35 -21.679   2.105  -4.649
  607    HZ1  LYS  35           HZ1      LYS  35 -22.865   1.475  -2.003
  608    HZ2  LYS  35           HZ2      LYS  35 -22.115   0.400  -3.080
  609    HZ3  LYS  35           HZ3      LYS  35 -23.619   1.067  -3.468
  610    H    GLU  36           H        GLU  36 -17.170   5.660  -4.677
  611    HA   GLU  36           HA       GLU  36 -17.373   4.146  -7.068
  612    HB2  GLU  36           HB2      GLU  36 -16.426   6.912  -6.434
  613    HB3  GLU  36           HB3      GLU  36 -16.190   6.234  -8.040
  614    HG2  GLU  36           HG2      GLU  36 -18.539   5.895  -8.294
  615    HG3  GLU  36           HG3      GLU  36 -18.844   6.460  -6.652
  616    H    LEU  37           H        LEU  37 -14.644   5.109  -5.053
  617    HA   LEU  37           HA       LEU  37 -12.507   4.473  -6.688
  618    HB2  LEU  37           HB2      LEU  37 -12.467   5.371  -4.310
  619    HB3  LEU  37           HB3      LEU  37 -12.675   3.712  -3.778
  620    HG   LEU  37           HG       LEU  37 -10.528   3.383  -5.351
  621   HD11  LEU  37          HD11      LEU  37 -10.257   6.188  -4.270
  622   HD12  LEU  37          HD12      LEU  37  -8.979   5.245  -5.035
  623   HD13  LEU  37          HD13      LEU  37 -10.391   5.739  -5.970
  624   HD21  LEU  37          HD21      LEU  37 -10.504   4.340  -2.497
  625   HD22  LEU  37          HD22      LEU  37 -10.731   2.678  -3.042
  626   HD23  LEU  37          HD23      LEU  37  -9.188   3.491  -3.308
  627    H    LEU  38           H        LEU  38 -14.158   2.289  -4.427
  628    HA   LEU  38           HA       LEU  38 -12.752   0.008  -5.382
  629    HB2  LEU  38           HB2      LEU  38 -15.064   0.383  -3.513
  630    HB3  LEU  38           HB3      LEU  38 -14.530  -1.217  -3.989
  631    HG   LEU  38           HG       LEU  38 -12.200   0.088  -3.174
  632   HD11  LEU  38          HD11      LEU  38 -14.462   0.654  -1.268
  633   HD12  LEU  38          HD12      LEU  38 -12.745   0.838  -0.905
  634   HD13  LEU  38          HD13      LEU  38 -13.499   1.851  -2.138
  635   HD21  LEU  38          HD21      LEU  38 -12.280  -1.508  -1.330
  636   HD22  LEU  38          HD22      LEU  38 -13.984  -1.818  -1.679
  637   HD23  LEU  38          HD23      LEU  38 -12.745  -2.260  -2.857
  638    H    THR  39           H        THR  39 -15.958   1.338  -6.056
  639    HA   THR  39           HA       THR  39 -16.951  -0.984  -7.346
  640    HB   THR  39           HB       THR  39 -18.606   0.573  -8.449
  641    HG1  THR  39           HG1      THR  39 -17.617   2.562  -6.708
  642   HG21  THR  39          HG21      THR  39 -19.801   1.072  -6.379
  643   HG22  THR  39          HG22      THR  39 -18.328   0.786  -5.452
  644   HG23  THR  39          HG23      THR  39 -19.093  -0.543  -6.325
  645    H    ARG  40           H        ARG  40 -15.010   1.691  -8.462
  646    HA   ARG  40           HA       ARG  40 -15.369   0.998 -11.246
  647    HB2  ARG  40           HB2      ARG  40 -13.611   3.041  -9.895
  648    HB3  ARG  40           HB3      ARG  40 -13.728   2.838 -11.637
  649    HG2  ARG  40           HG2      ARG  40 -15.986   3.602  -9.797
  650    HG3  ARG  40           HG3      ARG  40 -15.089   4.697 -10.849
  651    HD2  ARG  40           HD2      ARG  40 -16.824   2.387 -11.704
  652    HD3  ARG  40           HD3      ARG  40 -17.191   4.104 -11.872
  653    HE   ARG  40           HE       ARG  40 -14.750   3.511 -13.168
  654   HH11  ARG  40          HH12      ARG  40 -18.214   3.108 -13.506
  655   HH12  ARG  40          HH11      ARG  40 -18.157   2.989 -15.244
  656   HH21  ARG  40          HH22      ARG  40 -14.664   3.313 -15.431
  657   HH22  ARG  40          HH21      ARG  40 -16.127   3.089 -16.342
  658    H    GLU  41           H        GLU  41 -12.491   1.242  -9.114
  659    HA   GLU  41           HA       GLU  41 -11.103  -0.438 -11.069
  660    HB2  GLU  41           HB2      GLU  41 -10.192   1.647  -9.164
  661    HB3  GLU  41           HB3      GLU  41  -9.068   0.367  -9.598
  662    HG2  GLU  41           HG2      GLU  41  -8.653   2.155 -11.061
  663    HG3  GLU  41           HG3      GLU  41  -9.503   0.930 -11.996
  664    H    LEU  42           H        LEU  42 -12.496  -0.807  -7.997
  665    HA   LEU  42           HA       LEU  42 -10.769  -3.170  -7.593
  666    HB2  LEU  42           HB2      LEU  42 -12.139  -1.555  -5.438
  667    HB3  LEU  42           HB3      LEU  42 -11.217  -3.021  -5.176
  668    HG   LEU  42           HG       LEU  42  -9.295  -1.610  -6.310
  669   HD11  LEU  42          HD11      LEU  42 -10.598   0.359  -6.808
  670   HD12  LEU  42          HD12      LEU  42 -11.101   0.501  -5.121
  671   HD13  LEU  42          HD13      LEU  42  -9.401   0.742  -5.559
  672   HD21  LEU  42          HD21      LEU  42  -9.224  -2.613  -4.097
  673   HD22  LEU  42          HD22      LEU  42  -8.561  -0.980  -4.070
  674   HD23  LEU  42          HD23      LEU  42 -10.184  -1.282  -3.452
  675    HA   PRO  43           HA       PRO  43 -15.498  -4.107  -7.671
  676    HB2  PRO  43           HB2      PRO  43 -15.205  -5.366 -10.290
  677    HB3  PRO  43           HB3      PRO  43 -16.336  -4.110  -9.779
  678    HG2  PRO  43           HG2      PRO  43 -14.300  -3.626 -11.493
  679    HG3  PRO  43           HG3      PRO  43 -14.915  -2.405 -10.366
  680    HD2  PRO  43           HD2      PRO  43 -12.475  -4.128 -10.151
  681    HD3  PRO  43           HD3      PRO  43 -12.680  -2.410  -9.750
  682    H    SER  44           H        SER  44 -12.680  -5.824  -8.740
  683    HA   SER  44           HA       SER  44 -13.607  -8.462  -8.311
  684    HB2  SER  44           HB2      SER  44 -10.753  -7.470  -8.112
  685    HB3  SER  44           HB3      SER  44 -11.300  -9.088  -8.551
  686    HG   SER  44           HG       SER  44 -10.786  -7.095 -10.186
  687    H    PHE  45           H        PHE  45 -12.389  -5.940  -6.299
  688    HA   PHE  45           HA       PHE  45 -11.904  -7.709  -4.030
  689    HB2  PHE  45           HB2      PHE  45 -11.390  -4.745  -4.388
  690    HB3  PHE  45           HB3      PHE  45 -10.939  -5.689  -2.971
  691    HD1  PHE  45           HD2      PHE  45  -9.257  -7.508  -3.199
  692    HD2  PHE  45           HD1      PHE  45 -10.049  -4.738  -6.332
  693    HE1  PHE  45           HE2      PHE  45  -7.135  -8.132  -4.284
  694    HE2  PHE  45           HE1      PHE  45  -7.931  -5.355  -7.421
  695    HZ   PHE  45           HZ       PHE  45  -6.470  -7.055  -6.397
  696    H    LEU  46           H        LEU  46 -14.568  -6.709  -5.253
  697    HA   LEU  46           HA       LEU  46 -15.727  -5.767  -2.717
  698    HB2  LEU  46           HB2      LEU  46 -16.646  -5.281  -5.544
  699    HB3  LEU  46           HB3      LEU  46 -17.571  -4.838  -4.113
  700    HG   LEU  46           HG       LEU  46 -14.873  -3.745  -4.910
  701   HD11  LEU  46          HD11      LEU  46 -17.602  -2.477  -4.757
  702   HD12  LEU  46          HD12      LEU  46 -16.097  -1.644  -5.146
  703   HD13  LEU  46          HD13      LEU  46 -16.727  -2.882  -6.234
  704   HD21  LEU  46          HD21      LEU  46 -15.051  -2.336  -2.954
  705   HD22  LEU  46          HD22      LEU  46 -16.602  -3.069  -2.536
  706   HD23  LEU  46          HD23      LEU  46 -15.127  -4.034  -2.471
  707    H    GLY  47           H        GLY  47 -15.505  -8.432  -4.673
  708    HA2  GLY  47           HA2      GLY  47 -16.749 -10.353  -4.907
  709    HA3  GLY  47           HA3      GLY  47 -17.596  -9.859  -3.448
  710    H    LYS  48           H        LYS  48 -17.646  -7.616  -5.992
  711    HA   LYS  48           HA       LYS  48 -19.094  -6.967  -7.590
  712    HB2  LYS  48           HB2      LYS  48 -20.360  -9.689  -7.278
  713    HB3  LYS  48           HB3      LYS  48 -20.706  -8.540  -8.564
  714    HG2  LYS  48           HG2      LYS  48 -18.107  -9.968  -8.045
  715    HG3  LYS  48           HG3      LYS  48 -19.203 -10.189  -9.411
  716    HD2  LYS  48           HD2      LYS  48 -18.758  -7.882 -10.126
  717    HD3  LYS  48           HD3      LYS  48 -17.649  -7.681  -8.769
  718    HE2  LYS  48           HE2      LYS  48 -16.376  -8.146 -10.754
  719    HE3  LYS  48           HE3      LYS  48 -16.276  -9.533  -9.674
  720    HZ1  LYS  48           HZ1      LYS  48 -17.810 -10.730 -11.004
  721    HZ2  LYS  48           HZ2      LYS  48 -16.664 -10.069 -12.067
  722    HZ3  LYS  48           HZ3      LYS  48 -18.198  -9.362 -11.926
  723    H    ARG  49           H        ARG  49 -20.594  -8.436  -4.736
  724    HA   ARG  49           HA       ARG  49 -22.874  -6.627  -5.052
  725    HB2  ARG  49           HB2      ARG  49 -23.908  -7.916  -3.199
  726    HB3  ARG  49           HB3      ARG  49 -23.521  -8.897  -4.602
  727    HG2  ARG  49           HG2      ARG  49 -21.651  -9.872  -3.511
  728    HG3  ARG  49           HG3      ARG  49 -21.741  -8.713  -2.186
  729    HD2  ARG  49           HD2      ARG  49 -22.638 -10.851  -1.485
  730    HD3  ARG  49           HD3      ARG  49 -23.916  -9.638  -1.535
  731    HE   ARG  49           HE       ARG  49 -23.699 -11.183  -3.954
  732   HH11  ARG  49          HH12      ARG  49 -25.115 -11.009  -0.755
  733   HH12  ARG  49          HH11      ARG  49 -26.393 -12.128  -1.116
  734   HH21  ARG  49          HH22      ARG  49 -25.378 -12.679  -4.432
  735   HH22  ARG  49          HH21      ARG  49 -26.527 -13.095  -3.195
  736    H    THR  50           H        THR  50 -21.581  -4.745  -4.568
  737    HA   THR  50           HA       THR  50 -20.911  -4.571  -1.722
  738    HB   THR  50           HB       THR  50 -19.752  -2.372  -2.930
  739    HG1  THR  50           HG1      THR  50 -20.130  -3.490  -4.970
  740   HG21  THR  50          HG21      THR  50 -18.585  -5.052  -2.187
  741   HG22  THR  50          HG22      THR  50 -18.885  -3.709  -1.086
  742   HG23  THR  50          HG23      THR  50 -17.681  -3.546  -2.362
  743    H    ASP  51           H        ASP  51 -22.650  -3.895  -0.793
  744    HA   ASP  51           HA       ASP  51 -23.730  -1.285  -1.597
  745    HB2  ASP  51           HB2      ASP  51 -24.812  -3.463   0.193
  746    HB3  ASP  51           HB3      ASP  51 -25.475  -1.833   0.205
  747    H    GLU  52           H        GLU  52 -24.576  -0.333   0.823
  748    HA   GLU  52           HA       GLU  52 -22.072   0.617   1.828
  749    HB2  GLU  52           HB2      GLU  52 -24.818   1.157   2.960
  750    HB3  GLU  52           HB3      GLU  52 -23.368   2.133   3.160
  751    HG2  GLU  52           HG2      GLU  52 -24.961   1.731   0.639
  752    HG3  GLU  52           HG3      GLU  52 -24.792   3.211   1.575
  753    H    ALA  53           H        ALA  53 -23.871  -2.092   2.472
  754    HA   ALA  53           HA       ALA  53 -23.389  -2.385   5.266
  755    HB1  ALA  53           HB1      ALA  53 -23.908  -4.499   3.174
  756    HB2  ALA  53           HB2      ALA  53 -24.003  -4.722   4.921
  757    HB3  ALA  53           HB3      ALA  53 -25.140  -3.648   4.105
  758    H    ALA  54           H        ALA  54 -21.776  -3.667   2.349
  759    HA   ALA  54           HA       ALA  54 -19.631  -4.873   3.772
  760    HB1  ALA  54           HB1      ALA  54 -18.519  -5.041   1.600
  761    HB2  ALA  54           HB2      ALA  54 -20.199  -5.586   1.519
  762    HB3  ALA  54           HB3      ALA  54 -19.756  -3.999   0.886
  763    H    PHE  55           H        PHE  55 -20.155  -1.721   2.309
  764    HA   PHE  55           HA       PHE  55 -17.485  -0.792   2.584
  765    HB2  PHE  55           HB2      PHE  55 -20.112   0.462   1.927
  766    HB3  PHE  55           HB3      PHE  55 -18.772   1.510   2.385
  767    HD1  PHE  55           HD2      PHE  55 -19.846  -1.065  -0.046
  768    HD2  PHE  55           HD1      PHE  55 -17.039   1.989   0.900
  769    HE1  PHE  55           HE2      PHE  55 -18.937  -1.199  -2.330
  770    HE2  PHE  55           HE1      PHE  55 -16.124   1.855  -1.382
  771    HZ   PHE  55           HZ       PHE  55 -17.074   0.263  -2.997
  772    H    GLN  56           H        GLN  56 -20.246  -0.819   4.711
  773    HA   GLN  56           HA       GLN  56 -19.516   1.153   6.534
  774    HB2  GLN  56           HB2      GLN  56 -21.692   0.073   6.572
  775    HB3  GLN  56           HB3      GLN  56 -20.953  -1.461   7.003
  776    HG2  GLN  56           HG2      GLN  56 -20.244  -0.533   9.137
  777    HG3  GLN  56           HG3      GLN  56 -20.954   1.023   8.701
  778   HE21  GLN  56          HE21      GLN  56 -21.603  -2.294   9.532
  779   HE22  GLN  56          HE22      GLN  56 -23.268  -2.068   9.960
  780    H    LYS  57           H        LYS  57 -18.532  -2.237   6.345
  781    HA   LYS  57           HA       LYS  57 -17.019  -2.129   8.776
  782    HB2  LYS  57           HB2      LYS  57 -17.881  -4.272   8.127
  783    HB3  LYS  57           HB3      LYS  57 -17.147  -4.152   6.535
  784    HG2  LYS  57           HG2      LYS  57 -15.677  -5.570   7.527
  785    HG3  LYS  57           HG3      LYS  57 -14.920  -4.034   7.932
  786    HD2  LYS  57           HD2      LYS  57 -16.720  -5.655   9.737
  787    HD3  LYS  57           HD3      LYS  57 -14.960  -5.549   9.846
  788    HE2  LYS  57           HE2      LYS  57 -15.161  -3.137  10.291
  789    HE3  LYS  57           HE3      LYS  57 -16.916  -3.289  10.237
  790    HZ1  LYS  57           HZ1      LYS  57 -16.741  -4.884  12.097
  791    HZ2  LYS  57           HZ2      LYS  57 -16.221  -3.325  12.497
  792    HZ3  LYS  57           HZ3      LYS  57 -15.082  -4.546  12.205
  793    H    LEU  58           H        LEU  58 -16.349  -1.931   5.335
  794    HA   LEU  58           HA       LEU  58 -13.569  -1.829   5.386
  795    HB2  LEU  58           HB2      LEU  58 -14.763  -2.008   3.306
  796    HB3  LEU  58           HB3      LEU  58 -15.560  -0.470   3.574
  797    HG   LEU  58           HG       LEU  58 -13.483   0.723   3.264
  798   HD11  LEU  58          HD11      LEU  58 -11.413  -0.394   2.737
  799   HD12  LEU  58          HD12      LEU  58 -12.023  -0.978   4.286
  800   HD13  LEU  58          HD13      LEU  58 -12.198  -1.970   2.839
  801   HD21  LEU  58          HD21      LEU  58 -12.981   0.019   0.902
  802   HD22  LEU  58          HD22      LEU  58 -14.101  -1.318   1.133
  803   HD23  LEU  58          HD23      LEU  58 -14.677   0.343   1.251
  804    H    MET  59           H        MET  59 -15.682   0.978   5.019
  805    HA   MET  59           HA       MET  59 -14.150   3.082   5.584
  806    HB2  MET  59           HB2      MET  59 -16.787   2.726   5.366
  807    HB3  MET  59           HB3      MET  59 -16.703   2.973   7.106
  808    HG2  MET  59           HG2      MET  59 -17.127   5.075   6.123
  809    HG3  MET  59           HG3      MET  59 -15.443   5.081   6.652
  810    HE1  MET  59           HE1      MET  59 -14.259   6.620   5.422
  811    HE2  MET  59           HE2      MET  59 -14.348   6.968   3.693
  812    HE3  MET  59           HE3      MET  59 -15.704   7.383   4.747
  813    H    SER  60           H        SER  60 -15.439   0.889   8.043
  814    HA   SER  60           HA       SER  60 -14.577   2.481  10.255
  815    HB2  SER  60           HB2      SER  60 -16.509   0.880  10.300
  816    HB3  SER  60           HB3      SER  60 -15.336  -0.437  10.225
  817    HG   SER  60           HG       SER  60 -14.508   0.214  12.218
  818    H    ASN  61           H        ASN  61 -13.387  -0.528   8.764
  819    HA   ASN  61           HA       ASN  61 -11.215  -0.835  10.595
  820    HB2  ASN  61           HB2      ASN  61 -11.873  -2.060   7.924
  821    HB3  ASN  61           HB3      ASN  61 -10.344  -2.392   8.727
  822   HD21  ASN  61          HD21      ASN  61 -12.435  -4.233   8.064
  823   HD22  ASN  61          HD22      ASN  61 -12.960  -4.947   9.551
  824    H    LEU  62           H        LEU  62 -11.771   0.893   7.705
  825    HA   LEU  62           HA       LEU  62  -9.036   1.292   6.960
  826    HB2  LEU  62           HB2      LEU  62 -11.456   1.566   5.714
  827    HB3  LEU  62           HB3      LEU  62 -11.021   3.240   6.023
  828    HG   LEU  62           HG       LEU  62  -8.944   2.963   4.809
  829   HD11  LEU  62          HD11      LEU  62  -8.360   0.725   5.317
  830   HD12  LEU  62          HD12      LEU  62  -9.849   0.105   4.597
  831   HD13  LEU  62          HD13      LEU  62  -8.603   0.810   3.573
  832   HD21  LEU  62          HD21      LEU  62  -9.852   2.553   2.568
  833   HD22  LEU  62          HD22      LEU  62 -11.314   1.883   3.289
  834   HD23  LEU  62          HD23      LEU  62 -10.914   3.584   3.522
  835    H    ASP  63           H        ASP  63 -11.552   3.472   8.166
  836    HA   ASP  63           HA       ASP  63  -9.751   5.598   8.739
  837    HB2  ASP  63           HB2      ASP  63 -12.312   5.688   8.334
  838    HB3  ASP  63           HB3      ASP  63 -12.449   5.235  10.028
  839    H    SER  64           H        SER  64  -8.173   5.215  10.206
  840    HA   SER  64           HA       SER  64  -8.583   3.221  12.238
  841    HB2  SER  64           HB2      SER  64  -6.208   3.450  12.683
  842    HB3  SER  64           HB3      SER  64  -6.477   3.379  10.942
  843    HG   SER  64           HG       SER  64  -6.417   5.754  11.027
  844    H    ASN  65           H        ASN  65  -9.125   6.529  12.105
  845    HA   ASN  65           HA       ASN  65  -8.953   6.687  15.044
  846    HB2  ASN  65           HB2      ASN  65  -8.844   9.067  14.891
  847    HB3  ASN  65           HB3      ASN  65  -7.687   8.432  13.730
  848   HD21  ASN  65          HD21      ASN  65  -8.125   8.619  11.520
  849   HD22  ASN  65          HD22      ASN  65  -9.328   9.704  10.921
  850    H    ARG  66           H        ARG  66 -11.013   6.165  12.533
  851    HA   ARG  66           HA       ARG  66 -13.232   5.848  12.374
  852    HB2  ARG  66           HB2      ARG  66 -13.002   6.138  15.350
  853    HB3  ARG  66           HB3      ARG  66 -14.585   6.024  14.594
  854    HG2  ARG  66           HG2      ARG  66 -13.986   3.840  15.279
  855    HG3  ARG  66           HG3      ARG  66 -13.819   3.887  13.524
  856    HD2  ARG  66           HD2      ARG  66 -11.319   4.614  14.363
  857    HD3  ARG  66           HD3      ARG  66 -11.802   3.456  15.603
  858    HE   ARG  66           HE       ARG  66 -12.337   2.479  12.979
  859   HH11  ARG  66          HH12      ARG  66  -9.783   2.868  15.355
  860   HH12  ARG  66          HH11      ARG  66  -8.750   1.680  14.602
  861   HH21  ARG  66          HH22      ARG  66 -10.988   0.931  12.014
  862   HH22  ARG  66          HH21      ARG  66  -9.447   0.569  12.731
  863    H    ASP  67           H        ASP  67 -12.363   8.228  11.530
  864    HA   ASP  67           HA       ASP  67 -14.195  10.279  12.545
  865    HB2  ASP  67           HB2      ASP  67 -11.814  10.818  11.959
  866    HB3  ASP  67           HB3      ASP  67 -12.190  10.450  10.279
  867    H    ASN  68           H        ASN  68 -14.104   7.834  10.255
  868    HA   ASN  68           HA       ASN  68 -15.598   7.071   8.735
  869    HB2  ASN  68           HB2      ASN  68 -17.232   9.386   9.753
  870    HB3  ASN  68           HB3      ASN  68 -17.791   8.368   8.431
  871   HD21  ASN  68          HD21      ASN  68 -16.557   5.967   9.522
  872   HD22  ASN  68          HD22      ASN  68 -17.539   5.481  10.860
  873    H    GLU  69           H        GLU  69 -13.552   9.253   8.308
  874    HA   GLU  69           HA       GLU  69 -14.158   9.570   5.482
  875    HB2  GLU  69           HB2      GLU  69 -13.598  11.867   7.349
  876    HB3  GLU  69           HB3      GLU  69 -13.207  11.963   5.636
  877    HG2  GLU  69           HG2      GLU  69 -15.540  11.564   5.070
  878    HG3  GLU  69           HG3      GLU  69 -15.940  11.435   6.783
  879    H    VAL  70           H        VAL  70 -12.546   8.506   4.623
  880    HA   VAL  70           HA       VAL  70 -10.217   7.894   6.132
  881    HB   VAL  70           HB       VAL  70 -10.918   7.255   3.272
  882   HG11  VAL  70          HG11      VAL  70  -8.696   6.161   4.979
  883   HG12  VAL  70          HG12      VAL  70  -9.163   5.554   3.392
  884   HG13  VAL  70          HG13      VAL  70  -8.512   7.184   3.555
  885   HG21  VAL  70          HG21      VAL  70 -11.463   5.051   4.148
  886   HG22  VAL  70          HG22      VAL  70 -11.038   5.582   5.775
  887   HG23  VAL  70          HG23      VAL  70 -12.424   6.293   4.947
  888    H    ASP  71           H        ASP  71  -8.933   9.547   6.503
  889    HA   ASP  71           HA       ASP  71  -7.938  11.376   4.587
  890    HB2  ASP  71           HB2      ASP  71  -7.772  11.885   6.943
  891    HB3  ASP  71           HB3      ASP  71  -6.873  10.401   7.251
  892    H    PHE  72           H        PHE  72  -5.635  11.390   3.849
  893    HA   PHE  72           HA       PHE  72  -4.924   9.321   2.229
  894    HB2  PHE  72           HB2      PHE  72  -3.877  11.641   2.413
  895    HB3  PHE  72           HB3      PHE  72  -2.849  10.967   3.677
  896    HD1  PHE  72           HD2      PHE  72  -1.953   8.488   2.865
  897    HD2  PHE  72           HD1      PHE  72  -2.808  11.839   0.399
  898    HE1  PHE  72           HE2      PHE  72  -0.444   7.603   1.162
  899    HE2  PHE  72           HE1      PHE  72  -1.293  10.955  -1.320
  900    HZ   PHE  72           HZ       PHE  72  -0.093   8.825  -0.921
  901    H    GLN  73           H        GLN  73  -3.794   9.807   5.542
  902    HA   GLN  73           HA       GLN  73  -2.039   7.700   5.801
  903    HB2  GLN  73           HB2      GLN  73  -3.912   8.833   7.886
  904    HB3  GLN  73           HB3      GLN  73  -2.535   7.798   8.229
  905    HG2  GLN  73           HG2      GLN  73  -2.318  10.472   6.873
  906    HG3  GLN  73           HG3      GLN  73  -2.166  10.236   8.613
  907   HE21  GLN  73          HE21      GLN  73  -0.829   7.680   8.331
  908   HE22  GLN  73          HE22      GLN  73   0.775   8.016   7.785
  909    H    GLU  74           H        GLU  74  -5.567   7.720   6.223
  910    HA   GLU  74           HA       GLU  74  -5.599   5.009   7.194
  911    HB2  GLU  74           HB2      GLU  74  -8.077   6.314   6.171
  912    HB3  GLU  74           HB3      GLU  74  -7.844   5.333   7.609
  913    HG2  GLU  74           HG2      GLU  74  -6.967   8.193   7.287
  914    HG3  GLU  74           HG3      GLU  74  -8.419   7.660   8.122
  915    H    TYR  75           H        TYR  75  -5.331   6.487   4.209
  916    HA   TYR  75           HA       TYR  75  -6.811   4.462   2.738
  917    HB2  TYR  75           HB2      TYR  75  -6.994   6.806   2.043
  918    HB3  TYR  75           HB3      TYR  75  -5.261   6.857   1.741
  919    HD1  TYR  75           HD2      TYR  75  -8.483   5.553   0.562
  920    HD2  TYR  75           HD1      TYR  75  -4.308   5.837  -0.216
  921    HE1  TYR  75           HE2      TYR  75  -8.853   4.744  -1.739
  922    HE2  TYR  75           HE1      TYR  75  -4.674   5.029  -2.517
  923    HH   TYR  75           HH       TYR  75  -6.335   3.735  -3.766
  924    H    CYS  76           H        CYS  76  -3.464   5.289   3.457
  925    HA   CYS  76           HA       CYS  76  -2.244   3.748   1.425
  926    HB2  CYS  76           HB2      CYS  76  -0.227   3.879   2.702
  927    HB3  CYS  76           HB3      CYS  76  -1.069   5.386   2.971
  928    HG   CYS  76           HG       CYS  76  -0.018   3.184   5.160
  929    H    VAL  77           H        VAL  77  -3.434   2.969   4.606
  930    HA   VAL  77           HA       VAL  77  -2.459   0.291   4.576
  931    HB   VAL  77           HB       VAL  77  -3.797   0.035   6.647
  932   HG11  VAL  77          HG11      VAL  77  -2.449   1.594   7.951
  933   HG12  VAL  77          HG12      VAL  77  -1.498   0.849   6.669
  934   HG13  VAL  77          HG13      VAL  77  -2.078   2.504   6.487
  935   HG21  VAL  77          HG21      VAL  77  -5.643   1.551   6.090
  936   HG22  VAL  77          HG22      VAL  77  -4.878   2.009   7.613
  937   HG23  VAL  77          HG23      VAL  77  -4.535   2.922   6.144
  938    H    PHE  78           H        PHE  78  -5.247   1.860   3.339
  939    HA   PHE  78           HA       PHE  78  -7.061  -0.229   3.174
  940    HB2  PHE  78           HB2      PHE  78  -7.538   2.089   2.424
  941    HB3  PHE  78           HB3      PHE  78  -6.397   1.896   1.101
  942    HD1  PHE  78           HD2      PHE  78  -9.222  -0.240   2.319
  943    HD2  PHE  78           HD1      PHE  78  -7.442   1.969  -0.845
  944    HE1  PHE  78           HE2      PHE  78 -11.023  -0.962   0.803
  945    HE2  PHE  78           HE1      PHE  78  -9.226   1.265  -2.361
  946    HZ   PHE  78           HZ       PHE  78 -11.031  -0.204  -1.541
  947    H    LEU  79           H        LEU  79  -4.719   0.757   0.723
  948    HA   LEU  79           HA       LEU  79  -5.263  -1.526  -0.851
  949    HB2  LEU  79           HB2      LEU  79  -3.182   0.623  -1.033
  950    HB3  LEU  79           HB3      LEU  79  -3.393  -0.633  -2.249
  951    HG   LEU  79           HG       LEU  79  -5.424   1.427  -1.414
  952   HD11  LEU  79          HD11      LEU  79  -3.742   2.331  -2.859
  953   HD12  LEU  79          HD12      LEU  79  -3.922   0.977  -3.980
  954   HD13  LEU  79          HD13      LEU  79  -5.243   2.127  -3.764
  955   HD21  LEU  79          HD21      LEU  79  -6.913   0.389  -3.006
  956   HD22  LEU  79          HD22      LEU  79  -5.687  -0.821  -3.402
  957   HD23  LEU  79          HD23      LEU  79  -6.411  -0.798  -1.793
  958    H    SER  80           H        SER  80  -2.501  -0.661   1.204
  959    HA   SER  80           HA       SER  80  -0.946  -2.856   0.413
  960    HB2  SER  80           HB2      SER  80  -0.971  -1.320   3.007
  961    HB3  SER  80           HB3      SER  80   0.310  -2.419   2.486
  962    HG   SER  80           HG       SER  80   1.079  -0.859   1.342
  963    H    CYS  81           H        CYS  81  -3.546  -2.537   2.723
  964    HA   CYS  81           HA       CYS  81  -3.193  -5.213   3.717
  965    HB2  CYS  81           HB2      CYS  81  -5.340  -3.147   4.101
  966    HB3  CYS  81           HB3      CYS  81  -5.439  -4.765   4.804
  967    HG   CYS  81           HG       CYS  81  -3.435  -2.177   5.628
  968    H    ILE  82           H        ILE  82  -4.662  -3.795   0.966
  969    HA   ILE  82           HA       ILE  82  -6.445  -6.066   0.603
  970    HB   ILE  82           HB       ILE  82  -5.909  -3.962  -1.494
  971   HG12  ILE  82          HG12      ILE  82  -8.000  -3.961   0.686
  972   HG13  ILE  82          HG13      ILE  82  -6.660  -2.827   0.541
  973   HG21  ILE  82          HG21      ILE  82  -8.349  -5.652  -0.961
  974   HG22  ILE  82          HG22      ILE  82  -8.026  -4.646  -2.375
  975   HG23  ILE  82          HG23      ILE  82  -7.072  -6.107  -2.101
  976   HD11  ILE  82          HD11      ILE  82  -8.723  -1.837  -0.230
  977   HD12  ILE  82          HD12      ILE  82  -7.584  -2.016  -1.565
  978   HD13  ILE  82          HD13      ILE  82  -8.933  -3.141  -1.399
  979    H    ALA  83           H        ALA  83  -3.209  -5.032  -0.384
  980    HA   ALA  83           HA       ALA  83  -2.649  -7.129  -2.139
  981    HB1  ALA  83           HB1      ALA  83  -0.943  -6.112   0.124
  982    HB2  ALA  83           HB2      ALA  83  -0.381  -7.090  -1.232
  983    HB3  ALA  83           HB3      ALA  83  -0.990  -5.460  -1.514
  984    H    MET  84           H        MET  84  -2.426  -7.077   1.395
  985    HA   MET  84           HA       MET  84  -2.022  -9.804   1.782
  986    HB2  MET  84           HB2      MET  84  -3.236  -7.681   3.521
  987    HB3  MET  84           HB3      MET  84  -3.161  -9.357   4.059
  988    HG2  MET  84           HG2      MET  84  -0.760  -9.363   3.849
  989    HG3  MET  84           HG3      MET  84  -0.784  -7.734   3.180
  990    HE1  MET  84           HE1      MET  84  -1.208  -5.564   4.555
  991    HE2  MET  84           HE2      MET  84  -2.827  -6.193   4.867
  992    HE3  MET  84           HE3      MET  84  -1.852  -5.557   6.199
  993    H    MET  85           H        MET  85  -5.018  -7.981   1.357
  994    HA   MET  85           HA       MET  85  -6.859 -10.088   1.590
  995    HB2  MET  85           HB2      MET  85  -7.472  -7.651   1.227
  996    HB3  MET  85           HB3      MET  85  -6.987  -7.850  -0.439
  997    HG2  MET  85           HG2      MET  85  -8.658  -9.811  -0.491
  998    HG3  MET  85           HG3      MET  85  -9.316  -9.072   0.969
  999    HE1  MET  85           HE1      MET  85 -10.733  -5.745  -0.151
 1000    HE2  MET  85           HE2      MET  85 -10.875  -7.067   1.014
 1001    HE3  MET  85           HE3      MET  85  -9.338  -6.204   0.834
 1002    H    CYS  86           H        CYS  86  -5.100  -8.844  -1.218
 1003    HA   CYS  86           HA       CYS  86  -6.281 -10.476  -3.143
 1004    HB2  CYS  86           HB2      CYS  86  -4.983  -8.425  -3.627
 1005    HB3  CYS  86           HB3      CYS  86  -3.504  -9.282  -3.210
 1006    HG   CYS  86           HG       CYS  86  -4.421 -11.285  -5.314
 1007    H    ASN  87           H        ASN  87  -3.721 -11.219  -0.893
 1008    HA   ASN  87           HA       ASN  87  -2.770 -13.533  -2.259
 1009    HB2  ASN  87           HB2      ASN  87  -1.516 -12.420  -0.420
 1010    HB3  ASN  87           HB3      ASN  87  -2.740 -12.974   0.717
 1011   HD21  ASN  87          HD21      ASN  87  -2.770 -15.123   1.353
 1012   HD22  ASN  87          HD22      ASN  87  -1.484 -16.223   0.966
 1013    H    GLU  88           H        GLU  88  -5.127 -13.028   0.327
 1014    HA   GLU  88           HA       GLU  88  -5.913 -15.753   0.548
 1015    HB2  GLU  88           HB2      GLU  88  -7.497 -13.289   1.312
 1016    HB3  GLU  88           HB3      GLU  88  -7.718 -14.918   1.934
 1017    HG2  GLU  88           HG2      GLU  88  -5.376 -13.095   2.409
 1018    HG3  GLU  88           HG3      GLU  88  -6.596 -13.598   3.580
 1019    H    PHE  89           H        PHE  89  -7.196 -12.927  -1.099
 1020    HA   PHE  89           HA       PHE  89  -9.515 -14.256  -2.097
 1021    HB2  PHE  89           HB2      PHE  89  -9.132 -11.720  -1.636
 1022    HB3  PHE  89           HB3      PHE  89  -8.393 -11.708  -3.239
 1023    HD1  PHE  89           HD1      PHE  89 -11.512 -12.327  -1.389
 1024    HD2  PHE  89           HD2      PHE  89  -9.713 -11.797  -5.207
 1025    HE1  PHE  89           HE1      PHE  89 -13.742 -12.115  -2.403
 1026    HE2  PHE  89           HE2      PHE  89 -11.940 -11.583  -6.227
 1027    HZ   PHE  89           HZ       PHE  89 -13.958 -11.744  -4.827
 1028    H    PHE  90           H        PHE  90  -6.248 -14.079  -3.092
 1029    HA   PHE  90           HA       PHE  90  -6.451 -14.468  -5.865
 1030    HB2  PHE  90           HB2      PHE  90  -4.368 -14.219  -4.181
 1031    HB3  PHE  90           HB3      PHE  90  -4.362 -15.967  -4.351
 1032    HD1  PHE  90           HD2      PHE  90  -5.568 -15.176  -7.379
 1033    HD2  PHE  90           HD1      PHE  90  -2.008 -14.609  -5.115
 1034    HE1  PHE  90           HE2      PHE  90  -4.282 -14.945  -9.461
 1035    HE2  PHE  90           HE1      PHE  90  -0.712 -14.374  -7.196
 1036    HZ   PHE  90           HZ       PHE  90  -1.855 -14.546  -9.372
 1037    H    GLU  91           H        GLU  91  -6.272 -16.776  -3.190
 1038    HA   GLU  91           HA       GLU  91  -6.802 -19.044  -4.853
 1039    HB2  GLU  91           HB2      GLU  91  -6.895 -18.725  -1.848
 1040    HB3  GLU  91           HB3      GLU  91  -7.011 -20.257  -2.703
 1041    HG2  GLU  91           HG2      GLU  91  -4.652 -18.388  -2.769
 1042    HG3  GLU  91           HG3      GLU  91  -4.772 -19.868  -1.815
 1043    H    GLY  92           H        GLY  92  -8.684 -17.263  -2.397
 1044    HA2  GLY  92           HA2      GLY  92 -10.880 -16.477  -3.074
 1045    HA3  GLY  92           HA3      GLY  92 -11.079 -17.974  -3.966
 1046    H    PHE  93           H        PHE  93  -9.940 -19.523  -1.644
 1047    HA   PHE  93           HA       PHE  93 -12.441 -20.229  -0.584
 1048    HB2  PHE  93           HB2      PHE  93 -11.239 -21.752   0.896
 1049    HB3  PHE  93           HB3      PHE  93 -10.610 -21.842  -0.741
 1050    HD1  PHE  93           HD1      PHE  93  -8.380 -20.991  -1.260
 1051    HD2  PHE  93           HD2      PHE  93  -9.899 -20.956   2.713
 1052    HE1  PHE  93           HE1      PHE  93  -6.101 -20.664  -0.394
 1053    HE2  PHE  93           HE2      PHE  93  -7.625 -20.622   3.585
 1054    HZ   PHE  93           HZ       PHE  93  -5.722 -20.478   2.031
 1055    HA   PRO  94           HA       PRO  94 -12.824 -17.293   2.693
 1056    HB2  PRO  94           HB2      PRO  94 -15.042 -18.824   3.728
 1057    HB3  PRO  94           HB3      PRO  94 -15.083 -17.304   2.832
 1058    HG2  PRO  94           HG2      PRO  94 -16.003 -19.688   1.841
 1059    HG3  PRO  94           HG3      PRO  94 -15.434 -18.349   0.832
 1060    HD2  PRO  94           HD2      PRO  94 -14.009 -20.852   1.645
 1061    HD3  PRO  94           HD3      PRO  94 -14.001 -20.005   0.083
 1062    H    ASP  95           H        ASP  95 -10.798 -18.280   3.498
 1063    HA   ASP  95           HA       ASP  95  -9.519 -18.957   5.237
 1064    HB2  ASP  95           HB2      ASP  95 -11.013 -17.727   6.694
 1065    HB3  ASP  95           HB3      ASP  95 -12.149 -19.072   6.719
 1066    H    LYS  96           H        LYS  96  -8.524 -20.831   5.552
 1067    HA   LYS  96           HA       LYS  96  -9.598 -23.189   4.420
 1068    HB2  LYS  96           HB2      LYS  96  -7.530 -24.259   5.128
 1069    HB3  LYS  96           HB3      LYS  96  -7.189 -22.682   4.428
 1070    HG2  LYS  96           HG2      LYS  96  -6.959 -21.738   6.672
 1071    HG3  LYS  96           HG3      LYS  96  -7.297 -23.324   7.368
 1072    HD2  LYS  96           HD2      LYS  96  -5.303 -24.225   6.263
 1073    HD3  LYS  96           HD3      LYS  96  -4.966 -22.631   5.581
 1074    HE2  LYS  96           HE2      LYS  96  -5.017 -23.376   8.503
 1075    HE3  LYS  96           HE3      LYS  96  -3.594 -22.980   7.538
 1076    HZ1  LYS  96           HZ1      LYS  96  -4.583 -20.747   7.193
 1077    HZ2  LYS  96           HZ2      LYS  96  -4.201 -21.071   8.812
 1078    HZ3  LYS  96           HZ3      LYS  96  -5.810 -21.150   8.290
 1079    H    GLN  97           H        GLN  97 -10.351 -25.054   5.337
 1080    HA   GLN  97           HA       GLN  97 -11.346 -24.810   8.059
 1081    HB2  GLN  97           HB2      GLN  97 -12.853 -25.623   6.287
 1082    HB3  GLN  97           HB3      GLN  97 -11.774 -26.980   5.993
 1083    HG2  GLN  97           HG2      GLN  97 -12.201 -27.832   8.222
 1084    HG3  GLN  97           HG3      GLN  97 -13.231 -26.444   8.573
 1085   HE21  GLN  97          HE21      GLN  97 -12.949 -29.446   6.860
 1086   HE22  GLN  97          HE22      GLN  97 -14.621 -29.586   6.428
 1087    HA   PRO  98           HA       PRO  98  -7.929 -27.092   9.770
 1088    HB2  PRO  98           HB2      PRO  98  -9.225 -27.863  12.078
 1089    HB3  PRO  98           HB3      PRO  98  -8.431 -26.303  11.847
 1090    HG2  PRO  98           HG2      PRO  98 -11.326 -27.012  11.622
 1091    HG3  PRO  98           HG3      PRO  98 -10.576 -25.564  12.318
 1092    HD2  PRO  98           HD2      PRO  98 -11.701 -25.543   9.877
 1093    HD3  PRO  98           HD3      PRO  98 -10.252 -24.583  10.247
 1094    H    ARG  99           H        ARG  99  -7.407 -29.006   9.011
 1095    HA   ARG  99           HA       ARG  99  -8.733 -31.403   9.737
 1096    HB2  ARG  99           HB2      ARG  99 -10.362 -30.768   8.049
 1097    HB3  ARG  99           HB3      ARG  99  -9.086 -30.461   6.880
 1098    HG2  ARG  99           HG2      ARG  99 -10.068 -32.535   6.313
 1099    HG3  ARG  99           HG3      ARG  99  -8.494 -32.891   7.021
 1100    HD2  ARG  99           HD2      ARG  99  -9.643 -33.333   9.188
 1101    HD3  ARG  99           HD3      ARG  99 -11.187 -33.130   8.359
 1102    HE   ARG  99           HE       ARG  99  -9.275 -35.149   7.394
 1103   HH11  ARG  99          HH12      ARG  99 -12.375 -34.374   8.860
 1104   HH12  ARG  99          HH11      ARG  99 -13.013 -35.983   8.638
 1105   HH21  ARG  99          HH22      ARG  99 -10.103 -37.240   7.128
 1106   HH22  ARG  99          HH21      ARG  99 -11.711 -37.617   7.662
 1107    H    LYS 100           H        LYS 100  -7.055 -30.331   6.795
 1108    HA   LYS 100           HA       LYS 100  -5.014 -30.765   5.916
 1109    HB2  LYS 100           HB2      LYS 100  -4.078 -30.167   8.102
 1110    HB3  LYS 100           HB3      LYS 100  -4.323 -31.813   8.667
 1111    HG2  LYS 100           HG2      LYS 100  -2.012 -31.493   8.109
 1112    HG3  LYS 100           HG3      LYS 100  -2.741 -32.607   6.950
 1113    HD2  LYS 100           HD2      LYS 100  -2.913 -30.846   5.306
 1114    HD3  LYS 100           HD3      LYS 100  -2.330 -29.655   6.472
 1115    HE2  LYS 100           HE2      LYS 100  -0.767 -32.024   5.447
 1116    HE3  LYS 100           HE3      LYS 100  -0.571 -30.358   4.905
 1117    HZ1  LYS 100           HZ1      LYS 100  -0.125 -31.315   7.685
 1118    HZ2  LYS 100           HZ2      LYS 100   0.114 -29.736   7.124
 1119    HZ3  LYS 100           HZ3      LYS 100   1.096 -30.994   6.554
 1120    H    LYS 101           H        LYS 101  -5.781 -33.446   8.120
 1121    HA   LYS 101           HA       LYS 101  -5.671 -35.256   5.815
 1122    HB2  LYS 101           HB2      LYS 101  -4.896 -36.878   7.886
 1123    HB3  LYS 101           HB3      LYS 101  -3.814 -36.159   6.705
 1124    HG2  LYS 101           HG2      LYS 101  -2.837 -35.712   8.781
 1125    HG3  LYS 101           HG3      LYS 101  -3.605 -34.198   8.310
 1126    HD2  LYS 101           HD2      LYS 101  -4.112 -34.505  10.596
 1127    HD3  LYS 101           HD3      LYS 101  -5.583 -34.921   9.715
 1128    HE2  LYS 101           HE2      LYS 101  -5.154 -36.532  11.485
 1129    HE3  LYS 101           HE3      LYS 101  -5.017 -37.295   9.902
 1130    HZ1  LYS 101           HZ1      LYS 101  -2.649 -36.255  11.339
 1131    HZ2  LYS 101           HZ2      LYS 101  -2.700 -37.371  10.060
 1132    HZ3  LYS 101           HZ3      LYS 101  -3.235 -37.824  11.605
 1133    H    MET   1           H1       MET   1  -3.563   1.452 -21.636
 1134    HA   MET   1           HA       MET   1  -2.904   1.192 -19.355
 1135    HB2  MET   1           HB2      MET   1  -4.433   3.046 -19.903
 1136    HB3  MET   1           HB3      MET   1  -5.813   1.992 -19.629
 1137    HG2  MET   1           HG2      MET   1  -5.073   1.739 -17.270
 1138    HG3  MET   1           HG3      MET   1  -3.817   2.932 -17.585
 1139    HE1  MET   1           HE1      MET   1  -5.958   6.124 -18.417
 1140    HE2  MET   1           HE2      MET   1  -4.328   5.469 -18.250
 1141    HE3  MET   1           HE3      MET   1  -5.365   4.926 -19.568
 1142    H    ALA   2           H        ALA   2  -2.987   0.054 -17.463
 1143    HA   ALA   2           HA       ALA   2  -4.874  -2.189 -17.345
 1144    HB1  ALA   2           HB1      ALA   2  -2.454  -1.574 -15.638
 1145    HB2  ALA   2           HB2      ALA   2  -3.418  -3.049 -15.584
 1146    HB3  ALA   2           HB3      ALA   2  -2.465  -2.669 -17.022
 1147    H    CYS   3           H        CYS   3  -6.341  -2.361 -15.610
 1148    HA   CYS   3           HA       CYS   3  -7.449  -0.164 -14.428
 1149    HB2  CYS   3           HB2      CYS   3  -7.264  -2.917 -13.183
 1150    HB3  CYS   3           HB3      CYS   3  -8.456  -1.680 -12.798
 1151    HG   CYS   3           HG       CYS   3  -9.047  -4.063 -14.669
 1152    HA   PRO   4           HA       PRO   4  -3.751   1.190 -12.376
 1153    HB2  PRO   4           HB2      PRO   4  -5.758   3.085 -11.245
 1154    HB3  PRO   4           HB3      PRO   4  -4.176   3.429 -11.957
 1155    HG2  PRO   4           HG2      PRO   4  -6.336   3.904 -13.372
 1156    HG3  PRO   4           HG3      PRO   4  -4.970   3.065 -14.144
 1157    HD2  PRO   4           HD2      PRO   4  -7.530   1.923 -13.071
 1158    HD3  PRO   4           HD3      PRO   4  -6.675   1.547 -14.585
 1159    H    LEU   5           H        LEU   5  -6.664   1.549 -10.365
 1160    HA   LEU   5           HA       LEU   5  -5.230   1.166  -7.961
 1161    HB2  LEU   5           HB2      LEU   5  -7.675   2.171  -8.611
 1162    HB3  LEU   5           HB3      LEU   5  -8.125   0.620  -7.929
 1163    HG   LEU   5           HG       LEU   5  -8.203   2.449  -6.280
 1164   HD11  LEU   5          HD11      LEU   5  -6.926   1.353  -4.526
 1165   HD12  LEU   5          HD12      LEU   5  -7.827   0.196  -5.510
 1166   HD13  LEU   5          HD13      LEU   5  -6.088   0.387  -5.744
 1167   HD21  LEU   5          HD21      LEU   5  -5.232   2.582  -6.731
 1168   HD22  LEU   5          HD22      LEU   5  -6.412   3.837  -7.114
 1169   HD23  LEU   5          HD23      LEU   5  -6.117   3.389  -5.432
 1170    H    GLU   6           H        GLU   6  -7.029  -0.993 -10.082
 1171    HA   GLU   6           HA       GLU   6  -7.209  -3.178  -8.317
 1172    HB2  GLU   6           HB2      GLU   6  -8.551  -3.061 -10.361
 1173    HB3  GLU   6           HB3      GLU   6  -7.093  -3.194 -11.338
 1174    HG2  GLU   6           HG2      GLU   6  -6.684  -5.420 -10.493
 1175    HG3  GLU   6           HG3      GLU   6  -8.071  -5.293  -9.414
 1176    H    LYS   7           H        LYS   7  -4.827  -2.433 -10.876
 1177    HA   LYS   7           HA       LYS   7  -3.227  -4.672 -10.483
 1178    HB2  LYS   7           HB2      LYS   7  -2.768  -1.960 -11.654
 1179    HB3  LYS   7           HB3      LYS   7  -1.379  -3.002 -11.364
 1180    HG2  LYS   7           HG2      LYS   7  -2.786  -2.944 -13.641
 1181    HG3  LYS   7           HG3      LYS   7  -1.874  -4.347 -13.096
 1182    HD2  LYS   7           HD2      LYS   7  -4.771  -3.975 -12.382
 1183    HD3  LYS   7           HD3      LYS   7  -4.297  -4.667 -13.932
 1184    HE2  LYS   7           HE2      LYS   7  -3.464  -5.737 -11.236
 1185    HE3  LYS   7           HE3      LYS   7  -4.797  -6.370 -12.198
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.028  -6.233 -13.242
 1187    HZ2  LYS   7           HZ2      LYS   7  -3.329  -7.148 -13.830
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.591  -7.562 -12.359
 1189    H    ALA   8           H        ALA   8  -3.271  -1.592  -8.784
 1190    HA   ALA   8           HA       ALA   8  -0.916  -1.638  -7.400
 1191    HB1  ALA   8           HB1      ALA   8  -2.550   0.164  -7.216
 1192    HB2  ALA   8           HB2      ALA   8  -3.596  -0.882  -6.254
 1193    HB3  ALA   8           HB3      ALA   8  -2.020  -0.395  -5.630
 1194    H    LEU   9           H        LEU   9  -3.880  -3.415  -6.505
 1195    HA   LEU   9           HA       LEU   9  -2.606  -4.571  -4.191
 1196    HB2  LEU   9           HB2      LEU   9  -5.205  -5.374  -5.508
 1197    HB3  LEU   9           HB3      LEU   9  -4.641  -5.900  -3.940
 1198    HG   LEU   9           HG       LEU   9  -6.171  -4.281  -3.372
 1199   HD11  LEU   9          HD11      LEU   9  -3.573  -2.801  -3.637
 1200   HD12  LEU   9          HD12      LEU   9  -4.936  -2.324  -2.622
 1201   HD13  LEU   9          HD13      LEU   9  -4.073  -3.825  -2.289
 1202   HD21  LEU   9          HD21      LEU   9  -5.156  -2.549  -5.613
 1203   HD22  LEU   9          HD22      LEU   9  -6.647  -3.491  -5.631
 1204   HD23  LEU   9          HD23      LEU   9  -6.463  -2.152  -4.498
 1205    H    ASP  10           H        ASP  10  -3.629  -5.714  -7.369
 1206    HA   ASP  10           HA       ASP  10  -2.955  -8.399  -7.112
 1207    HB2  ASP  10           HB2      ASP  10  -4.231  -7.760  -8.998
 1208    HB3  ASP  10           HB3      ASP  10  -3.046  -6.558  -9.496
 1209    H    VAL  11           H        VAL  11  -0.951  -5.684  -8.192
 1210    HA   VAL  11           HA       VAL  11   1.222  -7.347  -8.958
 1211    HB   VAL  11           HB       VAL  11   2.480  -5.355  -9.339
 1212   HG11  VAL  11          HG11      VAL  11  -0.409  -4.915 -10.079
 1213   HG12  VAL  11          HG12      VAL  11   0.985  -4.163 -10.853
 1214   HG13  VAL  11          HG13      VAL  11   0.750  -5.907 -10.964
 1215   HG21  VAL  11          HG21      VAL  11   1.977  -4.156  -7.285
 1216   HG22  VAL  11          HG22      VAL  11   1.665  -3.135  -8.689
 1217   HG23  VAL  11          HG23      VAL  11   0.321  -3.886  -7.830
 1218    H    MET  12           H        MET  12   0.301  -5.908  -5.909
 1219    HA   MET  12           HA       MET  12   2.815  -5.898  -4.650
 1220    HB2  MET  12           HB2      MET  12   0.100  -6.481  -3.474
 1221    HB3  MET  12           HB3      MET  12   1.562  -6.270  -2.524
 1222    HG2  MET  12           HG2      MET  12   1.715  -3.978  -3.733
 1223    HG3  MET  12           HG3      MET  12   0.011  -4.254  -4.082
 1224    HE1  MET  12           HE1      MET  12  -0.713  -2.153  -2.897
 1225    HE2  MET  12           HE2      MET  12  -0.405  -1.760  -1.202
 1226    HE3  MET  12           HE3      MET  12   0.916  -1.683  -2.384
 1227    H    VAL  13           H        VAL  13   0.331  -8.467  -4.670
 1228    HA   VAL  13           HA       VAL  13   2.163 -10.343  -3.480
 1229    HB   VAL  13           HB       VAL  13   0.377 -11.983  -3.654
 1230   HG11  VAL  13          HG11      VAL  13   0.388 -10.386  -1.801
 1231   HG12  VAL  13          HG12      VAL  13  -0.648  -9.303  -2.733
 1232   HG13  VAL  13          HG13      VAL  13  -1.249 -10.884  -2.229
 1233   HG21  VAL  13          HG21      VAL  13  -1.130  -9.858  -5.174
 1234   HG22  VAL  13          HG22      VAL  13  -0.557 -11.398  -5.813
 1235   HG23  VAL  13          HG23      VAL  13  -1.817 -11.371  -4.580
 1236    H    SER  14           H        SER  14   1.307  -9.416  -6.692
 1237    HA   SER  14           HA       SER  14   2.127 -11.839  -7.983
 1238    HB2  SER  14           HB2      SER  14   0.538 -10.156  -8.972
 1239    HB3  SER  14           HB3      SER  14   1.909  -9.070  -9.189
 1240    HG   SER  14           HG       SER  14   1.089 -10.818 -10.887
 1241    H    THR  15           H        THR  15   3.583  -8.588  -7.738
 1242    HA   THR  15           HA       THR  15   6.096  -9.327  -8.807
 1243    HB   THR  15           HB       THR  15   5.594  -7.050  -6.882
 1244    HG1  THR  15           HG1      THR  15   4.137  -6.555  -8.373
 1245   HG21  THR  15          HG21      THR  15   7.513  -7.328  -9.199
 1246   HG22  THR  15          HG22      THR  15   7.943  -7.481  -7.495
 1247   HG23  THR  15          HG23      THR  15   7.368  -5.938  -8.124
 1248    H    PHE  16           H        PHE  16   4.661  -9.459  -5.649
 1249    HA   PHE  16           HA       PHE  16   6.713  -9.990  -3.924
 1250    HB2  PHE  16           HB2      PHE  16   3.933 -10.521  -4.054
 1251    HB3  PHE  16           HB3      PHE  16   4.702 -12.049  -3.660
 1252    HD1  PHE  16           HD2      PHE  16   6.737 -11.564  -1.830
 1253    HD2  PHE  16           HD1      PHE  16   3.075  -9.459  -2.265
 1254    HE1  PHE  16           HE2      PHE  16   6.847 -10.889   0.530
 1255    HE2  PHE  16           HE1      PHE  16   3.179  -8.782   0.089
 1256    HZ   PHE  16           HZ       PHE  16   5.064  -9.498   1.493
 1257    H    HIS  17           H        HIS  17   4.982 -12.471  -5.786
 1258    HA   HIS  17           HA       HIS  17   6.648 -14.627  -5.241
 1259    HB2  HIS  17           HB2      HIS  17   4.769 -14.026  -7.511
 1260    HB3  HIS  17           HB3      HIS  17   5.724 -15.505  -7.505
 1261    HD1  HIS  17           HD1      HIS  17   4.331 -17.381  -6.770
 1262    HD2  HIS  17           HD2      HIS  17   3.396 -13.878  -4.722
 1263    HE1  HIS  17           HE1      HIS  17   2.528 -18.009  -5.129
 1264    HE2  HIS  17           HE2      HIS  17   2.088 -15.914  -3.797
 1265    H    LYS  18           H        LYS  18   6.940 -12.121  -7.635
 1266    HA   LYS  18           HA       LYS  18   8.716 -13.319  -9.417
 1267    HB2  LYS  18           HB2      LYS  18   7.468 -11.244  -9.845
 1268    HB3  LYS  18           HB3      LYS  18   8.452 -10.406  -8.659
 1269    HG2  LYS  18           HG2      LYS  18  10.431 -10.769 -10.053
 1270    HG3  LYS  18           HG3      LYS  18   9.429 -11.598 -11.246
 1271    HD2  LYS  18           HD2      LYS  18   8.128  -9.578 -11.597
 1272    HD3  LYS  18           HD3      LYS  18   9.045  -8.743 -10.342
 1273    HE2  LYS  18           HE2      LYS  18  11.094  -9.058 -11.699
 1274    HE3  LYS  18           HE3      LYS  18  10.106  -9.780 -12.969
 1275    HZ1  LYS  18           HZ1      LYS  18   9.823  -7.003 -11.928
 1276    HZ2  LYS  18           HZ2      LYS  18   8.881  -7.702 -13.151
 1277    HZ3  LYS  18           HZ3      LYS  18  10.538  -7.441 -13.403
 1278    H    TYR  19           H        TYR  19   9.300 -11.819  -6.292
 1279    HA   TYR  19           HA       TYR  19  12.199 -12.274  -6.683
 1280    HB2  TYR  19           HB2      TYR  19  10.893 -10.092  -5.044
 1281    HB3  TYR  19           HB3      TYR  19  12.626 -10.379  -5.184
 1282    HD1  TYR  19           HD1      TYR  19  13.707 -10.150  -7.464
 1283    HD2  TYR  19           HD2      TYR  19   9.755  -8.808  -6.635
 1284    HE1  TYR  19           HE1      TYR  19  13.765  -8.722  -9.480
 1285    HE2  TYR  19           HE2      TYR  19   9.805  -7.386  -8.634
 1286    HH   TYR  19           HH       TYR  19  11.355  -6.347 -10.117
 1287    H    SER  20           H        SER  20   9.678 -12.078  -4.128
 1288    HA   SER  20           HA       SER  20  11.346 -12.933  -2.061
 1289    HB2  SER  20           HB2      SER  20   9.256 -13.523  -0.855
 1290    HB3  SER  20           HB3      SER  20   9.203 -11.920  -1.588
 1291    HG   SER  20           HG       SER  20   7.964 -12.779  -3.265
 1292    H    GLY  21           H        GLY  21   9.365 -14.832  -4.295
 1293    HA2  GLY  21           HA2      GLY  21  10.034 -17.343  -3.041
 1294    HA3  GLY  21           HA3      GLY  21   9.155 -17.129  -4.547
 1295    H    LYS  22           H        LYS  22  12.331 -15.923  -3.673
 1296    HA   LYS  22           HA       LYS  22  13.526 -17.547  -5.823
 1297    HB2  LYS  22           HB2      LYS  22  13.380 -15.234  -6.505
 1298    HB3  LYS  22           HB3      LYS  22  14.079 -14.697  -4.991
 1299    HG2  LYS  22           HG2      LYS  22  16.153 -16.033  -5.729
 1300    HG3  LYS  22           HG3      LYS  22  15.413 -15.977  -7.335
 1301    HD2  LYS  22           HD2      LYS  22  15.994 -13.580  -5.593
 1302    HD3  LYS  22           HD3      LYS  22  16.965 -14.095  -6.975
 1303    HE2  LYS  22           HE2      LYS  22  15.303 -13.490  -8.488
 1304    HE3  LYS  22           HE3      LYS  22  14.045 -13.502  -7.250
 1305    HZ1  LYS  22           HZ1      LYS  22  15.097 -11.563  -6.233
 1306    HZ2  LYS  22           HZ2      LYS  22  14.625 -11.251  -7.833
 1307    HZ3  LYS  22           HZ3      LYS  22  16.256 -11.524  -7.476
 1308    H    GLU  23           H        GLU  23  14.576 -15.488  -3.089
 1309    HA   GLU  23           HA       GLU  23  16.428 -17.632  -2.295
 1310    HB2  GLU  23           HB2      GLU  23  16.324 -14.740  -1.420
 1311    HB3  GLU  23           HB3      GLU  23  17.521 -15.918  -0.901
 1312    HG2  GLU  23           HG2      GLU  23  18.217 -16.156  -3.276
 1313    HG3  GLU  23           HG3      GLU  23  17.123 -14.831  -3.675
 1314    H    GLY  24           H        GLY  24  13.384 -17.175  -1.703
 1315    HA2  GLY  24           HA2      GLY  24  13.440 -18.443   0.829
 1316    HA3  GLY  24           HA3      GLY  24  13.040 -16.743   1.024
 1317    H    ASP  25           H        ASP  25  10.985 -17.205   1.773
 1318    HA   ASP  25           HA       ASP  25   9.140 -18.777   0.243
 1319    HB2  ASP  25           HB2      ASP  25   8.762 -16.971   2.634
 1320    HB3  ASP  25           HB3      ASP  25   7.454 -17.885   1.888
 1321    H    LYS  26           H        LYS  26   7.232 -18.007  -0.722
 1322    HA   LYS  26           HA       LYS  26   7.778 -15.714  -2.360
 1323    HB2  LYS  26           HB2      LYS  26   5.257 -16.528  -3.097
 1324    HB3  LYS  26           HB3      LYS  26   6.763 -17.089  -3.803
 1325    HG2  LYS  26           HG2      LYS  26   5.369 -18.970  -3.312
 1326    HG3  LYS  26           HG3      LYS  26   6.751 -18.997  -2.226
 1327    HD2  LYS  26           HD2      LYS  26   5.051 -19.453  -0.751
 1328    HD3  LYS  26           HD3      LYS  26   5.095 -17.694  -0.634
 1329    HE2  LYS  26           HE2      LYS  26   3.283 -17.565  -2.301
 1330    HE3  LYS  26           HE3      LYS  26   3.222 -19.327  -2.343
 1331    HZ1  LYS  26           HZ1      LYS  26   1.531 -18.674  -0.883
 1332    HZ2  LYS  26           HZ2      LYS  26   2.505 -17.529  -0.103
 1333    HZ3  LYS  26           HZ3      LYS  26   2.792 -19.185   0.134
 1334    H    PHE  27           H        PHE  27   6.886 -15.519   0.594
 1335    HA   PHE  27           HA       PHE  27   5.044 -13.284   0.086
 1336    HB2  PHE  27           HB2      PHE  27   3.930 -13.789   2.280
 1337    HB3  PHE  27           HB3      PHE  27   3.632 -14.979   1.021
 1338    HD1  PHE  27           HD2      PHE  27   6.070 -14.379   3.798
 1339    HD2  PHE  27           HD1      PHE  27   3.717 -17.178   1.622
 1340    HE1  PHE  27           HE2      PHE  27   6.803 -16.169   5.315
 1341    HE2  PHE  27           HE1      PHE  27   4.444 -18.971   3.139
 1342    HZ   PHE  27           HZ       PHE  27   5.990 -18.469   4.986
 1343    H    LYS  28           H        LYS  28   8.060 -13.860   0.841
 1344    HA   LYS  28           HA       LYS  28   8.232 -11.477   2.455
 1345    HB2  LYS  28           HB2      LYS  28   9.535 -12.476   4.264
 1346    HB3  LYS  28           HB3      LYS  28   7.926 -13.175   4.177
 1347    HG2  LYS  28           HG2      LYS  28   8.898 -15.162   4.235
 1348    HG3  LYS  28           HG3      LYS  28   9.489 -14.839   2.602
 1349    HD2  LYS  28           HD2      LYS  28  11.476 -13.741   3.601
 1350    HD3  LYS  28           HD3      LYS  28  10.895 -14.219   5.192
 1351    HE2  LYS  28           HE2      LYS  28  10.968 -16.579   4.515
 1352    HE3  LYS  28           HE3      LYS  28  11.605 -16.101   2.944
 1353    HZ1  LYS  28           HZ1      LYS  28  13.572 -15.249   4.002
 1354    HZ2  LYS  28           HZ2      LYS  28  13.329 -16.846   4.505
 1355    HZ3  LYS  28           HZ3      LYS  28  12.940 -15.564   5.547
 1356    H    LEU  29           H        LEU  29  10.032 -10.334   2.054
 1357    HA   LEU  29           HA       LEU  29  11.957 -11.559   0.178
 1358    HB2  LEU  29           HB2      LEU  29  11.108  -8.672   0.441
 1359    HB3  LEU  29           HB3      LEU  29  12.377  -9.239  -0.623
 1360    HG   LEU  29           HG       LEU  29  10.523 -10.703  -1.687
 1361   HD11  LEU  29          HD11      LEU  29   8.868  -8.613  -0.296
 1362   HD12  LEU  29          HD12      LEU  29   8.290  -9.730  -1.534
 1363   HD13  LEU  29          HD13      LEU  29   8.841 -10.346   0.024
 1364   HD21  LEU  29          HD21      LEU  29  10.523  -7.705  -2.007
 1365   HD22  LEU  29          HD22      LEU  29  11.616  -8.836  -2.806
 1366   HD23  LEU  29          HD23      LEU  29   9.891  -8.868  -3.172
 1367    H    ASN  30           H        ASN  30  14.144 -11.292   0.512
 1368    HA   ASN  30           HA       ASN  30  14.931 -10.003   3.017
 1369    HB2  ASN  30           HB2      ASN  30  16.988 -11.153   2.887
 1370    HB3  ASN  30           HB3      ASN  30  15.799 -12.323   2.333
 1371   HD21  ASN  30          HD21      ASN  30  15.836 -13.000   0.219
 1372   HD22  ASN  30          HD22      ASN  30  17.124 -12.610  -0.863
 1373    H    LYS  31           H        LYS  31  17.396  -9.023   2.532
 1374    HA   LYS  31           HA       LYS  31  16.992  -6.512   1.517
 1375    HB2  LYS  31           HB2      LYS  31  19.588  -8.063   1.433
 1376    HB3  LYS  31           HB3      LYS  31  19.443  -6.320   1.291
 1377    HG2  LYS  31           HG2      LYS  31  18.598  -6.183   3.558
 1378    HG3  LYS  31           HG3      LYS  31  18.672  -7.942   3.704
 1379    HD2  LYS  31           HD2      LYS  31  21.116  -7.816   3.269
 1380    HD3  LYS  31           HD3      LYS  31  20.988  -6.057   3.293
 1381    HE2  LYS  31           HE2      LYS  31  20.248  -6.097   5.588
 1382    HE3  LYS  31           HE3      LYS  31  20.208  -7.860   5.579
 1383    HZ1  LYS  31           HZ1      LYS  31  22.210  -7.062   6.648
 1384    HZ2  LYS  31           HZ2      LYS  31  22.633  -6.169   5.269
 1385    HZ3  LYS  31           HZ3      LYS  31  22.608  -7.860   5.205
 1386    H    SER  32           H        SER  32  18.492  -9.230  -0.222
 1387    HA   SER  32           HA       SER  32  19.044  -7.773  -2.573
 1388    HB2  SER  32           HB2      SER  32  20.263  -9.796  -1.937
 1389    HB3  SER  32           HB3      SER  32  18.801 -10.757  -2.147
 1390    HG   SER  32           HG       SER  32  18.997 -10.655  -4.263
 1391    H    GLU  33           H        GLU  33  16.165  -9.368  -1.483
 1392    HA   GLU  33           HA       GLU  33  15.045  -9.663  -4.118
 1393    HB2  GLU  33           HB2      GLU  33  13.644  -9.803  -1.448
 1394    HB3  GLU  33           HB3      GLU  33  13.023 -10.382  -2.988
 1395    HG2  GLU  33           HG2      GLU  33  15.446 -11.459  -1.570
 1396    HG3  GLU  33           HG3      GLU  33  13.843 -12.188  -1.558
 1397    H    LEU  34           H        LEU  34  14.547  -7.493  -1.347
 1398    HA   LEU  34           HA       LEU  34  12.727  -5.762  -2.649
 1399    HB2  LEU  34           HB2      LEU  34  14.602  -5.455  -0.328
 1400    HB3  LEU  34           HB3      LEU  34  13.712  -4.075  -0.942
 1401    HG   LEU  34           HG       LEU  34  12.373  -6.617  -0.026
 1402   HD11  LEU  34          HD11      LEU  34  11.822  -5.342   2.021
 1403   HD12  LEU  34          HD12      LEU  34  13.546  -5.681   1.861
 1404   HD13  LEU  34          HD13      LEU  34  12.928  -4.072   1.493
 1405   HD21  LEU  34          HD21      LEU  34  10.395  -5.171   0.060
 1406   HD22  LEU  34          HD22      LEU  34  11.357  -3.822  -0.554
 1407   HD23  LEU  34          HD23      LEU  34  11.080  -5.242  -1.565
 1408    H    LYS  35           H        LYS  35  16.211  -5.920  -2.466
 1409    HA   LYS  35           HA       LYS  35  17.050  -3.654  -3.732
 1410    HB2  LYS  35           HB2      LYS  35  18.555  -5.378  -2.894
 1411    HB3  LYS  35           HB3      LYS  35  18.007  -6.496  -4.131
 1412    HG2  LYS  35           HG2      LYS  35  20.045  -5.761  -4.925
 1413    HG3  LYS  35           HG3      LYS  35  18.887  -4.758  -5.798
 1414    HD2  LYS  35           HD2      LYS  35  19.279  -2.918  -4.267
 1415    HD3  LYS  35           HD3      LYS  35  20.362  -3.929  -3.302
 1416    HE2  LYS  35           HE2      LYS  35  21.849  -4.164  -5.233
 1417    HE3  LYS  35           HE3      LYS  35  20.775  -3.136  -6.179
 1418    HZ1  LYS  35           HZ1      LYS  35  22.108  -2.256  -3.680
 1419    HZ2  LYS  35           HZ2      LYS  35  21.272  -1.293  -4.796
 1420    HZ3  LYS  35           HZ3      LYS  35  22.751  -1.991  -5.226
 1421    H    GLU  36           H        GLU  36  16.242  -6.706  -5.406
 1422    HA   GLU  36           HA       GLU  36  16.262  -5.457  -7.954
 1423    HB2  GLU  36           HB2      GLU  36  15.368  -8.142  -6.981
 1424    HB3  GLU  36           HB3      GLU  36  15.069  -7.614  -8.630
 1425    HG2  GLU  36           HG2      GLU  36  17.410  -7.339  -9.032
 1426    HG3  GLU  36           HG3      GLU  36  17.779  -7.729  -7.353
 1427    H    LEU  37           H        LEU  37  13.698  -6.206  -5.650
 1428    HA   LEU  37           HA       LEU  37  11.441  -5.781  -7.186
 1429    HB2  LEU  37           HB2      LEU  37  11.592  -6.367  -4.708
 1430    HB3  LEU  37           HB3      LEU  37  11.809  -4.648  -4.419
 1431    HG   LEU  37           HG       LEU  37   9.543  -4.538  -5.837
 1432   HD11  LEU  37          HD11      LEU  37   9.398  -7.197  -4.418
 1433   HD12  LEU  37          HD12      LEU  37   8.054  -6.360  -5.190
 1434   HD13  LEU  37          HD13      LEU  37   9.401  -6.951  -6.164
 1435   HD21  LEU  37          HD21      LEU  37   9.740  -5.150  -2.894
 1436   HD22  LEU  37          HD22      LEU  37   9.907  -3.562  -3.643
 1437   HD23  LEU  37          HD23      LEU  37   8.360  -4.407  -3.700
 1438    H    LEU  38           H        LEU  38  13.232  -3.334  -5.322
 1439    HA   LEU  38           HA       LEU  38  11.744  -1.170  -6.420
 1440    HB2  LEU  38           HB2      LEU  38  14.180  -1.344  -4.685
 1441    HB3  LEU  38           HB3      LEU  38  13.623   0.198  -5.313
 1442    HG   LEU  38           HG       LEU  38  11.354  -0.993  -4.176
 1443   HD11  LEU  38          HD11      LEU  38  13.755  -1.314  -2.390
 1444   HD12  LEU  38          HD12      LEU  38  12.070  -1.439  -1.876
 1445   HD13  LEU  38          HD13      LEU  38  12.733  -2.603  -3.027
 1446   HD21  LEU  38          HD21      LEU  38  11.540   0.843  -2.566
 1447   HD22  LEU  38          HD22      LEU  38  13.206   1.122  -3.070
 1448   HD23  LEU  38          HD23      LEU  38  11.884   1.390  -4.206
 1449    H    THR  39           H        THR  39  14.934  -2.561  -7.175
 1450    HA   THR  39           HA       THR  39  15.778  -0.421  -8.816
 1451    HB   THR  39           HB       THR  39  17.350  -2.093  -9.851
 1452    HG1  THR  39           HG1      THR  39  16.490  -3.876  -7.835
 1453   HG21  THR  39          HG21      THR  39  18.672  -2.389  -7.828
 1454   HG22  THR  39          HG22      THR  39  17.260  -2.008  -6.846
 1455   HG23  THR  39          HG23      THR  39  17.967  -0.772  -7.889
 1456    H    ARG  40           H        ARG  40  13.771  -3.200  -9.451
 1457    HA   ARG  40           HA       ARG  40  13.914  -2.849 -12.320
 1458    HB2  ARG  40           HB2      ARG  40  12.310  -4.716 -10.586
 1459    HB3  ARG  40           HB3      ARG  40  12.261  -4.728 -12.344
 1460    HG2  ARG  40           HG2      ARG  40  14.675  -5.269 -10.627
 1461    HG3  ARG  40           HG3      ARG  40  13.707  -6.478 -11.471
 1462    HD2  ARG  40           HD2      ARG  40  15.349  -4.285 -12.720
 1463    HD3  ARG  40           HD3      ARG  40  15.716  -6.010 -12.716
 1464    HE   ARG  40           HE       ARG  40  13.181  -5.570 -13.880
 1465   HH11  ARG  40          HH12      ARG  40  16.601  -5.185 -14.541
 1466   HH12  ARG  40          HH11      ARG  40  16.400  -5.258 -16.269
 1467   HH21  ARG  40          HH22      ARG  40  12.911  -5.637 -16.136
 1468   HH22  ARG  40          HH21      ARG  40  14.296  -5.511 -17.182
 1469    H    GLU  41           H        GLU  41  11.200  -2.860  -9.961
 1470    HA   GLU  41           HA       GLU  41   9.666  -1.407 -11.983
 1471    HB2  GLU  41           HB2      GLU  41   8.890  -3.277  -9.812
 1472    HB3  GLU  41           HB3      GLU  41   7.734  -2.041 -10.296
 1473    HG2  GLU  41           HG2      GLU  41   7.197  -3.918 -11.601
 1474    HG3  GLU  41           HG3      GLU  41   8.081  -2.841 -12.665
 1475    H    LEU  42           H        LEU  42  11.266  -0.705  -9.062
 1476    HA   LEU  42           HA       LEU  42   9.558   1.699  -8.843
 1477    HB2  LEU  42           HB2      LEU  42  11.087   0.345  -6.624
 1478    HB3  LEU  42           HB3      LEU  42  10.203   1.848  -6.467
 1479    HG   LEU  42           HG       LEU  42   8.180   0.354  -7.285
 1480   HD11  LEU  42          HD11      LEU  42   9.455  -1.655  -7.671
 1481   HD12  LEU  42          HD12      LEU  42  10.043  -1.631  -6.006
 1482   HD13  LEU  42          HD13      LEU  42   8.331  -1.899  -6.334
 1483   HD21  LEU  42          HD21      LEU  42   8.272   1.569  -5.188
 1484   HD22  LEU  42          HD22      LEU  42   7.630  -0.054  -4.936
 1485   HD23  LEU  42          HD23      LEU  42   9.297   0.315  -4.487
 1486    HA   PRO  43           HA       PRO  43  14.250   2.634  -9.377
 1487    HB2  PRO  43           HB2      PRO  43  13.746   3.580 -12.090
 1488    HB3  PRO  43           HB3      PRO  43  14.928   2.397 -11.529
 1489    HG2  PRO  43           HG2      PRO  43  12.776   1.713 -13.019
 1490    HG3  PRO  43           HG3      PRO  43  13.485   0.631 -11.808
 1491    HD2  PRO  43           HD2      PRO  43  11.048   2.358 -11.608
 1492    HD3  PRO  43           HD3      PRO  43  11.305   0.698 -11.024
 1493    H    SER  44           H        SER  44  11.335   4.206 -10.405
 1494    HA   SER  44           HA       SER  44  12.269   6.873 -10.377
 1495    HB2  SER  44           HB2      SER  44   9.443   5.930  -9.852
 1496    HB3  SER  44           HB3      SER  44   9.952   7.478 -10.530
 1497    HG   SER  44           HG       SER  44   9.335   5.290 -11.852
 1498    H    PHE  45           H        PHE  45  10.965   4.719  -7.921
 1499    HA   PHE  45           HA       PHE  45  10.717   6.861  -5.955
 1500    HB2  PHE  45           HB2      PHE  45  10.243   3.912  -5.492
 1501    HB3  PHE  45           HB3      PHE  45   9.619   5.268  -4.566
 1502    HD1  PHE  45           HD1      PHE  45   7.813   6.681  -5.531
 1503    HD2  PHE  45           HD2      PHE  45   9.140   3.088  -7.378
 1504    HE1  PHE  45           HE1      PHE  45   5.729   6.578  -6.827
 1505    HE2  PHE  45           HE2      PHE  45   7.066   2.984  -8.683
 1506    HZ   PHE  45           HZ       PHE  45   5.355   4.723  -8.408
 1507    H    LEU  46           H        LEU  46  13.421   5.946  -6.924
 1508    HA   LEU  46           HA       LEU  46  14.392   5.008  -4.327
 1509    HB2  LEU  46           HB2      LEU  46  15.935   5.276  -6.911
 1510    HB3  LEU  46           HB3      LEU  46  16.552   4.618  -5.407
 1511    HG   LEU  46           HG       LEU  46  14.586   3.416  -7.321
 1512   HD11  LEU  46          HD11      LEU  46  17.041   2.372  -5.928
 1513   HD12  LEU  46          HD12      LEU  46  16.021   1.445  -7.031
 1514   HD13  LEU  46          HD13      LEU  46  16.908   2.852  -7.620
 1515   HD21  LEU  46          HD21      LEU  46  14.817   2.802  -4.378
 1516   HD22  LEU  46          HD22      LEU  46  13.377   3.196  -5.314
 1517   HD23  LEU  46          HD23      LEU  46  14.182   1.649  -5.554
 1518    H    GLY  47           H        GLY  47  14.376   7.716  -6.461
 1519    HA2  GLY  47           HA2      GLY  47  14.869   9.929  -6.170
 1520    HA3  GLY  47           HA3      GLY  47  14.917   9.610  -4.449
 1521    H    LYS  48           H        LYS  48  17.073   7.806  -4.452
 1522    HA   LYS  48           HA       LYS  48  19.291   9.359  -5.621
 1523    HB2  LYS  48           HB2      LYS  48  19.311   9.493  -3.168
 1524    HB3  LYS  48           HB3      LYS  48  19.274   7.740  -3.057
 1525    HG2  LYS  48           HG2      LYS  48  21.459   7.688  -4.248
 1526    HG3  LYS  48           HG3      LYS  48  21.498   9.449  -4.139
 1527    HD2  LYS  48           HD2      LYS  48  21.385   9.283  -1.691
 1528    HD3  LYS  48           HD3      LYS  48  21.379   7.523  -1.818
 1529    HE2  LYS  48           HE2      LYS  48  23.582   9.387  -2.694
 1530    HE3  LYS  48           HE3      LYS  48  23.608   8.311  -1.298
 1531    HZ1  LYS  48           HZ1      LYS  48  23.431   6.419  -2.823
 1532    HZ2  LYS  48           HZ2      LYS  48  24.822   7.341  -3.126
 1533    HZ3  LYS  48           HZ3      LYS  48  23.479   7.481  -4.148
 1534    H    ARG  49           H        ARG  49  19.118   6.199  -4.074
 1535    HA   ARG  49           HA       ARG  49  18.956   4.440  -6.129
 1536    HB2  ARG  49           HB2      ARG  49  20.930   5.577  -7.145
 1537    HB3  ARG  49           HB3      ARG  49  21.869   5.171  -5.715
 1538    HG2  ARG  49           HG2      ARG  49  22.318   3.644  -7.566
 1539    HG3  ARG  49           HG3      ARG  49  21.610   2.805  -6.182
 1540    HD2  ARG  49           HD2      ARG  49  20.608   2.030  -8.260
 1541    HD3  ARG  49           HD3      ARG  49  19.417   2.868  -7.267
 1542    HE   ARG  49           HE       ARG  49  20.396   4.792  -8.950
 1543   HH11  ARG  49          HH12      ARG  49  18.965   1.634  -9.421
 1544   HH12  ARG  49          HH11      ARG  49  18.156   2.068 -10.893
 1545   HH21  ARG  49          HH22      ARG  49  19.345   5.379 -10.891
 1546   HH22  ARG  49          HH21      ARG  49  18.369   4.199 -11.735
 1547    H    THR  50           H        THR  50  19.125   2.363  -5.325
 1548    HA   THR  50           HA       THR  50  19.395   2.081  -2.518
 1549    HB   THR  50           HB       THR  50  19.288  -0.418  -3.138
 1550    HG1  THR  50           HG1      THR  50  19.906   0.093  -5.413
 1551   HG21  THR  50          HG21      THR  50  16.875  -0.269  -3.548
 1552   HG22  THR  50          HG22      THR  50  17.046   1.445  -3.927
 1553   HG23  THR  50          HG23      THR  50  17.382   0.867  -2.295
 1554    H    ASP  51           H        ASP  51  21.396   2.548  -1.762
 1555    HA   ASP  51           HA       ASP  51  23.779   1.438  -2.960
 1556    HB2  ASP  51           HB2      ASP  51  23.303   3.105  -0.489
 1557    HB3  ASP  51           HB3      ASP  51  24.892   2.496  -0.931
 1558    H    GLU  52           H        GLU  52  25.401   0.557  -1.144
 1559    HA   GLU  52           HA       GLU  52  24.162  -1.917  -0.275
 1560    HB2  GLU  52           HB2      GLU  52  27.038  -0.990  -0.150
 1561    HB3  GLU  52           HB3      GLU  52  26.476  -2.607   0.252
 1562    HG2  GLU  52           HG2      GLU  52  25.712  -2.921  -2.041
 1563    HG3  GLU  52           HG3      GLU  52  26.261  -1.294  -2.447
 1564    H    ALA  53           H        ALA  53  26.160   0.621   1.230
 1565    HA   ALA  53           HA       ALA  53  25.734  -0.267   3.891
 1566    HB1  ALA  53           HB1      ALA  53  27.633   1.140   3.289
 1567    HB2  ALA  53           HB2      ALA  53  26.538   2.466   2.893
 1568    HB3  ALA  53           HB3      ALA  53  26.666   1.897   4.559
 1569    H    ALA  54           H        ALA  54  23.807   1.473   1.694
 1570    HA   ALA  54           HA       ALA  54  22.106   2.635   3.738
 1571    HB1  ALA  54           HB1      ALA  54  22.508   3.861   1.659
 1572    HB2  ALA  54           HB2      ALA  54  21.770   2.535   0.750
 1573    HB3  ALA  54           HB3      ALA  54  20.795   3.483   1.876
 1574    H    PHE  55           H        PHE  55  22.168  -0.093   1.541
 1575    HA   PHE  55           HA       PHE  55  19.422  -0.750   1.883
 1576    HB2  PHE  55           HB2      PHE  55  21.258  -1.533   0.075
 1577    HB3  PHE  55           HB3      PHE  55  21.257  -2.940   1.139
 1578    HD1  PHE  55           HD1      PHE  55  18.898  -3.836   1.802
 1579    HD2  PHE  55           HD2      PHE  55  19.687  -1.398  -1.592
 1580    HE1  PHE  55           HE1      PHE  55  16.797  -4.590   0.779
 1581    HE2  PHE  55           HE2      PHE  55  17.587  -2.151  -2.624
 1582    HZ   PHE  55           HZ       PHE  55  16.137  -3.745  -1.435
 1583    H    GLN  56           H        GLN  56  22.369  -1.685   3.567
 1584    HA   GLN  56           HA       GLN  56  21.216  -3.737   5.123
 1585    HB2  GLN  56           HB2      GLN  56  23.071  -3.407   6.676
 1586    HB3  GLN  56           HB3      GLN  56  23.642  -3.407   5.016
 1587    HG2  GLN  56           HG2      GLN  56  23.742  -0.952   5.076
 1588    HG3  GLN  56           HG3      GLN  56  23.232  -0.994   6.765
 1589   HE21  GLN  56          HE21      GLN  56  25.132  -0.023   7.478
 1590   HE22  GLN  56          HE22      GLN  56  26.639  -0.885   7.519
 1591    H    LYS  57           H        LYS  57  20.951  -0.317   5.194
 1592    HA   LYS  57           HA       LYS  57  19.545  -0.233   7.713
 1593    HB2  LYS  57           HB2      LYS  57  19.869   1.779   5.472
 1594    HB3  LYS  57           HB3      LYS  57  18.926   2.092   6.925
 1595    HG2  LYS  57           HG2      LYS  57  20.886   1.898   8.298
 1596    HG3  LYS  57           HG3      LYS  57  21.856   1.409   6.906
 1597    HD2  LYS  57           HD2      LYS  57  21.618   3.558   5.893
 1598    HD3  LYS  57           HD3      LYS  57  20.423   4.069   7.098
 1599    HE2  LYS  57           HE2      LYS  57  23.331   3.414   7.626
 1600    HE3  LYS  57           HE3      LYS  57  22.638   5.034   7.534
 1601    HZ1  LYS  57           HZ1      LYS  57  21.835   2.966   9.516
 1602    HZ2  LYS  57           HZ2      LYS  57  21.296   4.573   9.459
 1603    HZ3  LYS  57           HZ3      LYS  57  22.918   4.232   9.828
 1604    H    LEU  58           H        LEU  58  18.755   0.000   4.269
 1605    HA   LEU  58           HA       LEU  58  16.078   0.580   4.385
 1606    HB2  LEU  58           HB2      LEU  58  17.407   0.571   2.327
 1607    HB3  LEU  58           HB3      LEU  58  17.454  -1.182   2.364
 1608    HG   LEU  58           HG       LEU  58  14.976  -1.213   2.144
 1609   HD11  LEU  58          HD11      LEU  58  13.785   0.774   1.593
 1610   HD12  LEU  58          HD12      LEU  58  14.647   1.055   3.105
 1611   HD13  LEU  58          HD13      LEU  58  15.270   1.732   1.594
 1612   HD21  LEU  58          HD21      LEU  58  16.487  -1.391   0.179
 1613   HD22  LEU  58          HD22      LEU  58  14.906  -0.695  -0.189
 1614   HD23  LEU  58          HD23      LEU  58  16.320   0.352  -0.049
 1615    H    MET  59           H        MET  59  17.422  -2.691   4.045
 1616    HA   MET  59           HA       MET  59  15.160  -4.199   4.051
 1617    HB2  MET  59           HB2      MET  59  17.044  -5.457   3.791
 1618    HB3  MET  59           HB3      MET  59  17.919  -4.612   5.050
 1619    HG2  MET  59           HG2      MET  59  17.440  -7.018   5.497
 1620    HG3  MET  59           HG3      MET  59  16.925  -5.902   6.755
 1621    HE1  MET  59           HE1      MET  59  14.508  -6.220   3.501
 1622    HE2  MET  59           HE2      MET  59  15.791  -7.442   3.464
 1623    HE3  MET  59           HE3      MET  59  14.116  -7.930   3.752
 1624    H    SER  60           H        SER  60  16.901  -3.327   7.035
 1625    HA   SER  60           HA       SER  60  14.669  -4.322   8.582
 1626    HB2  SER  60           HB2      SER  60  16.972  -4.889   9.201
 1627    HB3  SER  60           HB3      SER  60  17.318  -3.182   9.480
 1628    HG   SER  60           HG       SER  60  15.097  -4.108  10.817
 1629    H    ASN  61           H        ASN  61  15.389  -1.479   7.101
 1630    HA   ASN  61           HA       ASN  61  14.274   0.360   9.002
 1631    HB2  ASN  61           HB2      ASN  61  15.499   0.533   6.457
 1632    HB3  ASN  61           HB3      ASN  61  13.877   1.190   6.277
 1633   HD21  ASN  61          HD21      ASN  61  13.339   3.074   7.286
 1634   HD22  ASN  61          HD22      ASN  61  14.500   4.090   8.068
 1635    H    LEU  62           H        LEU  62  13.204  -1.779   6.500
 1636    HA   LEU  62           HA       LEU  62  10.399  -1.174   6.960
 1637    HB2  LEU  62           HB2      LEU  62  11.893  -3.160   5.265
 1638    HB3  LEU  62           HB3      LEU  62  10.176  -3.343   5.548
 1639    HG   LEU  62           HG       LEU  62  10.561  -2.297   3.418
 1640   HD11  LEU  62          HD11      LEU  62   8.593  -1.638   4.737
 1641   HD12  LEU  62          HD12      LEU  62   9.515  -0.278   5.390
 1642   HD13  LEU  62          HD13      LEU  62   9.151  -0.356   3.665
 1643   HD21  LEU  62          HD21      LEU  62  12.727  -1.297   3.796
 1644   HD22  LEU  62          HD22      LEU  62  11.585  -0.076   3.232
 1645   HD23  LEU  62          HD23      LEU  62  12.024  -0.153   4.939
 1646    H    ASP  63           H        ASP  63  12.321  -4.140   7.066
 1647    HA   ASP  63           HA       ASP  63  10.600  -5.625   8.664
 1648    HB2  ASP  63           HB2      ASP  63  12.246  -6.771   7.401
 1649    HB3  ASP  63           HB3      ASP  63  13.557  -5.848   8.125
 1650    H    SER  64           H        SER  64   9.893  -4.941  10.546
 1651    HA   SER  64           HA       SER  64  11.617  -3.519  12.385
 1652    HB2  SER  64           HB2      SER  64   8.727  -4.376  12.660
 1653    HB3  SER  64           HB3      SER  64   9.581  -3.267  13.733
 1654    HG   SER  64           HG       SER  64   8.673  -2.886  11.109
 1655    H    ASN  65           H        ASN  65  10.934  -6.730  11.740
 1656    HA   ASN  65           HA       ASN  65  11.133  -7.700  14.455
 1657    HB2  ASN  65           HB2      ASN  65   9.865  -8.931  12.696
 1658    HB3  ASN  65           HB3      ASN  65  11.376  -9.215  11.839
 1659   HD21  ASN  65          HD21      ASN  65  11.214 -11.428  11.981
 1660   HD22  ASN  65          HD22      ASN  65  11.429 -12.291  13.468
 1661    H    ARG  66           H        ARG  66  13.215  -6.694  11.978
 1662    HA   ARG  66           HA       ARG  66  15.458  -6.623  11.691
 1663    HB2  ARG  66           HB2      ARG  66  15.520  -7.215  14.659
 1664    HB3  ARG  66           HB3      ARG  66  16.884  -6.644  13.707
 1665    HG2  ARG  66           HG2      ARG  66  15.604  -4.594  13.181
 1666    HG3  ARG  66           HG3      ARG  66  14.321  -5.161  14.248
 1667    HD2  ARG  66           HD2      ARG  66  15.708  -3.593  15.436
 1668    HD3  ARG  66           HD3      ARG  66  15.940  -5.204  16.113
 1669    HE   ARG  66           HE       ARG  66  18.054  -5.305  14.901
 1670   HH11  ARG  66          HH12      ARG  66  16.558  -2.150  15.229
 1671   HH12  ARG  66          HH11      ARG  66  18.061  -1.280  15.063
 1672   HH21  ARG  66          HH22      ARG  66  20.032  -4.158  14.688
 1673   HH22  ARG  66          HH21      ARG  66  20.022  -2.420  14.746
 1674    H    ASP  67           H        ASP  67  14.450  -8.811  10.743
 1675    HA   ASP  67           HA       ASP  67  16.150 -11.020  11.726
 1676    HB2  ASP  67           HB2      ASP  67  13.692 -11.320  12.160
 1677    HB3  ASP  67           HB3      ASP  67  13.432 -11.279  10.418
 1678    H    ASN  68           H        ASN  68  15.319  -8.933   9.244
 1679    HA   ASN  68           HA       ASN  68  16.393  -8.510   7.289
 1680    HB2  ASN  68           HB2      ASN  68  17.890 -11.030   7.963
 1681    HB3  ASN  68           HB3      ASN  68  18.098 -10.229   6.410
 1682   HD21  ASN  68          HD21      ASN  68  17.485  -8.493   9.387
 1683   HD22  ASN  68          HD22      ASN  68  19.053  -7.764   9.509
 1684    H    GLU  69           H        GLU  69  13.894  -9.782   7.562
 1685    HA   GLU  69           HA       GLU  69  13.574 -10.492   4.806
 1686    HB2  GLU  69           HB2      GLU  69  12.170 -12.498   5.316
 1687    HB3  GLU  69           HB3      GLU  69  13.880 -12.718   5.650
 1688    HG2  GLU  69           HG2      GLU  69  13.541 -12.579   7.981
 1689    HG3  GLU  69           HG3      GLU  69  11.896 -11.978   7.777
 1690    H    VAL  70           H        VAL  70  12.142  -9.078   4.221
 1691    HA   VAL  70           HA       VAL  70  10.216  -7.975   6.040
 1692    HB   VAL  70           HB       VAL  70  10.939  -7.480   3.173
 1693   HG11  VAL  70          HG11      VAL  70   8.509  -6.357   4.563
 1694   HG12  VAL  70          HG12      VAL  70   9.150  -5.815   3.010
 1695   HG13  VAL  70          HG13      VAL  70   8.502  -7.446   3.176
 1696   HG21  VAL  70          HG21      VAL  70  10.658  -5.661   5.554
 1697   HG22  VAL  70          HG22      VAL  70  12.167  -6.423   5.043
 1698   HG23  VAL  70          HG23      VAL  70  11.368  -5.254   3.989
 1699    H    ASP  71           H        ASP  71   8.562  -9.129   6.612
 1700    HA   ASP  71           HA       ASP  71   7.478 -11.217   4.957
 1701    HB2  ASP  71           HB2      ASP  71   7.735 -11.240   7.517
 1702    HB3  ASP  71           HB3      ASP  71   6.324 -10.185   7.563
 1703    H    PHE  72           H        PHE  72   4.734 -11.093   5.419
 1704    HA   PHE  72           HA       PHE  72   4.049  -9.712   3.115
 1705    HB2  PHE  72           HB2      PHE  72   2.834 -11.620   4.541
 1706    HB3  PHE  72           HB3      PHE  72   1.857 -10.238   5.034
 1707    HD1  PHE  72           HD2      PHE  72   2.396  -8.833   2.244
 1708    HD2  PHE  72           HD1      PHE  72   0.899 -12.628   3.445
 1709    HE1  PHE  72           HE2      PHE  72   1.168  -9.003   0.117
 1710    HE2  PHE  72           HE1      PHE  72  -0.341 -12.806   1.331
 1711    HZ   PHE  72           HZ       PHE  72  -0.208 -10.994  -0.333
 1712    H    GLN  73           H        GLN  73   2.995  -8.773   6.455
 1713    HA   GLN  73           HA       GLN  73   1.727  -6.431   5.460
 1714    HB2  GLN  73           HB2      GLN  73   1.343  -7.607   7.754
 1715    HB3  GLN  73           HB3      GLN  73   2.675  -6.604   8.308
 1716    HG2  GLN  73           HG2      GLN  73   1.400  -4.626   7.407
 1717    HG3  GLN  73           HG3      GLN  73   0.024  -5.715   7.255
 1718   HE21  GLN  73          HE21      GLN  73   2.398  -5.909   9.814
 1719   HE22  GLN  73          HE22      GLN  73   1.346  -5.412  11.088
 1720    H    GLU  74           H        GLU  74   4.957  -7.106   6.636
 1721    HA   GLU  74           HA       GLU  74   5.843  -4.442   6.934
 1722    HB2  GLU  74           HB2      GLU  74   6.904  -6.785   7.607
 1723    HB3  GLU  74           HB3      GLU  74   7.711  -6.603   6.056
 1724    HG2  GLU  74           HG2      GLU  74   9.207  -5.718   7.594
 1725    HG3  GLU  74           HG3      GLU  74   8.420  -4.300   6.894
 1726    H    TYR  75           H        TYR  75   5.648  -6.667   4.257
 1727    HA   TYR  75           HA       TYR  75   7.115  -5.125   2.382
 1728    HB2  TYR  75           HB2      TYR  75   6.771  -7.503   2.057
 1729    HB3  TYR  75           HB3      TYR  75   5.025  -7.284   2.028
 1730    HD1  TYR  75           HD1      TYR  75   3.937  -6.285   0.055
 1731    HD2  TYR  75           HD2      TYR  75   8.115  -7.065   0.150
 1732    HE1  TYR  75           HE1      TYR  75   4.015  -6.056  -2.387
 1733    HE2  TYR  75           HE2      TYR  75   8.212  -6.830  -2.303
 1734    HH   TYR  75           HH       TYR  75   6.709  -7.014  -4.227
 1735    H    CYS  76           H        CYS  76   3.714  -5.342   3.253
 1736    HA   CYS  76           HA       CYS  76   2.910  -3.667   1.095
 1737    HB2  CYS  76           HB2      CYS  76   1.313  -4.496   3.524
 1738    HB3  CYS  76           HB3      CYS  76   0.672  -3.900   1.992
 1739    HG   CYS  76           HG       CYS  76   2.334  -6.871   2.414
 1740    H    VAL  77           H        VAL  77   3.453  -3.192   4.593
 1741    HA   VAL  77           HA       VAL  77   2.579  -0.497   4.630
 1742    HB   VAL  77           HB       VAL  77   2.915  -1.667   6.733
 1743   HG11  VAL  77          HG11      VAL  77   5.793  -1.779   5.899
 1744   HG12  VAL  77          HG12      VAL  77   5.220  -2.130   7.535
 1745   HG13  VAL  77          HG13      VAL  77   4.686  -3.124   6.181
 1746   HG21  VAL  77          HG21      VAL  77   3.153   0.760   6.833
 1747   HG22  VAL  77          HG22      VAL  77   4.241  -0.017   7.984
 1748   HG23  VAL  77          HG23      VAL  77   4.876   0.618   6.467
 1749    H    PHE  78           H        PHE  78   5.590  -2.039   3.751
 1750    HA   PHE  78           HA       PHE  78   7.235   0.109   3.211
 1751    HB2  PHE  78           HB2      PHE  78   8.151  -2.010   2.835
 1752    HB3  PHE  78           HB3      PHE  78   6.769  -2.556   1.901
 1753    HD1  PHE  78           HD1      PHE  78   9.893  -0.679   1.832
 1754    HD2  PHE  78           HD2      PHE  78   6.597  -2.104  -0.460
 1755    HE1  PHE  78           HE1      PHE  78  11.141  -0.229  -0.240
 1756    HE2  PHE  78           HE2      PHE  78   7.839  -1.652  -2.536
 1757    HZ   PHE  78           HZ       PHE  78  10.121  -0.714  -2.423
 1758    H    LEU  79           H        LEU  79   4.740  -1.346   1.182
 1759    HA   LEU  79           HA       LEU  79   4.960   0.397  -0.997
 1760    HB2  LEU  79           HB2      LEU  79   2.861  -1.467   0.001
 1761    HB3  LEU  79           HB3      LEU  79   2.494  -0.386  -1.330
 1762    HG   LEU  79           HG       LEU  79   4.969  -1.674  -1.892
 1763   HD11  LEU  79          HD11      LEU  79   2.713  -3.536  -1.167
 1764   HD12  LEU  79          HD12      LEU  79   4.197  -3.989  -2.007
 1765   HD13  LEU  79          HD13      LEU  79   4.269  -3.413  -0.344
 1766   HD21  LEU  79          HD21      LEU  79   3.002  -0.681  -3.263
 1767   HD22  LEU  79          HD22      LEU  79   3.952  -2.044  -3.905
 1768   HD23  LEU  79          HD23      LEU  79   2.367  -2.335  -3.173
 1769    H    SER  80           H        SER  80   2.607   0.340   1.643
 1770    HA   SER  80           HA       SER  80   1.243   2.643   0.805
 1771    HB2  SER  80           HB2      SER  80   0.508   2.667   3.271
 1772    HB3  SER  80           HB3      SER  80   0.100   1.272   2.278
 1773    HG   SER  80           HG       SER  80   1.018   0.200   3.829
 1774    H    CYS  81           H        CYS  81   4.057   2.127   2.808
 1775    HA   CYS  81           HA       CYS  81   4.465   4.731   3.683
 1776    HB2  CYS  81           HB2      CYS  81   6.011   3.303   4.568
 1777    HB3  CYS  81           HB3      CYS  81   6.279   2.456   3.046
 1778    HG   CYS  81           HG       CYS  81   8.154   4.008   2.079
 1779    H    ILE  82           H        ILE  82   5.627   3.174   0.680
 1780    HA   ILE  82           HA       ILE  82   6.900   5.436  -0.326
 1781    HB   ILE  82           HB       ILE  82   5.573   3.214  -1.902
 1782   HG12  ILE  82          HG12      ILE  82   8.258   3.597  -0.631
 1783   HG13  ILE  82          HG13      ILE  82   7.254   2.154  -0.713
 1784   HG21  ILE  82          HG21      ILE  82   6.910   3.941  -3.775
 1785   HG22  ILE  82          HG22      ILE  82   5.926   5.292  -3.210
 1786   HG23  ILE  82          HG23      ILE  82   7.642   5.218  -2.805
 1787   HD11  ILE  82          HD11      ILE  82   8.892   3.344  -2.940
 1788   HD12  ILE  82          HD12      ILE  82   9.231   1.860  -2.046
 1789   HD13  ILE  82          HD13      ILE  82   7.820   1.944  -3.106
 1790    H    ALA  83           H        ALA  83   3.606   4.276  -1.038
 1791    HA   ALA  83           HA       ALA  83   2.933   6.414  -2.730
 1792    HB1  ALA  83           HB1      ALA  83   0.742   5.605  -2.676
 1793    HB2  ALA  83           HB2      ALA  83   1.762   4.181  -2.447
 1794    HB3  ALA  83           HB3      ALA  83   0.944   4.915  -1.065
 1795    H    MET  84           H        MET  84   2.573   6.009   0.754
 1796    HA   MET  84           HA       MET  84   1.187   8.497   1.108
 1797    HB2  MET  84           HB2      MET  84   0.793   6.703   2.644
 1798    HB3  MET  84           HB3      MET  84   2.502   6.604   3.033
 1799    HG2  MET  84           HG2      MET  84   2.350   8.881   4.006
 1800    HG3  MET  84           HG3      MET  84   0.603   8.821   3.735
 1801    HE1  MET  84           HE1      MET  84   2.369   5.545   4.335
 1802    HE2  MET  84           HE2      MET  84   3.535   6.616   5.166
 1803    HE3  MET  84           HE3      MET  84   2.569   5.431   6.101
 1804    H    MET  85           H        MET  85   4.487   7.414   1.195
 1805    HA   MET  85           HA       MET  85   5.639   9.750   2.247
 1806    HB2  MET  85           HB2      MET  85   6.648   7.440   1.854
 1807    HB3  MET  85           HB3      MET  85   6.924   7.987   0.191
 1808    HG2  MET  85           HG2      MET  85   7.943  10.057   1.494
 1809    HG3  MET  85           HG3      MET  85   8.206   8.825   2.711
 1810    HE1  MET  85           HE1      MET  85  10.460   6.570   1.948
 1811    HE2  MET  85           HE2      MET  85   8.670   6.533   1.902
 1812    HE3  MET  85           HE3      MET  85   9.634   6.070   0.464
 1813    H    CYS  86           H        CYS  86   4.332   8.855  -0.834
 1814    HA   CYS  86           HA       CYS  86   5.368  10.988  -2.404
 1815    HB2  CYS  86           HB2      CYS  86   2.771   9.486  -2.809
 1816    HB3  CYS  86           HB3      CYS  86   3.640  10.413  -4.020
 1817    HG   CYS  86           HG       CYS  86   5.130   7.716  -2.583
 1818    H    ASN  87           H        ASN  87   3.007  10.848   0.042
 1819    HA   ASN  87           HA       ASN  87   1.081  12.622  -0.864
 1820    HB2  ASN  87           HB2      ASN  87   0.778  11.273   1.156
 1821    HB3  ASN  87           HB3      ASN  87   2.035  12.183   1.977
 1822   HD21  ASN  87          HD21      ASN  87  -0.440  13.605  -0.094
 1823   HD22  ASN  87          HD22      ASN  87  -1.252  14.455   1.168
 1824    H    GLU  88           H        GLU  88   4.194  13.323   0.655
 1825    HA   GLU  88           HA       GLU  88   3.638  16.153   0.690
 1826    HB2  GLU  88           HB2      GLU  88   6.282  14.719   0.963
 1827    HB3  GLU  88           HB3      GLU  88   5.981  16.414   1.320
 1828    HG2  GLU  88           HG2      GLU  88   4.368  15.689   3.063
 1829    HG3  GLU  88           HG3      GLU  88   4.884  14.024   2.763
 1830    H    PHE  89           H        PHE  89   5.617  13.966  -1.268
 1831    HA   PHE  89           HA       PHE  89   6.725  16.004  -2.900
 1832    HB2  PHE  89           HB2      PHE  89   6.520  13.016  -3.319
 1833    HB3  PHE  89           HB3      PHE  89   7.494  14.100  -4.310
 1834    HD1  PHE  89           HD2      PHE  89   9.450  15.249  -3.325
 1835    HD2  PHE  89           HD1      PHE  89   7.276  12.276  -1.199
 1836    HE1  PHE  89           HE2      PHE  89  11.334  14.993  -1.764
 1837    HE2  PHE  89           HE1      PHE  89   9.154  12.014   0.366
 1838    HZ   PHE  89           HZ       PHE  89  11.187  13.373   0.087
 1839    H    PHE  90           H        PHE  90   4.628  13.336  -3.919
 1840    HA   PHE  90           HA       PHE  90   3.939  14.632  -6.368
 1841    HB2  PHE  90           HB2      PHE  90   4.132  12.139  -6.004
 1842    HB3  PHE  90           HB3      PHE  90   2.622  12.223  -5.087
 1843    HD1  PHE  90           HD2      PHE  90   0.514  12.783  -6.251
 1844    HD2  PHE  90           HD1      PHE  90   4.159  12.254  -8.379
 1845    HE1  PHE  90           HE2      PHE  90  -0.749  12.558  -8.350
 1846    HE2  PHE  90           HE1      PHE  90   2.904  12.031 -10.483
 1847    HZ   PHE  90           HZ       PHE  90   0.446  12.181 -10.468
 1848    H    GLU  91           H        GLU  91   2.119  13.687  -3.492
 1849    HA   GLU  91           HA       GLU  91  -0.359  14.735  -4.356
 1850    HB2  GLU  91           HB2      GLU  91   0.526  13.087  -2.348
 1851    HB3  GLU  91           HB3      GLU  91   0.061  14.529  -1.463
 1852    HG2  GLU  91           HG2      GLU  91  -1.685  12.916  -3.303
 1853    HG3  GLU  91           HG3      GLU  91  -1.763  12.965  -1.541
 1854    H    GLY  92           H        GLY  92   2.345  16.093  -2.601
 1855    HA2  GLY  92           HA2      GLY  92   2.884  18.379  -2.605
 1856    HA3  GLY  92           HA3      GLY  92   1.234  18.744  -3.083
 1857    H    PHE  93           H        PHE  93   1.995  16.674  -0.384
 1858    HA   PHE  93           HA       PHE  93   2.029  16.934   1.862
 1859    HB2  PHE  93           HB2      PHE  93   3.179  19.086   1.609
 1860    HB3  PHE  93           HB3      PHE  93   1.646  19.886   1.292
 1861    HD1  PHE  93           HD2      PHE  93   3.747  18.320   3.859
 1862    HD2  PHE  93           HD1      PHE  93   0.137  20.422   3.066
 1863    HE1  PHE  93           HE2      PHE  93   3.461  18.733   6.269
 1864    HE2  PHE  93           HE1      PHE  93  -0.162  20.835   5.467
 1865    HZ   PHE  93           HZ       PHE  93   1.505  19.991   7.078
 1866    HA   PRO  94           HA       PRO  94  -2.312  16.499   2.376
 1867    HB2  PRO  94           HB2      PRO  94  -2.496  16.293   5.092
 1868    HB3  PRO  94           HB3      PRO  94  -1.907  14.985   4.060
 1869    HG2  PRO  94           HG2      PRO  94  -0.357  16.983   5.659
 1870    HG3  PRO  94           HG3      PRO  94  -0.070  15.246   5.458
 1871    HD2  PRO  94           HD2      PRO  94   1.328  17.126   4.100
 1872    HD3  PRO  94           HD3      PRO  94   0.968  15.525   3.421
 1873    H    ASP  95           H        ASP  95  -1.567  19.007   1.905
 1874    HA   ASP  95           HA       ASP  95  -3.724  20.557   2.531
 1875    HB2  ASP  95           HB2      ASP  95  -2.920  20.602   4.877
 1876    HB3  ASP  95           HB3      ASP  95  -1.392  21.285   4.340
 1877    H    LYS  96           H        LYS  96  -0.808  22.342   2.970
 1878    HA   LYS  96           HA       LYS  96   0.603  22.111   0.657
 1879    HB2  LYS  96           HB2      LYS  96  -1.613  22.837  -0.429
 1880    HB3  LYS  96           HB3      LYS  96  -1.290  24.427   0.251
 1881    HG2  LYS  96           HG2      LYS  96   0.564  24.771  -1.102
 1882    HG3  LYS  96           HG3      LYS  96   0.757  23.050  -1.441
 1883    HD2  LYS  96           HD2      LYS  96  -0.107  24.122  -3.407
 1884    HD3  LYS  96           HD3      LYS  96  -1.378  23.118  -2.712
 1885    HE2  LYS  96           HE2      LYS  96  -2.353  25.195  -3.374
 1886    HE3  LYS  96           HE3      LYS  96  -2.292  25.159  -1.612
 1887    HZ1  LYS  96           HZ1      LYS  96  -1.601  27.302  -2.536
 1888    HZ2  LYS  96           HZ2      LYS  96  -0.321  26.546  -3.355
 1889    HZ3  LYS  96           HZ3      LYS  96  -0.351  26.564  -1.659
 1890    H    GLN  97           H        GLN  97   2.353  22.700   1.811
 1891    HA   GLN  97           HA       GLN  97   2.313  24.984   3.561
 1892    HB2  GLN  97           HB2      GLN  97   4.665  23.301   2.680
 1893    HB3  GLN  97           HB3      GLN  97   4.648  24.441   4.018
 1894    HG2  GLN  97           HG2      GLN  97   2.875  23.037   5.077
 1895    HG3  GLN  97           HG3      GLN  97   3.148  21.848   3.805
 1896   HE21  GLN  97          HE21      GLN  97   5.173  20.793   3.701
 1897   HE22  GLN  97          HE22      GLN  97   6.170  20.664   5.114
 1898    HA   PRO  98           HA       PRO  98   3.516  27.879   0.464
 1899    HB2  PRO  98           HB2      PRO  98   4.132  29.825   2.478
 1900    HB3  PRO  98           HB3      PRO  98   2.668  29.691   1.505
 1901    HG2  PRO  98           HG2      PRO  98   2.779  29.276   4.226
 1902    HG3  PRO  98           HG3      PRO  98   1.527  28.619   3.158
 1903    HD2  PRO  98           HD2      PRO  98   3.955  27.285   4.288
 1904    HD3  PRO  98           HD3      PRO  98   2.320  26.633   4.036
 1905    H    ARG  99           H        ARG  99   5.664  26.139   1.854
 1906    HA   ARG  99           HA       ARG  99   7.914  27.999   1.482
 1907    HB2  ARG  99           HB2      ARG  99   7.728  27.064   3.765
 1908    HB3  ARG  99           HB3      ARG  99   7.859  25.443   3.099
 1909    HG2  ARG  99           HG2      ARG  99  10.104  25.893   2.336
 1910    HG3  ARG  99           HG3      ARG  99   9.978  27.571   2.867
 1911    HD2  ARG  99           HD2      ARG  99   9.829  25.144   4.648
 1912    HD3  ARG  99           HD3      ARG  99  11.232  26.198   4.462
 1913    HE   ARG  99           HE       ARG  99   9.037  27.777   5.205
 1914   HH11  ARG  99          HH12      ARG  99  11.107  25.279   6.542
 1915   HH12  ARG  99          HH11      ARG  99  10.901  25.817   8.186
 1916   HH21  ARG  99          HH22      ARG  99   8.773  28.488   7.361
 1917   HH22  ARG  99          HH21      ARG  99   9.594  27.648   8.646
 1918    H    LYS 100           H        LYS 100   7.940  24.474   1.584
 1919    HA   LYS 100           HA       LYS 100   8.183  24.106  -1.230
 1920    HB2  LYS 100           HB2      LYS 100  10.424  25.022  -0.842
 1921    HB3  LYS 100           HB3      LYS 100  10.700  23.847   0.436
 1922    HG2  LYS 100           HG2      LYS 100  10.489  22.036  -1.237
 1923    HG3  LYS 100           HG3      LYS 100  10.339  23.261  -2.495
 1924    HD2  LYS 100           HD2      LYS 100  12.695  23.251  -0.643
 1925    HD3  LYS 100           HD3      LYS 100  12.650  22.182  -2.044
 1926    HE2  LYS 100           HE2      LYS 100  13.823  24.174  -2.659
 1927    HE3  LYS 100           HE3      LYS 100  12.265  24.178  -3.478
 1928    HZ1  LYS 100           HZ1      LYS 100  11.428  25.756  -1.915
 1929    HZ2  LYS 100           HZ2      LYS 100  12.893  26.347  -2.526
 1930    HZ3  LYS 100           HZ3      LYS 100  12.837  25.667  -0.972
 1931    H    LYS 101           H        LYS 101   6.713  22.508  -1.015
 1932    HA   LYS 101           HA       LYS 101   5.838  20.458  -0.599
 1933    HB2  LYS 101           HB2      LYS 101   7.988  19.712  -1.595
 1934    HB3  LYS 101           HB3      LYS 101   8.701  19.686   0.012
 1935    HG2  LYS 101           HG2      LYS 101   6.794  18.058   0.591
 1936    HG3  LYS 101           HG3      LYS 101   6.621  17.884  -1.156
 1937    HD2  LYS 101           HD2      LYS 101   8.063  16.143  -0.246
 1938    HD3  LYS 101           HD3      LYS 101   8.969  17.212  -1.318
 1939    HE2  LYS 101           HE2      LYS 101  10.162  16.618   0.794
 1940    HE3  LYS 101           HE3      LYS 101   9.962  18.349   0.532
 1941    HZ1  LYS 101           HZ1      LYS 101   8.135  18.373   2.077
 1942    HZ2  LYS 101           HZ2      LYS 101   9.484  17.671   2.828
 1943    HZ3  LYS 101           HZ3      LYS 101   8.218  16.687   2.281
  Start of MODEL    6
    1    H1   GLN1897           H1       GLN1897 -19.670  -5.873   3.929
    2    H2   GLN1897           H2       GLN1897 -18.402  -6.301   4.966
    3    H3   GLN1897           H3       GLN1897 -19.632  -7.412   4.628
    4    HA   GLN1897           HA       GLN1897 -18.975  -7.505   2.318
    5    HB2  GLN1897           HB2      GLN1897 -17.973  -5.183   2.329
    6    HB3  GLN1897           HB3      GLN1897 -16.584  -5.860   3.164
    7    HG2  GLN1897           HG2      GLN1897 -16.232  -5.585   0.739
    8    HG3  GLN1897           HG3      GLN1897 -16.052  -7.251   1.283
    9   HE21  GLN1897          HE21      GLN1897 -16.401  -7.985  -0.856
   10   HE22  GLN1897          HE22      GLN1897 -17.986  -7.982  -1.562
   11    H    ARG1898           H        ARG1898 -17.310  -9.044   1.665
   12    HA   ARG1898           HA       ARG1898 -16.615 -10.604   4.007
   13    HB2  ARG1898           HB2      ARG1898 -17.018 -12.575   2.539
   14    HB3  ARG1898           HB3      ARG1898 -18.442 -11.604   2.849
   15    HG2  ARG1898           HG2      ARG1898 -16.863 -11.130   0.366
   16    HG3  ARG1898           HG3      ARG1898 -17.931 -12.531   0.460
   17    HD2  ARG1898           HD2      ARG1898 -18.619  -9.616   0.483
   18    HD3  ARG1898           HD3      ARG1898 -19.301 -10.919  -0.473
   19    HE   ARG1898           HE       ARG1898 -20.099 -11.634   1.967
   20   HH11  ARG1898          HH12      ARG1898 -20.181  -8.507   0.356
   21   HH12  ARG1898          HH11      ARG1898 -21.578  -7.950   1.229
   22   HH21  ARG1898          HH22      ARG1898 -21.949 -10.889   3.108
   23   HH22  ARG1898          HH21      ARG1898 -22.603  -9.317   2.746
   24    H    GLU1899           H        GLU1899 -14.945  -8.757   3.002
   25    HA   GLU1899           HA       GLU1899 -12.546 -10.209   2.783
   26    HB2  GLU1899           HB2      GLU1899 -11.852  -9.204   0.575
   27    HB3  GLU1899           HB3      GLU1899 -13.067 -10.462   0.458
   28    HG2  GLU1899           HG2      GLU1899 -14.653  -8.307   0.629
   29    HG3  GLU1899           HG3      GLU1899 -13.241  -7.591  -0.158
   30    H    LEU1900           H        LEU1900 -14.210  -7.181   2.141
   31    HA   LEU1900           HA       LEU1900 -12.052  -5.460   2.772
   32    HB2  LEU1900           HB2      LEU1900 -14.710  -5.295   1.786
   33    HB3  LEU1900           HB3      LEU1900 -14.567  -4.161   3.112
   34    HG   LEU1900           HG       LEU1900 -13.635  -2.703   1.743
   35   HD11  LEU1900          HD11      LEU1900 -11.484  -3.572   2.365
   36   HD12  LEU1900          HD12      LEU1900 -11.581  -4.798   1.098
   37   HD13  LEU1900          HD13      LEU1900 -11.474  -3.091   0.669
   38   HD21  LEU1900          HD21      LEU1900 -13.485  -3.161  -0.657
   39   HD22  LEU1900          HD22      LEU1900 -13.803  -4.864  -0.330
   40   HD23  LEU1900          HD23      LEU1900 -15.026  -3.650   0.046
   41    H    GLU1901           H        GLU1901 -13.966  -7.356   4.768
   42    HA   GLU1901           HA       GLU1901 -14.023  -5.471   6.978
   43    HB2  GLU1901           HB2      GLU1901 -15.925  -7.018   6.568
   44    HB3  GLU1901           HB3      GLU1901 -14.868  -8.374   6.921
   45    HG2  GLU1901           HG2      GLU1901 -14.599  -7.651   9.186
   46    HG3  GLU1901           HG3      GLU1901 -15.476  -6.157   8.859
   47    H    ASP1902           H        ASP1902 -12.348  -8.400   5.980
   48    HA   ASP1902           HA       ASP1902 -10.590  -8.319   8.292
   49    HB2  ASP1902           HB2      ASP1902 -11.174 -10.504   7.387
   50    HB3  ASP1902           HB3      ASP1902 -10.574 -10.042   5.799
   51    H    ALA1903           H        ALA1903 -10.584  -7.543   4.890
   52    HA   ALA1903           HA       ALA1903  -8.021  -7.110   4.164
   53    HB1  ALA1903           HB1      ALA1903  -8.786  -5.514   2.600
   54    HB2  ALA1903           HB2      ALA1903 -10.146  -6.614   2.844
   55    HB3  ALA1903           HB3      ALA1903 -10.132  -5.028   3.636
   56    H    THR1904           H        THR1904 -10.018  -4.493   5.358
   57    HA   THR1904           HA       THR1904  -7.606  -2.944   5.767
   58    HB   THR1904           HB       THR1904  -9.216  -1.029   5.793
   59    HG1  THR1904           HG1      THR1904 -11.356  -1.434   5.376
   60   HG21  THR1904          HG21      THR1904  -9.273  -2.935   3.447
   61   HG22  THR1904          HG22      THR1904  -8.107  -1.639   3.731
   62   HG23  THR1904          HG23      THR1904  -9.790  -1.254   3.369
   63    H    GLU1905           H        GLU1905  -9.544  -4.874   7.562
   64    HA   GLU1905           HA       GLU1905  -9.704  -3.534  10.035
   65    HB2  GLU1905           HB2      GLU1905 -10.714  -5.758   9.590
   66    HB3  GLU1905           HB3      GLU1905  -9.092  -6.438   9.475
   67    HG2  GLU1905           HG2      GLU1905  -9.827  -6.977  11.629
   68    HG3  GLU1905           HG3      GLU1905  -8.721  -5.625  11.834
   69    H    THR1906           H        THR1906  -7.292  -5.656   8.606
   70    HA   THR1906           HA       THR1906  -5.309  -5.174  10.579
   71    HB   THR1906           HB       THR1906  -4.499  -6.119   7.880
   72    HG1  THR1906           HG1      THR1906  -5.892  -7.737   7.830
   73   HG21  THR1906          HG21      THR1906  -4.134  -7.201  10.679
   74   HG22  THR1906          HG22      THR1906  -2.982  -6.177   9.817
   75   HG23  THR1906          HG23      THR1906  -3.333  -7.801   9.224
   76    H    ALA1907           H        ALA1907  -6.411  -3.469   7.791
   77    HA   ALA1907           HA       ALA1907  -4.171  -1.962   7.156
   78    HB1  ALA1907           HB1      ALA1907  -7.036  -1.021   7.240
   79    HB2  ALA1907           HB2      ALA1907  -5.702  -0.143   6.478
   80    HB3  ALA1907           HB3      ALA1907  -6.198  -1.725   5.853
   81    H    ASP1908           H        ASP1908  -6.480  -1.524   9.791
   82    HA   ASP1908           HA       ASP1908  -5.496   0.795  10.935
   83    HB2  ASP1908           HB2      ASP1908  -7.471  -0.175  11.849
   84    HB3  ASP1908           HB3      ASP1908  -6.645  -1.687  12.208
   85    H    ALA1909           H        ALA1909  -4.336  -2.534  11.386
   86    HA   ALA1909           HA       ALA1909  -2.310  -1.916  13.253
   87    HB1  ALA1909           HB1      ALA1909  -3.144  -4.187  12.887
   88    HB2  ALA1909           HB2      ALA1909  -2.399  -4.197  11.287
   89    HB3  ALA1909           HB3      ALA1909  -1.389  -4.097  12.730
   90    H    MET1910           H        MET1910  -1.894  -2.762   9.789
   91    HA   MET1910           HA       MET1910   0.601  -1.849   9.310
   92    HB2  MET1910           HB2      MET1910  -0.553  -2.833   7.524
   93    HB3  MET1910           HB3      MET1910  -1.876  -1.685   7.619
   94    HG2  MET1910           HG2      MET1910  -0.538   0.060   6.651
   95    HG3  MET1910           HG3      MET1910   0.920  -0.934   6.774
   96    HE1  MET1910           HE1      MET1910   0.088  -3.804   4.239
   97    HE2  MET1910           HE2      MET1910   1.314  -3.151   5.330
   98    HE3  MET1910           HE3      MET1910  -0.212  -3.757   5.975
   99    H    ASN1911           H        ASN1911  -2.177   0.211   9.929
  100    HA   ASN1911           HA       ASN1911  -0.989   2.569   8.851
  101    HB2  ASN1911           HB2      ASN1911  -3.435   2.235   9.215
  102    HB3  ASN1911           HB3      ASN1911  -3.139   2.373  10.939
  103   HD21  ASN1911          HD21      ASN1911  -3.175   4.007   7.919
  104   HD22  ASN1911          HD22      ASN1911  -3.151   5.603   8.549
  105    H    ARG1912           H        ARG1912  -1.030   1.110  12.054
  106    HA   ARG1912           HA       ARG1912   0.029   3.398  13.390
  107    HB2  ARG1912           HB2      ARG1912   0.438   0.584  14.321
  108    HB3  ARG1912           HB3      ARG1912   0.235   2.029  15.290
  109    HG2  ARG1912           HG2      ARG1912  -1.870   0.500  13.796
  110    HG3  ARG1912           HG3      ARG1912  -1.766   0.818  15.528
  111    HD2  ARG1912           HD2      ARG1912  -2.214   2.904  13.392
  112    HD3  ARG1912           HD3      ARG1912  -3.475   2.202  14.409
  113    HE   ARG1912           HE       ARG1912  -1.739   3.182  16.225
  114   HH11  ARG1912          HH12      ARG1912  -3.244   4.589  13.386
  115   HH12  ARG1912          HH11      ARG1912  -3.285   6.192  14.043
  116   HH21  ARG1912          HH22      ARG1912  -1.792   5.305  17.096
  117   HH22  ARG1912          HH21      ARG1912  -2.477   6.603  16.155
  118    H    GLU1913           H        GLU1913   1.382   0.459  12.015
  119    HA   GLU1913           HA       GLU1913   4.079   1.139  12.634
  120    HB2  GLU1913           HB2      GLU1913   4.666  -0.703  11.111
  121    HB3  GLU1913           HB3      GLU1913   3.439  -1.184  12.277
  122    HG2  GLU1913           HG2      GLU1913   1.714  -0.818  10.568
  123    HG3  GLU1913           HG3      GLU1913   2.980  -0.427   9.398
  124    H    VAL1914           H        VAL1914   1.970   1.569   9.821
  125    HA   VAL1914           HA       VAL1914   3.926   2.177   7.924
  126    HB   VAL1914           HB       VAL1914   1.383   1.701   7.607
  127   HG11  VAL1914          HG11      VAL1914   1.323   4.703   7.815
  128   HG12  VAL1914          HG12      VAL1914   0.017   3.693   7.193
  129   HG13  VAL1914          HG13      VAL1914   0.506   3.560   8.883
  130   HG21  VAL1914          HG21      VAL1914   2.772   3.756   5.913
  131   HG22  VAL1914          HG22      VAL1914   2.899   2.003   5.758
  132   HG23  VAL1914          HG23      VAL1914   1.362   2.805   5.440
  133    H    SER1915           H        SER1915   2.366   4.168  10.315
  134    HA   SER1915           HA       SER1915   3.121   6.612   9.084
  135    HB2  SER1915           HB2      SER1915   2.360   7.561  11.316
  136    HB3  SER1915           HB3      SER1915   1.193   6.645  10.357
  137    HG   SER1915           HG       SER1915   1.146   5.108  11.819
  138    H    SER1916           H        SER1916   4.451   4.505  11.589
  139    HA   SER1916           HA       SER1916   6.779   6.175  11.960
  140    HB2  SER1916           HB2      SER1916   6.041   4.596  13.711
  141    HB3  SER1916           HB3      SER1916   6.337   3.244  12.618
  142    HG   SER1916           HG       SER1916   8.401   5.077  13.209
  143    H    LEU1917           H        LEU1917   5.870   3.415  10.029
  144    HA   LEU1917           HA       LEU1917   8.299   2.571   9.021
  145    HB2  LEU1917           HB2      LEU1917   5.937   1.548   8.874
  146    HB3  LEU1917           HB3      LEU1917   5.735   2.558   7.460
  147    HG   LEU1917           HG       LEU1917   6.402   0.089   7.144
  148   HD11  LEU1917          HD11      LEU1917   7.900   0.682   5.230
  149   HD12  LEU1917          HD12      LEU1917   6.349   1.520   5.269
  150   HD13  LEU1917          HD13      LEU1917   7.814   2.357   5.779
  151   HD21  LEU1917          HD21      LEU1917   9.070   1.283   7.785
  152   HD22  LEU1917          HD22      LEU1917   8.191   0.121   8.782
  153   HD23  LEU1917          HD23      LEU1917   8.760  -0.345   7.178
  154    H    LYS1918           H        LYS1918   5.926   4.729   7.493
  155    HA   LYS1918           HA       LYS1918   7.483   5.225   5.225
  156    HB2  LYS1918           HB2      LYS1918   5.420   5.875   4.677
  157    HB3  LYS1918           HB3      LYS1918   4.952   6.039   6.362
  158    HG2  LYS1918           HG2      LYS1918   6.624   8.229   5.519
  159    HG3  LYS1918           HG3      LYS1918   5.221   8.038   4.467
  160    HD2  LYS1918           HD2      LYS1918   4.382   9.386   6.126
  161    HD3  LYS1918           HD3      LYS1918   3.885   7.811   6.702
  162    HE2  LYS1918           HE2      LYS1918   5.476   7.798   8.364
  163    HE3  LYS1918           HE3      LYS1918   6.465   9.027   7.577
  164    HZ1  LYS1918           HZ1      LYS1918   3.817   9.490   8.862
  165    HZ2  LYS1918           HZ2      LYS1918   4.744  10.669   8.076
  166    HZ3  LYS1918           HZ3      LYS1918   5.324   9.944   9.494
  167    H    ASN1919           H        ASN1919   7.135   6.880   8.299
  168    HA   ASN1919           HA       ASN1919   8.782   9.073   7.866
  169    HB2  ASN1919           HB2      ASN1919   7.346   8.763   9.859
  170    HB3  ASN1919           HB3      ASN1919   8.467   7.542  10.453
  171   HD21  ASN1919          HD21      ASN1919   9.051   8.616  12.282
  172   HD22  ASN1919          HD22      ASN1919   9.966  10.086  12.278
  173    H    LYS1920           H        LYS1920   9.745   5.736   8.738
  174    HA   LYS1920           HA       LYS1920  12.440   6.616   9.252
  175    HB2  LYS1920           HB2      LYS1920  12.840   4.009   9.233
  176    HB3  LYS1920           HB3      LYS1920  12.127   4.820  10.613
  177    HG2  LYS1920           HG2      LYS1920   9.898   4.122   9.847
  178    HG3  LYS1920           HG3      LYS1920  10.634   3.249   8.491
  179    HD2  LYS1920           HD2      LYS1920  11.761   1.762   9.964
  180    HD3  LYS1920           HD3      LYS1920  11.375   2.747  11.375
  181    HE2  LYS1920           HE2      LYS1920   9.072   2.157  11.251
  182    HE3  LYS1920           HE3      LYS1920   9.286   1.406   9.671
  183    HZ1  LYS1920           HZ1      LYS1920  10.627   0.425  12.129
  184    HZ2  LYS1920           HZ2      LYS1920  10.510  -0.356  10.630
  185    HZ3  LYS1920           HZ3      LYS1920   9.132  -0.166  11.591
  186    H    LEU1921           H        LEU1921  10.635   5.236   6.638
  187    HA   LEU1921           HA       LEU1921  12.919   4.687   5.013
  188    HB2  LEU1921           HB2      LEU1921  10.087   5.236   4.134
  189    HB3  LEU1921           HB3      LEU1921  11.340   4.440   3.202
  190    HG   LEU1921           HG       LEU1921   9.748   3.385   5.502
  191   HD11  LEU1921          HD11      LEU1921   9.301   1.603   4.024
  192   HD12  LEU1921          HD12      LEU1921   9.081   3.111   3.122
  193   HD13  LEU1921          HD13      LEU1921  10.543   2.143   2.891
  194   HD21  LEU1921          HD21      LEU1921  12.078   2.980   6.102
  195   HD22  LEU1921          HD22      LEU1921  11.255   1.481   5.671
  196   HD23  LEU1921          HD23      LEU1921  12.361   2.243   4.525
  197    H    ARG1922           H        ARG1922  10.936   7.386   5.710
  198    HA   ARG1922           HA       ARG1922  12.041   9.010   3.564
  199    HB2  ARG1922           HB2      ARG1922   9.610   8.915   4.104
  200    HB3  ARG1922           HB3      ARG1922   9.961   9.609   5.673
  201    HG2  ARG1922           HG2      ARG1922   9.047  11.067   3.804
  202    HG3  ARG1922           HG3      ARG1922  10.361  11.696   4.803
  203    HD2  ARG1922           HD2      ARG1922  11.947  11.057   3.028
  204    HD3  ARG1922           HD3      ARG1922  10.591  10.485   2.047
  205    HE   ARG1922           HE       ARG1922   9.794  12.957   2.471
  206   HH11  ARG1922          HH12      ARG1922  13.029  11.814   1.739
  207   HH12  ARG1922          HH11      ARG1922  13.483  13.266   0.893
  208   HH21  ARG1922          HH22      ARG1922  10.409  14.889   1.454
  209   HH22  ARG1922          HH21      ARG1922  11.999  15.026   0.760
  210    H    ARG1923           H        ARG1923  13.058   8.044   6.462
  211    HA   ARG1923           HA       ARG1923  13.609  10.377   7.935
  212    HB2  ARG1923           HB2      ARG1923  13.628   7.873   8.623
  213    HB3  ARG1923           HB3      ARG1923  15.292   7.892   8.069
  214    HG2  ARG1923           HG2      ARG1923  14.282   9.837  10.115
  215    HG3  ARG1923           HG3      ARG1923  14.857   8.230  10.552
  216    HD2  ARG1923           HD2      ARG1923  17.009   8.762   9.426
  217    HD3  ARG1923           HD3      ARG1923  16.419  10.404   9.167
  218    HE   ARG1923           HE       ARG1923  16.132  10.157  11.810
  219   HH11  ARG1923          HH12      ARG1923  18.806   9.203   9.761
  220   HH12  ARG1923          HH11      ARG1923  20.019   9.622  10.934
  221   HH21  ARG1923          HH22      ARG1923  17.737  10.650  13.382
  222   HH22  ARG1923          HH21      ARG1923  19.414  10.423  12.983
  223    H    GLY1924           H        GLY1924  15.679   8.469   5.727
  224    HA2  GLY1924           HA2      GLY1924  16.886  10.092   4.154
  225    HA3  GLY1924           HA3      GLY1924  17.515  10.777   5.649
  226    H    ASP1925           H        ASP1925  17.335   7.799   6.566
  227    HA   ASP1925           HA       ASP1925  20.036   7.087   5.920
  228    HB2  ASP1925           HB2      ASP1925  17.838   5.572   7.353
  229    HB3  ASP1925           HB3      ASP1925  19.501   5.013   7.213
  230    H    LEU1926           H        LEU1926  16.922   6.513   4.629
  231    HA   LEU1926           HA       LEU1926  17.370   4.013   3.392
  232    HB2  LEU1926           HB2      LEU1926  15.339   6.166   3.162
  233    HB3  LEU1926           HB3      LEU1926  15.431   4.984   1.874
  234    HG   LEU1926           HG       LEU1926  14.237   4.758   4.524
  235   HD11  LEU1926          HD11      LEU1926  14.166   3.099   1.999
  236   HD12  LEU1926          HD12      LEU1926  13.062   2.945   3.366
  237   HD13  LEU1926          HD13      LEU1926  13.079   4.429   2.412
  238   HD21  LEU1926          HD21      LEU1926  14.910   2.443   4.932
  239   HD22  LEU1926          HD22      LEU1926  16.070   2.531   3.605
  240   HD23  LEU1926          HD23      LEU1926  16.296   3.528   5.042
  241    HA   PRO1927           HA       PRO1927  19.309   5.404  -0.405
  242    HB2  PRO1927           HB2      PRO1927  19.337   3.052  -1.674
  243    HB3  PRO1927           HB3      PRO1927  20.383   3.352  -0.285
  244    HG2  PRO1927           HG2      PRO1927  17.862   1.778  -0.458
  245    HG3  PRO1927           HG3      PRO1927  19.307   1.482   0.523
  246    HD2  PRO1927           HD2      PRO1927  16.927   2.672   1.405
  247    HD3  PRO1927           HD3      PRO1927  18.486   2.704   2.250
  248    H    PHE1928           H        PHE1928  16.144   4.688   0.121
  249    HA   PHE1928           HA       PHE1928  15.404   5.175  -2.658
  250    HB2  PHE1928           HB2      PHE1928  14.394   3.189  -2.957
  251    HB3  PHE1928           HB3      PHE1928  15.266   2.662  -1.549
  252    HD1  PHE1928           HD2      PHE1928  12.184   4.526  -2.289
  253    HD2  PHE1928           HD1      PHE1928  14.042   1.466  -0.034
  254    HE1  PHE1928           HE2      PHE1928  10.043   4.051  -1.161
  255    HE2  PHE1928           HE1      PHE1928  11.931   0.991   1.096
  256    HZ   PHE1928           HZ       PHE1928   9.959   2.067   0.457
  257    H    VAL1929           H        VAL1929  13.529   6.283  -2.948
  258    HA   VAL1929           HA       VAL1929  11.801   7.090  -0.822
  259    HB   VAL1929           HB       VAL1929  12.432   9.567  -1.176
  260   HG11  VAL1929          HG11      VAL1929  14.024   9.492   0.647
  261   HG12  VAL1929          HG12      VAL1929  12.717   8.333   0.914
  262   HG13  VAL1929          HG13      VAL1929  14.289   7.771   0.352
  263   HG21  VAL1929          HG21      VAL1929  14.767   9.951  -1.745
  264   HG22  VAL1929          HG22      VAL1929  15.001   8.210  -1.960
  265   HG23  VAL1929          HG23      VAL1929  13.933   9.094  -3.050
  266    H    VAL1930           H        VAL1930  10.129   8.522  -1.567
  267    HA   VAL1930           HA       VAL1930   9.511   8.243  -4.323
  268    HB   VAL1930           HB       VAL1930   8.259  10.161  -2.354
  269   HG11  VAL1930          HG11      VAL1930   7.272   9.061  -4.983
  270   HG12  VAL1930          HG12      VAL1930   6.339  10.077  -3.883
  271   HG13  VAL1930          HG13      VAL1930   7.782  10.720  -4.668
  272   HG21  VAL1930          HG21      VAL1930   6.512   8.444  -2.120
  273   HG22  VAL1930          HG22      VAL1930   7.504   7.340  -3.075
  274   HG23  VAL1930          HG23      VAL1930   8.083   7.912  -1.508
  275    HA   PRO1931           HA       PRO1931  11.784  11.810  -5.878
  276    HB2  PRO1931           HB2      PRO1931  10.465  11.760  -8.302
  277    HB3  PRO1931           HB3      PRO1931  11.905  10.807  -7.923
  278    HG2  PRO1931           HG2      PRO1931   9.030   9.989  -7.920
  279    HG3  PRO1931           HG3      PRO1931  10.461   9.078  -8.445
  280    HD2  PRO1931           HD2      PRO1931   9.249   8.625  -6.078
  281    HD3  PRO1931           HD3      PRO1931  11.008   8.454  -6.278
  282    H    ARG1932           H        ARG1932  11.043  13.894  -6.977
  283    HA   ARG1932           HA       ARG1932   9.170  15.204  -5.393
  284    HB2  ARG1932           HB2      ARG1932  10.963  16.244  -6.850
  285    HB3  ARG1932           HB3      ARG1932   9.866  16.027  -8.210
  286    HG2  ARG1932           HG2      ARG1932   9.725  18.287  -7.352
  287    HG3  ARG1932           HG3      ARG1932   8.204  17.430  -7.081
  288    HD2  ARG1932           HD2      ARG1932   8.933  16.944  -4.773
  289    HD3  ARG1932           HD3      ARG1932  10.392  17.887  -5.059
  290    HE   ARG1932           HE       ARG1932   7.676  19.041  -5.160
  291   HH11  ARG1932          HH12      ARG1932  11.068  19.209  -4.324
  292   HH12  ARG1932          HH11      ARG1932  10.933  20.737  -3.499
  293   HH21  ARG1932          HH22      ARG1932   7.477  21.049  -4.074
  294   HH22  ARG1932          HH21      ARG1932   8.884  21.768  -3.338
  295    H    ARG1933           H        ARG1933   8.765  13.468  -8.355
  296    HA   ARG1933           HA       ARG1933   5.841  13.613  -8.024
  297    HB2  ARG1933           HB2      ARG1933   7.291  13.407 -10.679
  298    HB3  ARG1933           HB3      ARG1933   5.561  13.570 -10.432
  299    HG2  ARG1933           HG2      ARG1933   5.812  15.830  -9.694
  300    HG3  ARG1933           HG3      ARG1933   7.575  15.685  -9.711
  301    HD2  ARG1933           HD2      ARG1933   6.780  16.852 -11.699
  302    HD3  ARG1933           HD3      ARG1933   7.522  15.308 -12.124
  303    HE   ARG1933           HE       ARG1933   4.594  15.532 -11.864
  304   HH11  ARG1933          HH12      ARG1933   7.435  14.921 -13.839
  305   HH12  ARG1933          HH11      ARG1933   6.528  14.227 -15.153
  306   HH21  ARG1933          HH22      ARG1933   3.404  14.664 -13.617
  307   HH22  ARG1933          HH21      ARG1933   4.240  14.096 -15.027
  308    H    MET1934           H        MET1934   5.648  11.700 -10.318
  309    HA   MET1934           HA       MET1934   6.856   9.343  -9.108
  310    HB2  MET1934           HB2      MET1934   4.951   9.703 -11.423
  311    HB3  MET1934           HB3      MET1934   5.667   8.147 -11.008
  312    HG2  MET1934           HG2      MET1934   3.971   9.839  -9.184
  313    HG3  MET1934           HG3      MET1934   3.435   8.401 -10.054
  314    HE1  MET1934           HE1      MET1934   3.912   7.712  -6.046
  315    HE2  MET1934           HE2      MET1934   3.981   9.379  -6.635
  316    HE3  MET1934           HE3      MET1934   2.738   8.280  -7.235
  317    H    ALA1935           H        ALA1935   7.717  11.779 -11.022
  318    HA   ALA1935           HA       ALA1935   9.520  12.291 -12.256
  319    HB1  ALA1935           HB1      ALA1935  11.544  11.001 -11.907
  320    HB2  ALA1935           HB2      ALA1935  10.691  11.261 -10.384
  321    HB3  ALA1935           HB3      ALA1935  10.605   9.692 -11.188
  322    H    MET   1           H1       MET   1   1.202  -3.199 -21.623
  323    HA   MET   1           HA       MET   1   0.096  -3.849 -18.957
  324    HB2  MET   1           HB2      MET   1   2.646  -4.696 -20.324
  325    HB3  MET   1           HB3      MET   1   2.464  -4.724 -18.576
  326    HG2  MET   1           HG2      MET   1   0.581  -6.273 -18.811
  327    HG3  MET   1           HG3      MET   1   0.806  -6.264 -20.560
  328    HE1  MET   1           HE1      MET   1   2.067  -9.829 -19.407
  329    HE2  MET   1           HE2      MET   1   0.766  -8.895 -18.668
  330    HE3  MET   1           HE3      MET   1   0.917  -8.962 -20.423
  331    H    ALA   2           H        ALA   2   1.005  -2.746 -17.253
  332    HA   ALA   2           HA       ALA   2   2.819  -0.514 -17.927
  333    HB1  ALA   2           HB1      ALA   2   1.928   0.634 -15.968
  334    HB2  ALA   2           HB2      ALA   2   0.625   0.213 -17.079
  335    HB3  ALA   2           HB3      ALA   2   0.884  -0.744 -15.620
  336    H    CYS   3           H        CYS   3   4.210   0.076 -15.897
  337    HA   CYS   3           HA       CYS   3   5.604  -2.198 -14.938
  338    HB2  CYS   3           HB2      CYS   3   5.626   0.620 -13.835
  339    HB3  CYS   3           HB3      CYS   3   6.848  -0.619 -13.570
  340    HG   CYS   3           HG       CYS   3   7.349   1.632 -15.519
  341    HA   PRO   4           HA       PRO   4   2.136  -3.341 -12.388
  342    HB2  PRO   4           HB2      PRO   4   4.245  -5.109 -11.229
  343    HB3  PRO   4           HB3      PRO   4   2.622  -5.525 -11.806
  344    HG2  PRO   4           HG2      PRO   4   4.702  -6.137 -13.299
  345    HG3  PRO   4           HG3      PRO   4   3.268  -5.419 -14.059
  346    HD2  PRO   4           HD2      PRO   4   5.872  -4.131 -13.334
  347    HD3  PRO   4           HD3      PRO   4   4.887  -3.932 -14.800
  348    H    LEU   5           H        LEU   5   5.215  -3.588 -10.578
  349    HA   LEU   5           HA       LEU   5   3.940  -2.880  -8.144
  350    HB2  LEU   5           HB2      LEU   5   6.275  -4.115  -8.812
  351    HB3  LEU   5           HB3      LEU   5   6.861  -2.545  -8.297
  352    HG   LEU   5           HG       LEU   5   6.883  -4.227  -6.481
  353   HD11  LEU   5          HD11      LEU   5   4.959  -1.959  -6.041
  354   HD12  LEU   5          HD12      LEU   5   5.794  -2.865  -4.780
  355   HD13  LEU   5          HD13      LEU   5   6.716  -1.878  -5.913
  356   HD21  LEU   5          HD21      LEU   5   3.890  -4.164  -6.790
  357   HD22  LEU   5          HD22      LEU   5   4.945  -5.529  -7.151
  358   HD23  LEU   5          HD23      LEU   5   4.777  -4.960  -5.490
  359    H    GLU   6           H        GLU   6   5.599  -1.050 -10.619
  360    HA   GLU   6           HA       GLU   6   6.111   1.229  -9.042
  361    HB2  GLU   6           HB2      GLU   6   7.312   0.906 -11.127
  362    HB3  GLU   6           HB3      GLU   6   5.808   1.005 -12.034
  363    HG2  GLU   6           HG2      GLU   6   5.547   3.309 -11.504
  364    HG3  GLU   6           HG3      GLU   6   6.872   3.254 -10.345
  365    H    LYS   7           H        LYS   7   3.467   0.398 -11.254
  366    HA   LYS   7           HA       LYS   7   2.147   2.879 -10.970
  367    HB2  LYS   7           HB2      LYS   7   1.003   0.203 -11.791
  368    HB3  LYS   7           HB3      LYS   7   0.171   1.743 -11.942
  369    HG2  LYS   7           HG2      LYS   7   2.582   0.765 -13.435
  370    HG3  LYS   7           HG3      LYS   7   1.021   1.275 -14.074
  371    HD2  LYS   7           HD2      LYS   7   3.065   3.064 -12.755
  372    HD3  LYS   7           HD3      LYS   7   2.755   2.952 -14.487
  373    HE2  LYS   7           HE2      LYS   7   0.689   3.768 -12.454
  374    HE3  LYS   7           HE3      LYS   7   1.693   4.909 -13.343
  375    HZ1  LYS   7           HZ1      LYS   7  -0.526   4.555 -14.320
  376    HZ2  LYS   7           HZ2      LYS   7  -0.123   2.943 -14.627
  377    HZ3  LYS   7           HZ3      LYS   7   0.731   4.193 -15.390
  378    H    ALA   8           H        ALA   8   2.206   0.009  -9.030
  379    HA   ALA   8           HA       ALA   8  -0.125   0.194  -7.570
  380    HB1  ALA   8           HB1      ALA   8   1.505  -1.614  -7.314
  381    HB2  ALA   8           HB2      ALA   8   2.603  -0.507  -6.491
  382    HB3  ALA   8           HB3      ALA   8   1.051  -0.918  -5.758
  383    H    LEU   9           H        LEU   9   2.963   1.852  -6.833
  384    HA   LEU   9           HA       LEU   9   1.760   3.354  -4.700
  385    HB2  LEU   9           HB2      LEU   9   4.360   3.955  -6.113
  386    HB3  LEU   9           HB3      LEU   9   3.847   4.564  -4.555
  387    HG   LEU   9           HG       LEU   9   5.369   2.935  -3.972
  388   HD11  LEU   9          HD11      LEU   9   3.290   2.595  -2.781
  389   HD12  LEU   9          HD12      LEU   9   2.733   1.492  -4.040
  390   HD13  LEU   9          HD13      LEU   9   4.122   1.061  -3.043
  391   HD21  LEU   9          HD21      LEU   9   5.673   2.041  -6.249
  392   HD22  LEU   9          HD22      LEU   9   5.620   0.782  -5.011
  393   HD23  LEU   9          HD23      LEU   9   4.213   1.071  -6.031
  394    H    ASP  10           H        ASP  10   2.585   3.991  -8.055
  395    HA   ASP  10           HA       ASP  10   2.137   6.738  -8.155
  396    HB2  ASP  10           HB2      ASP  10   3.173   5.704 -10.024
  397    HB3  ASP  10           HB3      ASP  10   1.851   4.561 -10.224
  398    H    VAL  11           H        VAL  11  -0.157   4.076  -8.666
  399    HA   VAL  11           HA       VAL  11  -2.281   5.845  -9.369
  400    HB   VAL  11           HB       VAL  11  -3.713   3.932  -9.440
  401   HG11  VAL  11          HG11      VAL  11  -0.971   3.199 -10.447
  402   HG12  VAL  11          HG12      VAL  11  -2.506   2.551 -11.027
  403   HG13  VAL  11          HG13      VAL  11  -2.121   4.257 -11.268
  404   HG21  VAL  11          HG21      VAL  11  -3.050   2.841  -7.371
  405   HG22  VAL  11          HG22      VAL  11  -2.974   1.706  -8.720
  406   HG23  VAL  11          HG23      VAL  11  -1.491   2.412  -8.077
  407    H    MET  12           H        MET  12  -1.089   4.586  -6.354
  408    HA   MET  12           HA       MET  12  -3.422   4.758  -4.820
  409    HB2  MET  12           HB2      MET  12  -0.552   5.218  -4.023
  410    HB3  MET  12           HB3      MET  12  -1.881   5.236  -2.874
  411    HG2  MET  12           HG2      MET  12  -2.349   2.871  -4.002
  412    HG3  MET  12           HG3      MET  12  -0.610   2.974  -4.279
  413    HE1  MET  12           HE1      MET  12  -1.379   0.681  -2.934
  414    HE2  MET  12           HE2      MET  12   0.302   1.017  -2.520
  415    HE3  MET  12           HE3      MET  12  -0.849   0.582  -1.250
  416    H    VAL  13           H        VAL  13  -1.036   7.240  -5.655
  417    HA   VAL  13           HA       VAL  13  -2.640   9.236  -4.272
  418    HB   VAL  13           HB       VAL  13  -0.876  10.840  -4.856
  419   HG11  VAL  13          HG11      VAL  13   0.132   8.297  -3.597
  420   HG12  VAL  13          HG12      VAL  13   0.915   9.878  -3.476
  421   HG13  VAL  13          HG13      VAL  13  -0.688   9.627  -2.776
  422   HG21  VAL  13          HG21      VAL  13   0.501   8.498  -6.137
  423   HG22  VAL  13          HG22      VAL  13  -0.151   9.914  -6.969
  424   HG23  VAL  13          HG23      VAL  13   1.206  10.093  -5.854
  425    H    SER  14           H        SER  14  -2.260   7.995  -7.445
  426    HA   SER  14           HA       SER  14  -3.172  10.368  -8.797
  427    HB2  SER  14           HB2      SER  14  -2.870   7.520  -9.777
  428    HB3  SER  14           HB3      SER  14  -3.269   8.899 -10.801
  429    HG   SER  14           HG       SER  14  -0.860   8.280  -9.482
  430    H    THR  15           H        THR  15  -4.604   7.125  -8.366
  431    HA   THR  15           HA       THR  15  -7.206   7.874  -9.146
  432    HB   THR  15           HB       THR  15  -6.459   5.592  -7.307
  433    HG1  THR  15           HG1      THR  15  -6.643   4.601  -9.666
  434   HG21  THR  15          HG21      THR  15  -8.418   4.497  -8.242
  435   HG22  THR  15          HG22      THR  15  -8.722   5.888  -9.287
  436   HG23  THR  15          HG23      THR  15  -8.877   6.049  -7.538
  437    H    PHE  16           H        PHE  16  -5.430   8.109  -6.218
  438    HA   PHE  16           HA       PHE  16  -7.194   8.398  -4.173
  439    HB2  PHE  16           HB2      PHE  16  -4.676   8.654  -4.180
  440    HB3  PHE  16           HB3      PHE  16  -4.915  10.303  -4.724
  441    HD1  PHE  16           HD1      PHE  16  -6.601   8.269  -2.095
  442    HD2  PHE  16           HD2      PHE  16  -4.300  11.715  -3.050
  443    HE1  PHE  16           HE1      PHE  16  -6.704   8.984   0.255
  444    HE2  PHE  16           HE2      PHE  16  -4.405  12.441  -0.704
  445    HZ   PHE  16           HZ       PHE  16  -5.608  11.074   0.952
  446    H    HIS  17           H        HIS  17  -5.993  11.266  -5.922
  447    HA   HIS  17           HA       HIS  17  -8.096  12.902  -4.902
  448    HB2  HIS  17           HB2      HIS  17  -7.114  14.701  -6.223
  449    HB3  HIS  17           HB3      HIS  17  -5.856  13.814  -5.375
  450    HD1  HIS  17           HD1      HIS  17  -7.154  14.568  -8.808
  451    HD2  HIS  17           HD2      HIS  17  -4.032  12.457  -7.029
  452    HE1  HIS  17           HE1      HIS  17  -5.564  14.001 -10.669
  453    HE2  HIS  17           HE2      HIS  17  -3.771  12.590  -9.604
  454    H    LYS  18           H        LYS  18  -7.924  10.770  -7.447
  455    HA   LYS  18           HA       LYS  18  -9.441  12.047  -9.448
  456    HB2  LYS  18           HB2      LYS  18  -8.036  10.120  -9.888
  457    HB3  LYS  18           HB3      LYS  18  -8.998   9.129  -8.808
  458    HG2  LYS  18           HG2      LYS  18 -10.903   9.328 -10.331
  459    HG3  LYS  18           HG3      LYS  18  -9.916  10.312 -11.420
  460    HD2  LYS  18           HD2      LYS  18  -8.371   8.480 -11.734
  461    HD3  LYS  18           HD3      LYS  18  -9.244   7.502 -10.556
  462    HE2  LYS  18           HE2      LYS  18 -11.209   7.511 -12.006
  463    HE3  LYS  18           HE3      LYS  18 -10.335   8.493 -13.185
  464    HZ1  LYS  18           HZ1      LYS  18 -10.307   6.159 -13.792
  465    HZ2  LYS  18           HZ2      LYS  18  -9.583   5.748 -12.310
  466    HZ3  LYS  18           HZ3      LYS  18  -8.741   6.693 -13.435
  467    H    TYR  19           H        TYR  19 -10.341  10.247  -6.564
  468    HA   TYR  19           HA       TYR  19 -13.172  10.666  -7.286
  469    HB2  TYR  19           HB2      TYR  19 -11.916   8.386  -5.759
  470    HB3  TYR  19           HB3      TYR  19 -13.652   8.685  -5.794
  471    HD1  TYR  19           HD1      TYR  19 -14.879   8.531  -7.957
  472    HD2  TYR  19           HD2      TYR  19 -10.814   7.335  -7.585
  473    HE1  TYR  19           HE1      TYR  19 -15.069   7.272 -10.057
  474    HE2  TYR  19           HE2      TYR  19 -10.985   6.075  -9.689
  475    HH   TYR  19           HH       TYR  19 -13.543   6.476 -11.855
  476    H    SER  20           H        SER  20 -10.744  11.071  -4.822
  477    HA   SER  20           HA       SER  20 -12.514  11.561  -2.657
  478    HB2  SER  20           HB2      SER  20 -10.482  12.640  -1.611
  479    HB3  SER  20           HB3      SER  20 -10.216  10.996  -2.214
  480    HG   SER  20           HG       SER  20  -8.545  12.375  -2.887
  481    H    GLY  21           H        GLY  21 -10.874  13.668  -4.977
  482    HA2  GLY  21           HA2      GLY  21 -11.913  16.077  -3.802
  483    HA3  GLY  21           HA3      GLY  21 -11.002  15.954  -5.298
  484    H    LYS  22           H        LYS  22 -13.941  14.160  -4.621
  485    HA   LYS  22           HA       LYS  22 -15.268  15.679  -6.754
  486    HB2  LYS  22           HB2      LYS  22 -15.700  12.884  -5.705
  487    HB3  LYS  22           HB3      LYS  22 -16.881  13.692  -6.733
  488    HG2  LYS  22           HG2      LYS  22 -15.054  13.977  -8.427
  489    HG3  LYS  22           HG3      LYS  22 -14.050  12.938  -7.413
  490    HD2  LYS  22           HD2      LYS  22 -15.090  11.621  -9.163
  491    HD3  LYS  22           HD3      LYS  22 -15.756  11.162  -7.593
  492    HE2  LYS  22           HE2      LYS  22 -17.703  12.585  -8.006
  493    HE3  LYS  22           HE3      LYS  22 -17.037  13.043  -9.572
  494    HZ1  LYS  22           HZ1      LYS  22 -17.906  10.323  -8.739
  495    HZ2  LYS  22           HZ2      LYS  22 -17.149  10.682 -10.215
  496    HZ3  LYS  22           HZ3      LYS  22 -18.672  11.340  -9.863
  497    H    GLU  23           H        GLU  23 -16.143  14.018  -3.699
  498    HA   GLU  23           HA       GLU  23 -18.050  16.222  -3.216
  499    HB2  GLU  23           HB2      GLU  23 -18.059  13.370  -2.239
  500    HB3  GLU  23           HB3      GLU  23 -19.127  14.612  -1.600
  501    HG2  GLU  23           HG2      GLU  23 -20.049  14.937  -3.861
  502    HG3  GLU  23           HG3      GLU  23 -19.028  13.619  -4.438
  503    H    GLY  24           H        GLY  24 -15.035  15.221  -2.321
  504    HA2  GLY  24           HA2      GLY  24 -15.245  16.715   0.193
  505    HA3  GLY  24           HA3      GLY  24 -14.567  15.095   0.247
  506    H    ASP  25           H        ASP  25 -12.655  16.116   1.095
  507    HA   ASP  25           HA       ASP  25 -11.076  17.855  -0.546
  508    HB2  ASP  25           HB2      ASP  25 -10.314  16.128   1.822
  509    HB3  ASP  25           HB3      ASP  25  -9.239  17.289   1.052
  510    H    LYS  26           H        LYS  26  -9.058  17.274  -1.589
  511    HA   LYS  26           HA       LYS  26  -9.407  14.900  -3.144
  512    HB2  LYS  26           HB2      LYS  26  -7.428  15.596  -4.337
  513    HB3  LYS  26           HB3      LYS  26  -8.487  16.977  -4.085
  514    HG2  LYS  26           HG2      LYS  26  -7.067  17.584  -2.112
  515    HG3  LYS  26           HG3      LYS  26  -5.944  16.326  -2.626
  516    HD2  LYS  26           HD2      LYS  26  -6.821  18.655  -4.325
  517    HD3  LYS  26           HD3      LYS  26  -5.311  18.583  -3.418
  518    HE2  LYS  26           HE2      LYS  26  -4.592  16.665  -4.720
  519    HE3  LYS  26           HE3      LYS  26  -6.127  16.649  -5.586
  520    HZ1  LYS  26           HZ1      LYS  26  -5.600  18.835  -6.478
  521    HZ2  LYS  26           HZ2      LYS  26  -4.403  17.703  -6.888
  522    HZ3  LYS  26           HZ3      LYS  26  -4.115  18.829  -5.654
  523    H    PHE  27           H        PHE  27  -8.089  15.391  -0.148
  524    HA   PHE  27           HA       PHE  27  -6.536  12.908  -0.383
  525    HB2  PHE  27           HB2      PHE  27  -5.443  13.705   1.792
  526    HB3  PHE  27           HB3      PHE  27  -4.987  14.537   0.311
  527    HD1  PHE  27           HD2      PHE  27  -7.329  14.782   3.194
  528    HD2  PHE  27           HD1      PHE  27  -5.094  16.831   0.193
  529    HE1  PHE  27           HE2      PHE  27  -7.939  16.940   4.217
  530    HE2  PHE  27           HE1      PHE  27  -5.713  18.991   1.212
  531    HZ   PHE  27           HZ       PHE  27  -7.133  19.045   3.224
  532    H    LYS  28           H        LYS  28  -9.455  13.828   0.311
  533    HA   LYS  28           HA       LYS  28  -9.753  12.008   2.597
  534    HB2  LYS  28           HB2      LYS  28 -10.452  14.707   2.432
  535    HB3  LYS  28           HB3      LYS  28 -11.965  13.851   2.177
  536    HG2  LYS  28           HG2      LYS  28 -11.700  14.361   4.504
  537    HG3  LYS  28           HG3      LYS  28 -11.574  12.613   4.268
  538    HD2  LYS  28           HD2      LYS  28  -9.305  12.591   4.645
  539    HD3  LYS  28           HD3      LYS  28  -9.116  14.294   4.216
  540    HE2  LYS  28           HE2      LYS  28 -10.311  13.131   6.719
  541    HE3  LYS  28           HE3      LYS  28  -8.829  14.071   6.575
  542    HZ1  LYS  28           HZ1      LYS  28 -10.238  15.958   5.825
  543    HZ2  LYS  28           HZ2      LYS  28 -10.532  15.490   7.418
  544    HZ3  LYS  28           HZ3      LYS  28 -11.617  15.041   6.197
  545    H    LEU  29           H        LEU  29 -10.669  10.187   1.957
  546    HA   LEU  29           HA       LEU  29 -12.798  10.377  -0.065
  547    HB2  LEU  29           HB2      LEU  29 -11.044   8.057   0.704
  548    HB3  LEU  29           HB3      LEU  29 -12.532   7.840  -0.196
  549    HG   LEU  29           HG       LEU  29 -11.388   9.663  -1.771
  550   HD11  LEU  29          HD11      LEU  29  -9.071   8.205  -0.518
  551   HD12  LEU  29          HD12      LEU  29  -8.986   9.211  -1.962
  552   HD13  LEU  29          HD13      LEU  29  -9.404   9.933  -0.409
  553   HD21  LEU  29          HD21      LEU  29 -10.603   7.813  -3.164
  554   HD22  LEU  29          HD22      LEU  29 -10.759   6.718  -1.791
  555   HD23  LEU  29          HD23      LEU  29 -12.193   7.483  -2.474
  556    H    ASN  30           H        ASN  30 -14.630  10.725   1.006
  557    HA   ASN  30           HA       ASN  30 -15.262   9.278   3.417
  558    HB2  ASN  30           HB2      ASN  30 -17.333  10.452   3.442
  559    HB3  ASN  30           HB3      ASN  30 -16.144  11.611   2.863
  560   HD21  ASN  30          HD21      ASN  30 -16.291  12.381   0.784
  561   HD22  ASN  30          HD22      ASN  30 -17.628  12.046  -0.262
  562    H    LYS  31           H        LYS  31 -17.710   8.322   3.214
  563    HA   LYS  31           HA       LYS  31 -17.577   5.837   2.147
  564    HB2  LYS  31           HB2      LYS  31 -20.053   7.554   2.320
  565    HB3  LYS  31           HB3      LYS  31 -20.049   5.808   2.119
  566    HG2  LYS  31           HG2      LYS  31 -18.977   5.544   4.287
  567    HG3  LYS  31           HG3      LYS  31 -18.937   7.301   4.484
  568    HD2  LYS  31           HD2      LYS  31 -21.351   7.400   4.445
  569    HD3  LYS  31           HD3      LYS  31 -21.446   5.670   4.114
  570    HE2  LYS  31           HE2      LYS  31 -20.418   5.203   6.280
  571    HE3  LYS  31           HE3      LYS  31 -20.315   6.933   6.607
  572    HZ1  LYS  31           HZ1      LYS  31 -22.242   5.828   7.658
  573    HZ2  LYS  31           HZ2      LYS  31 -22.857   5.484   6.110
  574    HZ3  LYS  31           HZ3      LYS  31 -22.681   7.094   6.613
  575    H    SER  32           H        SER  32 -18.951   8.657   0.455
  576    HA   SER  32           HA       SER  32 -19.807   7.203  -1.808
  577    HB2  SER  32           HB2      SER  32 -20.719   9.412  -1.130
  578    HB3  SER  32           HB3      SER  32 -19.195  10.161  -1.604
  579    HG   SER  32           HG       SER  32 -20.412  10.382  -3.375
  580    H    GLU  33           H        GLU  33 -16.817   8.949  -1.094
  581    HA   GLU  33           HA       GLU  33 -15.866   8.966  -3.780
  582    HB2  GLU  33           HB2      GLU  33 -14.046   9.076  -1.387
  583    HB3  GLU  33           HB3      GLU  33 -13.876   9.889  -2.936
  584    HG2  GLU  33           HG2      GLU  33 -15.739  10.590  -0.687
  585    HG3  GLU  33           HG3      GLU  33 -14.371  11.519  -1.287
  586    H    LEU  34           H        LEU  34 -15.245   7.000  -0.921
  587    HA   LEU  34           HA       LEU  34 -13.368   5.278  -2.118
  588    HB2  LEU  34           HB2      LEU  34 -15.068   5.170   0.325
  589    HB3  LEU  34           HB3      LEU  34 -14.261   3.709  -0.212
  590    HG   LEU  34           HG       LEU  34 -12.826   6.293   0.356
  591   HD11  LEU  34          HD11      LEU  34 -12.084   5.159   2.416
  592   HD12  LEU  34          HD12      LEU  34 -13.816   5.499   2.390
  593   HD13  LEU  34          HD13      LEU  34 -13.233   3.862   2.084
  594   HD21  LEU  34          HD21      LEU  34 -11.666   4.861  -1.192
  595   HD22  LEU  34          HD22      LEU  34 -10.852   4.812   0.373
  596   HD23  LEU  34          HD23      LEU  34 -11.886   3.472  -0.127
  597    H    LYS  35           H        LYS  35 -16.899   5.138  -1.860
  598    HA   LYS  35           HA       LYS  35 -17.134   2.505  -2.802
  599    HB2  LYS  35           HB2      LYS  35 -18.981   3.889  -1.742
  600    HB3  LYS  35           HB3      LYS  35 -19.180   4.662  -3.312
  601    HG2  LYS  35           HG2      LYS  35 -19.915   2.702  -4.327
  602    HG3  LYS  35           HG3      LYS  35 -19.253   1.681  -3.053
  603    HD2  LYS  35           HD2      LYS  35 -21.573   1.665  -2.722
  604    HD3  LYS  35           HD3      LYS  35 -20.949   2.779  -1.508
  605    HE2  LYS  35           HE2      LYS  35 -21.520   4.660  -2.989
  606    HE3  LYS  35           HE3      LYS  35 -22.182   3.502  -4.147
  607    HZ1  LYS  35           HZ1      LYS  35 -23.162   3.800  -1.357
  608    HZ2  LYS  35           HZ2      LYS  35 -23.858   2.869  -2.597
  609    HZ3  LYS  35           HZ3      LYS  35 -23.869   4.562  -2.702
  610    H    GLU  36           H        GLU  36 -17.303   5.593  -4.597
  611    HA   GLU  36           HA       GLU  36 -17.475   4.418  -7.137
  612    HB2  GLU  36           HB2      GLU  36 -16.848   7.073  -6.101
  613    HB3  GLU  36           HB3      GLU  36 -16.005   6.695  -7.599
  614    HG2  GLU  36           HG2      GLU  36 -18.221   6.006  -8.538
  615    HG3  GLU  36           HG3      GLU  36 -18.965   6.718  -7.106
  616    H    LEU  37           H        LEU  37 -14.657   5.276  -5.192
  617    HA   LEU  37           HA       LEU  37 -12.585   4.653  -6.905
  618    HB2  LEU  37           HB2      LEU  37 -12.489   5.496  -4.509
  619    HB3  LEU  37           HB3      LEU  37 -12.691   3.827  -4.011
  620    HG   LEU  37           HG       LEU  37 -10.588   3.465  -5.571
  621   HD11  LEU  37          HD11      LEU  37 -10.530   5.791  -6.335
  622   HD12  LEU  37          HD12      LEU  37 -10.290   6.325  -4.671
  623   HD13  LEU  37          HD13      LEU  37  -9.057   5.346  -5.470
  624   HD21  LEU  37          HD21      LEU  37 -10.709   2.923  -3.206
  625   HD22  LEU  37          HD22      LEU  37  -9.178   3.711  -3.588
  626   HD23  LEU  37          HD23      LEU  37 -10.462   4.619  -2.790
  627    H    LEU  38           H        LEU  38 -14.117   2.424  -4.604
  628    HA   LEU  38           HA       LEU  38 -12.742   0.162  -5.609
  629    HB2  LEU  38           HB2      LEU  38 -15.032   0.522  -3.708
  630    HB3  LEU  38           HB3      LEU  38 -14.512  -1.078  -4.206
  631    HG   LEU  38           HG       LEU  38 -12.179   0.280  -3.394
  632   HD11  LEU  38          HD11      LEU  38 -13.522   1.916  -2.234
  633   HD12  LEU  38          HD12      LEU  38 -14.443   0.637  -1.439
  634   HD13  LEU  38          HD13      LEU  38 -12.733   0.853  -1.067
  635   HD21  LEU  38          HD21      LEU  38 -12.599  -2.111  -3.214
  636   HD22  LEU  38          HD22      LEU  38 -12.145  -1.430  -1.651
  637   HD23  LEU  38          HD23      LEU  38 -13.832  -1.811  -1.989
  638    H    THR  39           H        THR  39 -15.963   1.463  -6.230
  639    HA   THR  39           HA       THR  39 -16.986  -0.839  -7.522
  640    HB   THR  39           HB       THR  39 -18.619   0.733  -8.630
  641    HG1  THR  39           HG1      THR  39 -17.473   2.713  -6.955
  642   HG21  THR  39          HG21      THR  39 -18.327   1.001  -5.639
  643   HG22  THR  39          HG22      THR  39 -19.119  -0.330  -6.481
  644   HG23  THR  39          HG23      THR  39 -19.797   1.296  -6.566
  645    H    ARG  40           H        ARG  40 -15.073   1.852  -8.650
  646    HA   ARG  40           HA       ARG  40 -15.406   1.118 -11.422
  647    HB2  ARG  40           HB2      ARG  40 -13.777   3.250 -10.056
  648    HB3  ARG  40           HB3      ARG  40 -13.783   3.005 -11.798
  649    HG2  ARG  40           HG2      ARG  40 -16.150   3.734 -10.086
  650    HG3  ARG  40           HG3      ARG  40 -15.278   4.802 -11.185
  651    HD2  ARG  40           HD2      ARG  40 -16.905   2.372 -11.911
  652    HD3  ARG  40           HD3      ARG  40 -17.302   4.057 -12.249
  653    HE   ARG  40           HE       ARG  40 -14.862   2.907 -13.400
  654   HH11  ARG  40          HH12      ARG  40 -18.059   4.258 -13.815
  655   HH12  ARG  40          HH11      ARG  40 -17.933   4.365 -15.543
  656   HH21  ARG  40          HH22      ARG  40 -14.680   3.054 -15.686
  657   HH22  ARG  40          HH21      ARG  40 -16.011   3.695 -16.602
  658    H    GLU  41           H        GLU  41 -12.570   1.434  -9.248
  659    HA   GLU  41           HA       GLU  41 -11.090  -0.135 -11.226
  660    HB2  GLU  41           HB2      GLU  41 -10.314   1.986  -9.297
  661    HB3  GLU  41           HB3      GLU  41  -9.104   0.789  -9.749
  662    HG2  GLU  41           HG2      GLU  41  -9.286   1.351 -12.043
  663    HG3  GLU  41           HG3      GLU  41 -10.695   2.362 -11.752
  664    H    LEU  42           H        LEU  42 -12.509  -0.644  -8.198
  665    HA   LEU  42           HA       LEU  42 -10.691  -2.938  -7.790
  666    HB2  LEU  42           HB2      LEU  42 -12.031  -1.330  -5.613
  667    HB3  LEU  42           HB3      LEU  42 -11.053  -2.759  -5.364
  668    HG   LEU  42           HG       LEU  42  -9.181  -1.354  -6.519
  669   HD11  LEU  42          HD11      LEU  42 -10.553   0.520  -7.199
  670   HD12  LEU  42          HD12      LEU  42 -11.063   0.805  -5.534
  671   HD13  LEU  42          HD13      LEU  42  -9.372   1.047  -5.998
  672   HD21  LEU  42          HD21      LEU  42 -10.130  -0.795  -3.713
  673   HD22  LEU  42          HD22      LEU  42  -9.145  -2.167  -4.219
  674   HD23  LEU  42          HD23      LEU  42  -8.498  -0.531  -4.327
  675    HA   PRO  43           HA       PRO  43 -15.403  -3.862  -7.652
  676    HB2  PRO  43           HB2      PRO  43 -15.367  -5.137 -10.251
  677    HB3  PRO  43           HB3      PRO  43 -16.336  -3.767  -9.706
  678    HG2  PRO  43           HG2      PRO  43 -14.331  -3.569 -11.552
  679    HG3  PRO  43           HG3      PRO  43 -14.848  -2.235 -10.508
  680    HD2  PRO  43           HD2      PRO  43 -12.481  -4.040 -10.249
  681    HD3  PRO  43           HD3      PRO  43 -12.620  -2.302  -9.907
  682    H    SER  44           H        SER  44 -12.648  -5.645  -8.742
  683    HA   SER  44           HA       SER  44 -13.679  -8.251  -8.412
  684    HB2  SER  44           HB2      SER  44 -10.802  -7.322  -8.194
  685    HB3  SER  44           HB3      SER  44 -11.354  -8.967  -8.517
  686    HG   SER  44           HG       SER  44 -10.821  -7.130 -10.296
  687    H    PHE  45           H        PHE  45 -12.976  -5.824  -6.173
  688    HA   PHE  45           HA       PHE  45 -12.658  -7.776  -3.995
  689    HB2  PHE  45           HB2      PHE  45 -12.124  -4.797  -3.959
  690    HB3  PHE  45           HB3      PHE  45 -11.788  -5.934  -2.654
  691    HD1  PHE  45           HD2      PHE  45 -10.176  -7.880  -3.215
  692    HD2  PHE  45           HD1      PHE  45 -10.481  -4.304  -5.502
  693    HE1  PHE  45           HE2      PHE  45  -7.944  -8.296  -4.161
  694    HE2  PHE  45           HE1      PHE  45  -8.251  -4.717  -6.454
  695    HZ   PHE  45           HZ       PHE  45  -6.980  -6.715  -5.782
  696    H    LEU  46           H        LEU  46 -15.119  -6.513  -5.517
  697    HA   LEU  46           HA       LEU  46 -16.601  -5.822  -3.067
  698    HB2  LEU  46           HB2      LEU  46 -17.407  -5.100  -5.873
  699    HB3  LEU  46           HB3      LEU  46 -18.114  -4.512  -4.370
  700    HG   LEU  46           HG       LEU  46 -15.352  -3.859  -5.422
  701   HD11  LEU  46          HD11      LEU  46 -16.268  -1.603  -5.649
  702   HD12  LEU  46          HD12      LEU  46 -17.138  -2.767  -6.649
  703   HD13  LEU  46          HD13      LEU  46 -17.848  -2.197  -5.139
  704   HD21  LEU  46          HD21      LEU  46 -15.419  -3.992  -2.965
  705   HD22  LEU  46          HD22      LEU  46 -15.178  -2.342  -3.539
  706   HD23  LEU  46          HD23      LEU  46 -16.763  -2.847  -2.954
  707    H    GLY  47           H        GLY  47 -16.758  -7.542  -6.129
  708    HA2  GLY  47           HA2      GLY  47 -17.755  -9.578  -6.593
  709    HA3  GLY  47           HA3      GLY  47 -18.290  -9.652  -4.922
  710    H    LYS  48           H        LYS  48 -19.038  -6.864  -6.855
  711    HA   LYS  48           HA       LYS  48 -20.993  -5.969  -7.601
  712    HB2  LYS  48           HB2      LYS  48 -20.746  -7.965  -9.130
  713    HB3  LYS  48           HB3      LYS  48 -21.852  -8.829  -8.074
  714    HG2  LYS  48           HG2      LYS  48 -23.035  -7.985  -9.991
  715    HG3  LYS  48           HG3      LYS  48 -23.584  -7.146  -8.540
  716    HD2  LYS  48           HD2      LYS  48 -23.307  -5.541 -10.310
  717    HD3  LYS  48           HD3      LYS  48 -22.046  -5.280  -9.103
  718    HE2  LYS  48           HE2      LYS  48 -20.460  -6.520 -10.496
  719    HE3  LYS  48           HE3      LYS  48 -21.722  -6.783 -11.699
  720    HZ1  LYS  48           HZ1      LYS  48 -21.886  -4.348 -11.935
  721    HZ2  LYS  48           HZ2      LYS  48 -20.364  -4.955 -12.377
  722    HZ3  LYS  48           HZ3      LYS  48 -20.564  -4.171 -10.885
  723    H    ARG  49           H        ARG  49 -20.737  -6.831  -4.765
  724    HA   ARG  49           HA       ARG  49 -23.587  -6.782  -4.094
  725    HB2  ARG  49           HB2      ARG  49 -23.186  -8.406  -2.290
  726    HB3  ARG  49           HB3      ARG  49 -22.815  -9.080  -3.870
  727    HG2  ARG  49           HG2      ARG  49 -20.398  -8.492  -3.400
  728    HG3  ARG  49           HG3      ARG  49 -20.905  -8.210  -1.734
  729    HD2  ARG  49           HD2      ARG  49 -20.063 -10.452  -1.913
  730    HD3  ARG  49           HD3      ARG  49 -21.808 -10.519  -1.671
  731    HE   ARG  49           HE       ARG  49 -21.826 -10.751  -4.244
  732   HH11  ARG  49          HH12      ARG  49 -19.369 -12.073  -2.128
  733   HH12  ARG  49          HH11      ARG  49 -19.005 -13.404  -3.178
  734   HH21  ARG  49          HH22      ARG  49 -21.336 -12.488  -5.629
  735   HH22  ARG  49          HH21      ARG  49 -20.109 -13.639  -5.170
  736    H    THR  50           H        THR  50 -21.743  -4.643  -4.244
  737    HA   THR  50           HA       THR  50 -21.135  -4.074  -1.435
  738    HB   THR  50           HB       THR  50 -19.923  -2.055  -2.754
  739    HG1  THR  50           HG1      THR  50 -20.609  -3.242  -4.763
  740   HG21  THR  50          HG21      THR  50 -17.867  -3.359  -2.429
  741   HG22  THR  50          HG22      THR  50 -18.823  -4.829  -2.237
  742   HG23  THR  50          HG23      THR  50 -18.955  -3.529  -1.050
  743    H    ASP  51           H        ASP  51 -22.939  -3.271  -0.642
  744    HA   ASP  51           HA       ASP  51 -23.712  -0.625  -1.679
  745    HB2  ASP  51           HB2      ASP  51 -25.267  -2.629  -0.052
  746    HB3  ASP  51           HB3      ASP  51 -25.711  -0.927  -0.070
  747    H    GLU  52           H        GLU  52 -24.864   0.293   0.731
  748    HA   GLU  52           HA       GLU  52 -22.576   1.439   1.895
  749    HB2  GLU  52           HB2      GLU  52 -25.447   1.407   2.818
  750    HB3  GLU  52           HB3      GLU  52 -24.187   2.398   3.543
  751    HG2  GLU  52           HG2      GLU  52 -25.075   2.524   0.677
  752    HG3  GLU  52           HG3      GLU  52 -25.554   3.649   1.950
  753    H    ALA  53           H        ALA  53 -24.346  -1.432   2.703
  754    HA   ALA  53           HA       ALA  53 -23.656  -1.573   5.442
  755    HB1  ALA  53           HB1      ALA  53 -25.479  -2.875   4.456
  756    HB2  ALA  53           HB2      ALA  53 -24.303  -3.828   3.553
  757    HB3  ALA  53           HB3      ALA  53 -24.329  -3.902   5.315
  758    H    ALA  54           H        ALA  54 -22.171  -2.993   2.540
  759    HA   ALA  54           HA       ALA  54 -20.083  -4.296   3.956
  760    HB1  ALA  54           HB1      ALA  54 -20.252  -3.495   1.054
  761    HB2  ALA  54           HB2      ALA  54 -19.021  -4.555   1.750
  762    HB3  ALA  54           HB3      ALA  54 -20.715  -5.051   1.751
  763    H    PHE  55           H        PHE  55 -20.419  -1.149   2.449
  764    HA   PHE  55           HA       PHE  55 -17.672  -0.433   2.771
  765    HB2  PHE  55           HB2      PHE  55 -20.155   0.989   1.911
  766    HB3  PHE  55           HB3      PHE  55 -18.738   1.940   2.346
  767    HD1  PHE  55           HD1      PHE  55 -20.012  -0.648   0.045
  768    HD2  PHE  55           HD2      PHE  55 -16.856   2.061   0.933
  769    HE1  PHE  55           HE1      PHE  55 -19.031  -1.066  -2.172
  770    HE2  PHE  55           HE2      PHE  55 -15.876   1.651  -1.282
  771    HZ   PHE  55           HZ       PHE  55 -16.963   0.084  -2.838
  772    H    GLN  56           H        GLN  56 -20.381  -0.481   4.827
  773    HA   GLN  56           HA       GLN  56 -19.833   1.586   6.618
  774    HB2  GLN  56           HB2      GLN  56 -21.911   0.307   6.645
  775    HB3  GLN  56           HB3      GLN  56 -21.038  -1.138   7.128
  776    HG2  GLN  56           HG2      GLN  56 -20.399   0.021   9.226
  777    HG3  GLN  56           HG3      GLN  56 -21.427   1.369   8.740
  778   HE21  GLN  56          HE21      GLN  56 -22.192  -1.964   8.076
  779   HE22  GLN  56          HE22      GLN  56 -23.543  -2.077   9.149
  780    H    LYS  57           H        LYS  57 -18.736  -1.805   6.658
  781    HA   LYS  57           HA       LYS  57 -17.096  -1.358   8.978
  782    HB2  LYS  57           HB2      LYS  57 -18.057  -3.622   7.545
  783    HB3  LYS  57           HB3      LYS  57 -16.304  -3.720   7.599
  784    HG2  LYS  57           HG2      LYS  57 -17.996  -3.282  10.044
  785    HG3  LYS  57           HG3      LYS  57 -17.544  -4.880   9.455
  786    HD2  LYS  57           HD2      LYS  57 -15.860  -4.538  10.963
  787    HD3  LYS  57           HD3      LYS  57 -15.113  -3.825   9.534
  788    HE2  LYS  57           HE2      LYS  57 -15.764  -1.607  10.268
  789    HE3  LYS  57           HE3      LYS  57 -16.619  -2.289  11.652
  790    HZ1  LYS  57           HZ1      LYS  57 -13.691  -2.373  11.148
  791    HZ2  LYS  57           HZ2      LYS  57 -14.461  -3.191  12.415
  792    HZ3  LYS  57           HZ3      LYS  57 -14.488  -1.496  12.364
  793    H    LEU  58           H        LEU  58 -16.653  -1.603   5.506
  794    HA   LEU  58           HA       LEU  58 -13.895  -1.641   5.306
  795    HB2  LEU  58           HB2      LEU  58 -15.259  -1.847   3.349
  796    HB3  LEU  58           HB3      LEU  58 -15.965  -0.262   3.604
  797    HG   LEU  58           HG       LEU  58 -13.863   0.814   3.069
  798   HD11  LEU  58          HD11      LEU  58 -12.847  -1.980   3.158
  799   HD12  LEU  58          HD12      LEU  58 -12.069  -0.804   2.094
  800   HD13  LEU  58          HD13      LEU  58 -12.163  -0.504   3.825
  801   HD21  LEU  58          HD21      LEU  58 -15.327   0.323   1.213
  802   HD22  LEU  58          HD22      LEU  58 -13.645   0.140   0.718
  803   HD23  LEU  58          HD23      LEU  58 -14.629  -1.287   1.046
  804    H    MET  59           H        MET  59 -15.769   1.313   4.829
  805    HA   MET  59           HA       MET  59 -14.146   3.341   5.237
  806    HB2  MET  59           HB2      MET  59 -16.725   3.237   5.102
  807    HB3  MET  59           HB3      MET  59 -16.671   3.210   6.861
  808    HG2  MET  59           HG2      MET  59 -17.014   5.450   6.067
  809    HG3  MET  59           HG3      MET  59 -15.430   5.314   6.839
  810    HE1  MET  59           HE1      MET  59 -15.402   7.884   5.125
  811    HE2  MET  59           HE2      MET  59 -14.209   7.003   6.092
  812    HE3  MET  59           HE3      MET  59 -13.818   7.494   4.442
  813    H    SER  60           H        SER  60 -15.614   1.597   7.955
  814    HA   SER  60           HA       SER  60 -14.424   2.984  10.059
  815    HB2  SER  60           HB2      SER  60 -16.315   1.324  10.180
  816    HB3  SER  60           HB3      SER  60 -15.088   0.061   9.990
  817    HG   SER  60           HG       SER  60 -14.665   1.961  11.994
  818    H    ASN  61           H        ASN  61 -13.464  -0.103   8.594
  819    HA   ASN  61           HA       ASN  61 -11.254  -0.664  10.183
  820    HB2  ASN  61           HB2      ASN  61 -11.850  -1.355   7.313
  821    HB3  ASN  61           HB3      ASN  61 -10.466  -1.997   8.188
  822   HD21  ASN  61          HD21      ASN  61 -12.667  -3.425   7.014
  823   HD22  ASN  61          HD22      ASN  61 -13.418  -4.296   8.303
  824    H    LEU  62           H        LEU  62 -11.419   1.035   7.094
  825    HA   LEU  62           HA       LEU  62  -8.715   1.833   6.918
  826    HB2  LEU  62           HB2      LEU  62 -11.256   3.076   5.935
  827    HB3  LEU  62           HB3      LEU  62  -9.755   3.971   5.813
  828    HG   LEU  62           HG       LEU  62  -8.817   2.053   4.497
  829   HD11  LEU  62          HD11      LEU  62 -10.271   0.305   5.218
  830   HD12  LEU  62          HD12      LEU  62 -11.683   1.174   4.615
  831   HD13  LEU  62          HD13      LEU  62 -10.487   0.548   3.484
  832   HD21  LEU  62          HD21      LEU  62 -11.294   3.290   3.311
  833   HD22  LEU  62          HD22      LEU  62  -9.744   4.122   3.478
  834   HD23  LEU  62          HD23      LEU  62  -9.872   2.695   2.452
  835    H    ASP  63           H        ASP  63 -11.476   3.483   8.313
  836    HA   ASP  63           HA       ASP  63 -10.110   5.761   9.251
  837    HB2  ASP  63           HB2      ASP  63 -12.486   5.765   8.792
  838    HB3  ASP  63           HB3      ASP  63 -12.761   4.515   9.995
  839    H    SER  64           H        SER  64  -8.288   4.729  10.261
  840    HA   SER  64           HA       SER  64  -8.607   3.076  12.582
  841    HB2  SER  64           HB2      SER  64  -6.198   3.047  12.636
  842    HB3  SER  64           HB3      SER  64  -6.679   2.985  10.940
  843    HG   SER  64           HG       SER  64  -6.335   5.287  10.881
  844    H    ASN  65           H        ASN  65  -8.147   6.438  11.889
  845    HA   ASN  65           HA       ASN  65  -7.517   7.200  14.588
  846    HB2  ASN  65           HB2      ASN  65  -7.515   9.454  13.779
  847    HB3  ASN  65           HB3      ASN  65  -6.773   8.461  12.531
  848   HD21  ASN  65          HD21      ASN  65  -8.059   7.927  10.651
  849   HD22  ASN  65          HD22      ASN  65  -9.345   8.984  10.170
  850    H    ARG  66           H        ARG  66 -10.290   6.339  12.934
  851    HA   ARG  66           HA       ARG  66 -12.453   6.130  13.528
  852    HB2  ARG  66           HB2      ARG  66 -11.535   6.941  16.289
  853    HB3  ARG  66           HB3      ARG  66 -13.042   6.134  15.888
  854    HG2  ARG  66           HG2      ARG  66 -10.265   4.996  15.620
  855    HG3  ARG  66           HG3      ARG  66 -11.478   4.552  16.818
  856    HD2  ARG  66           HD2      ARG  66 -12.948   3.848  14.885
  857    HD3  ARG  66           HD3      ARG  66 -11.537   4.055  13.848
  858    HE   ARG  66           HE       ARG  66 -11.336   2.266  16.171
  859   HH11  ARG  66          HH12      ARG  66 -11.359   2.691  12.680
  860   HH12  ARG  66          HH11      ARG  66 -10.931   1.039  12.361
  861   HH21  ARG  66          HH22      ARG  66 -10.800   0.082  15.724
  862   HH22  ARG  66          HH21      ARG  66 -10.599  -0.431  14.071
  863    H    ASP  67           H        ASP  67 -12.227   8.286  12.153
  864    HA   ASP  67           HA       ASP  67 -13.901  10.244  13.590
  865    HB2  ASP  67           HB2      ASP  67 -11.505  11.021  13.257
  866    HB3  ASP  67           HB3      ASP  67 -11.838  11.028  11.529
  867    H    ASN  68           H        ASN  68 -13.727   8.049  11.182
  868    HA   ASN  68           HA       ASN  68 -15.129   7.451   9.494
  869    HB2  ASN  68           HB2      ASN  68 -16.690   9.797  10.524
  870    HB3  ASN  68           HB3      ASN  68 -17.168   8.959   9.067
  871   HD21  ASN  68          HD21      ASN  68 -15.638   7.183  11.518
  872   HD22  ASN  68          HD22      ASN  68 -17.032   6.336  12.105
  873    H    GLU  69           H        GLU  69 -12.863   9.299   9.139
  874    HA   GLU  69           HA       GLU  69 -13.519  10.019   6.382
  875    HB2  GLU  69           HB2      GLU  69 -12.119  11.799   8.373
  876    HB3  GLU  69           HB3      GLU  69 -11.970  12.018   6.637
  877    HG2  GLU  69           HG2      GLU  69 -14.469  12.237   6.557
  878    HG3  GLU  69           HG3      GLU  69 -14.440  12.283   8.320
  879    H    VAL  70           H        VAL  70 -12.145   9.031   5.058
  880    HA   VAL  70           HA       VAL  70  -9.759   7.841   6.139
  881    HB   VAL  70           HB       VAL  70 -10.815   7.836   3.315
  882   HG11  VAL  70          HG11      VAL  70  -8.400   7.548   3.320
  883   HG12  VAL  70          HG12      VAL  70  -8.545   6.267   4.525
  884   HG13  VAL  70          HG13      VAL  70  -9.205   6.036   2.907
  885   HG21  VAL  70          HG21      VAL  70 -12.252   6.648   4.857
  886   HG22  VAL  70          HG22      VAL  70 -11.393   5.501   3.829
  887   HG23  VAL  70          HG23      VAL  70 -10.866   5.757   5.491
  888    H    ASP  71           H        ASP  71  -8.378   9.402   6.676
  889    HA   ASP  71           HA       ASP  71  -7.355  11.367   4.891
  890    HB2  ASP  71           HB2      ASP  71  -7.043  11.448   7.360
  891    HB3  ASP  71           HB3      ASP  71  -6.056   9.991   7.271
  892    H    PHE  72           H        PHE  72  -5.014  11.164   4.048
  893    HA   PHE  72           HA       PHE  72  -4.821   8.943   2.351
  894    HB2  PHE  72           HB2      PHE  72  -3.710  11.187   2.020
  895    HB3  PHE  72           HB3      PHE  72  -2.506  10.683   3.203
  896    HD1  PHE  72           HD1      PHE  72  -4.081   8.446   0.743
  897    HD2  PHE  72           HD2      PHE  72  -0.618  10.685   1.776
  898    HE1  PHE  72           HE1      PHE  72  -2.842   7.317  -1.033
  899    HE2  PHE  72           HE2      PHE  72   0.626   9.582  -0.021
  900    HZ   PHE  72           HZ       PHE  72  -0.457   7.871  -1.394
  901    H    GLN  73           H        GLN  73  -3.724   9.506   5.576
  902    HA   GLN  73           HA       GLN  73  -1.914   7.397   5.926
  903    HB2  GLN  73           HB2      GLN  73  -3.909   8.669   7.795
  904    HB3  GLN  73           HB3      GLN  73  -2.824   7.390   8.319
  905    HG2  GLN  73           HG2      GLN  73  -1.888   9.977   7.113
  906    HG3  GLN  73           HG3      GLN  73  -2.087   9.716   8.847
  907   HE21  GLN  73          HE21      GLN  73  -1.223   6.934   8.685
  908   HE22  GLN  73          HE22      GLN  73   0.487   6.974   8.449
  909    H    GLU  74           H        GLU  74  -5.450   7.478   6.242
  910    HA   GLU  74           HA       GLU  74  -5.617   4.715   7.000
  911    HB2  GLU  74           HB2      GLU  74  -7.972   6.220   5.940
  912    HB3  GLU  74           HB3      GLU  74  -7.883   5.096   7.286
  913    HG2  GLU  74           HG2      GLU  74  -6.844   7.916   7.294
  914    HG3  GLU  74           HG3      GLU  74  -8.362   7.386   8.004
  915    H    TYR  75           H        TYR  75  -5.173   6.383   4.160
  916    HA   TYR  75           HA       TYR  75  -6.654   4.571   2.452
  917    HB2  TYR  75           HB2      TYR  75  -6.599   7.064   2.114
  918    HB3  TYR  75           HB3      TYR  75  -4.912   6.900   1.650
  919    HD1  TYR  75           HD2      TYR  75  -4.359   5.446  -0.347
  920    HD2  TYR  75           HD1      TYR  75  -8.319   6.730   0.571
  921    HE1  TYR  75           HE2      TYR  75  -5.037   4.951  -2.665
  922    HE2  TYR  75           HE1      TYR  75  -9.003   6.234  -1.754
  923    HH   TYR  75           HH       TYR  75  -7.053   4.465  -3.919
  924    H    CYS  76           H        CYS  76  -3.265   5.373   3.203
  925    HA   CYS  76           HA       CYS  76  -2.086   3.782   1.195
  926    HB2  CYS  76           HB2      CYS  76  -0.054   3.866   2.489
  927    HB3  CYS  76           HB3      CYS  76  -0.840   5.418   2.629
  928    HG   CYS  76           HG       CYS  76   0.177   3.441   4.997
  929    H    VAL  77           H        VAL  77  -3.118   3.087   4.457
  930    HA   VAL  77           HA       VAL  77  -2.242   0.379   4.441
  931    HB   VAL  77           HB       VAL  77  -3.416   0.195   6.572
  932   HG11  VAL  77          HG11      VAL  77  -2.188   1.956   7.761
  933   HG12  VAL  77          HG12      VAL  77  -1.204   1.187   6.514
  934   HG13  VAL  77          HG13      VAL  77  -1.906   2.780   6.226
  935   HG21  VAL  77          HG21      VAL  77  -5.411   1.509   6.057
  936   HG22  VAL  77          HG22      VAL  77  -4.620   2.121   7.510
  937   HG23  VAL  77          HG23      VAL  77  -4.437   2.977   5.979
  938    H    PHE  78           H        PHE  78  -5.173   2.063   3.613
  939    HA   PHE  78           HA       PHE  78  -7.035   0.065   3.447
  940    HB2  PHE  78           HB2      PHE  78  -7.697   2.277   2.914
  941    HB3  PHE  78           HB3      PHE  78  -6.438   2.450   1.702
  942    HD1  PHE  78           HD2      PHE  78  -9.338   0.162   2.301
  943    HD2  PHE  78           HD1      PHE  78  -7.151   2.587  -0.415
  944    HE1  PHE  78           HE2      PHE  78 -10.944  -0.382   0.526
  945    HE2  PHE  78           HE1      PHE  78  -8.747   2.054  -2.195
  946    HZ   PHE  78           HZ       PHE  78 -10.657   0.565  -1.730
  947    H    LEU  79           H        LEU  79  -4.870   1.076   0.820
  948    HA   LEU  79           HA       LEU  79  -5.546  -1.124  -0.812
  949    HB2  LEU  79           HB2      LEU  79  -3.375   0.935  -0.937
  950    HB3  LEU  79           HB3      LEU  79  -3.508  -0.349  -2.134
  951    HG   LEU  79           HG       LEU  79  -5.517   1.811  -1.525
  952   HD11  LEU  79          HD11      LEU  79  -5.194   2.364  -3.888
  953   HD12  LEU  79          HD12      LEU  79  -3.694   2.492  -2.968
  954   HD13  LEU  79          HD13      LEU  79  -3.971   1.097  -4.011
  955   HD21  LEU  79          HD21      LEU  79  -6.962   0.744  -3.157
  956   HD22  LEU  79          HD22      LEU  79  -5.800  -0.570  -3.345
  957   HD23  LEU  79          HD23      LEU  79  -6.631  -0.348  -1.807
  958    H    SER  80           H        SER  80  -2.637  -0.467   1.118
  959    HA   SER  80           HA       SER  80  -1.204  -2.644   0.083
  960    HB2  SER  80           HB2      SER  80  -0.890  -1.303   2.766
  961    HB3  SER  80           HB3      SER  80   0.330  -2.265   1.928
  962    HG   SER  80           HG       SER  80  -0.693   0.278   1.286
  963    H    CYS  81           H        CYS  81  -3.537  -2.408   2.658
  964    HA   CYS  81           HA       CYS  81  -3.056  -5.097   3.543
  965    HB2  CYS  81           HB2      CYS  81  -5.156  -3.059   4.217
  966    HB3  CYS  81           HB3      CYS  81  -5.125  -4.680   4.920
  967    HG   CYS  81           HG       CYS  81  -2.601  -2.378   5.189
  968    H    ILE  82           H        ILE  82  -4.899  -3.624   1.030
  969    HA   ILE  82           HA       ILE  82  -6.711  -5.870   0.763
  970    HB   ILE  82           HB       ILE  82  -6.087  -3.867  -1.420
  971   HG12  ILE  82          HG12      ILE  82  -8.176  -3.735   0.762
  972   HG13  ILE  82          HG13      ILE  82  -6.841  -2.611   0.503
  973   HG21  ILE  82          HG21      ILE  82  -8.528  -5.578  -0.917
  974   HG22  ILE  82          HG22      ILE  82  -8.243  -4.530  -2.307
  975   HG23  ILE  82          HG23      ILE  82  -7.244  -5.965  -2.066
  976   HD11  ILE  82          HD11      ILE  82  -8.952  -1.685  -0.253
  977   HD12  ILE  82          HD12      ILE  82  -7.829  -1.901  -1.594
  978   HD13  ILE  82          HD13      ILE  82  -9.156  -3.040  -1.365
  979    H    ALA  83           H        ALA  83  -3.512  -4.891  -0.481
  980    HA   ALA  83           HA       ALA  83  -3.065  -6.968  -2.259
  981    HB1  ALA  83           HB1      ALA  83  -1.413  -5.269  -1.784
  982    HB2  ALA  83           HB2      ALA  83  -1.212  -5.891  -0.146
  983    HB3  ALA  83           HB3      ALA  83  -0.724  -6.873  -1.527
  984    H    MET  84           H        MET  84  -2.376  -7.012   1.223
  985    HA   MET  84           HA       MET  84  -1.824  -9.723   1.481
  986    HB2  MET  84           HB2      MET  84  -3.010  -7.778   3.451
  987    HB3  MET  84           HB3      MET  84  -2.579  -9.425   3.883
  988    HG2  MET  84           HG2      MET  84  -0.263  -8.983   3.268
  989    HG3  MET  84           HG3      MET  84  -0.694  -7.329   2.834
  990    HE1  MET  84           HE1      MET  84  -1.339  -5.445   4.592
  991    HE2  MET  84           HE2      MET  84  -2.734  -6.473   4.927
  992    HE3  MET  84           HE3      MET  84  -1.773  -5.825   6.260
  993    H    MET  85           H        MET  85  -4.904  -8.033   1.634
  994    HA   MET  85           HA       MET  85  -6.437 -10.317   2.306
  995    HB2  MET  85           HB2      MET  85  -7.186  -7.990   2.726
  996    HB3  MET  85           HB3      MET  85  -7.300  -7.738   0.985
  997    HG2  MET  85           HG2      MET  85  -8.801 -10.040   2.033
  998    HG3  MET  85           HG3      MET  85  -9.368  -8.442   2.529
  999    HE1  MET  85           HE1      MET  85 -10.662  -6.762  -0.526
 1000    HE2  MET  85           HE2      MET  85 -11.207  -7.251   1.089
 1001    HE3  MET  85           HE3      MET  85  -9.610  -6.498   0.876
 1002    H    CYS  86           H        CYS  86  -5.600  -8.757  -0.784
 1003    HA   CYS  86           HA       CYS  86  -7.193 -10.428  -2.410
 1004    HB2  CYS  86           HB2      CYS  86  -6.262  -8.262  -3.159
 1005    HB3  CYS  86           HB3      CYS  86  -4.648  -8.961  -3.132
 1006    HG   CYS  86           HG       CYS  86  -7.165 -10.095  -5.156
 1007    H    ASN  87           H        ASN  87  -4.197 -10.986  -0.795
 1008    HA   ASN  87           HA       ASN  87  -3.025 -12.925  -2.431
 1009    HB2  ASN  87           HB2      ASN  87  -2.001 -11.940  -0.365
 1010    HB3  ASN  87           HB3      ASN  87  -3.072 -12.953   0.594
 1011   HD21  ASN  87          HD21      ASN  87  -1.458 -13.884  -2.400
 1012   HD22  ASN  87          HD22      ASN  87  -0.437 -15.087  -1.688
 1013    H    GLU  88           H        GLU  88  -5.760 -13.089  -0.288
 1014    HA   GLU  88           HA       GLU  88  -6.033 -15.903  -0.196
 1015    HB2  GLU  88           HB2      GLU  88  -7.211 -13.997   1.182
 1016    HB3  GLU  88           HB3      GLU  88  -8.394 -14.057  -0.118
 1017    HG2  GLU  88           HG2      GLU  88  -9.140 -15.441   1.683
 1018    HG3  GLU  88           HG3      GLU  88  -8.692 -16.469   0.320
 1019    H    PHE  89           H        PHE  89  -7.392 -13.401  -2.290
 1020    HA   PHE  89           HA       PHE  89  -8.872 -15.214  -3.938
 1021    HB2  PHE  89           HB2      PHE  89  -8.053 -12.336  -4.422
 1022    HB3  PHE  89           HB3      PHE  89  -9.228 -13.232  -5.378
 1023    HD1  PHE  89           HD1      PHE  89  -8.555 -11.739  -2.080
 1024    HD2  PHE  89           HD2      PHE  89 -11.455 -13.523  -4.631
 1025    HE1  PHE  89           HE1      PHE  89 -10.339 -11.029  -0.543
 1026    HE2  PHE  89           HE2      PHE  89 -13.242 -12.817  -3.098
 1027    HZ   PHE  89           HZ       PHE  89 -12.686 -11.570  -1.050
 1028    H    PHE  90           H        PHE  90  -5.698 -13.822  -3.970
 1029    HA   PHE  90           HA       PHE  90  -4.878 -14.356  -6.581
 1030    HB2  PHE  90           HB2      PHE  90  -3.575 -13.004  -5.014
 1031    HB3  PHE  90           HB3      PHE  90  -3.290 -14.414  -4.003
 1032    HD1  PHE  90           HD2      PHE  90  -2.782 -13.278  -7.518
 1033    HD2  PHE  90           HD1      PHE  90  -1.295 -15.518  -4.219
 1034    HE1  PHE  90           HE2      PHE  90  -0.716 -13.743  -8.769
 1035    HE2  PHE  90           HE1      PHE  90   0.775 -15.985  -5.464
 1036    HZ   PHE  90           HZ       PHE  90   1.065 -15.096  -7.741
 1037    H    GLU  91           H        GLU  91  -4.691 -16.384  -3.670
 1038    HA   GLU  91           HA       GLU  91  -3.839 -18.702  -5.132
 1039    HB2  GLU  91           HB2      GLU  91  -4.957 -18.377  -2.340
 1040    HB3  GLU  91           HB3      GLU  91  -4.351 -19.896  -2.989
 1041    HG2  GLU  91           HG2      GLU  91  -2.741 -17.375  -2.647
 1042    HG3  GLU  91           HG3      GLU  91  -2.708 -18.771  -1.571
 1043    H    GLY  92           H        GLY  92  -6.868 -17.447  -3.856
 1044    HA2  GLY  92           HA2      GLY  92  -8.835 -17.700  -5.260
 1045    HA3  GLY  92           HA3      GLY  92  -8.279 -19.322  -5.642
 1046    H    PHE  93           H        PHE  93  -7.608 -18.901  -2.493
 1047    HA   PHE  93           HA       PHE  93  -8.300 -20.196  -0.760
 1048    HB2  PHE  93           HB2      PHE  93 -10.255 -19.215   0.400
 1049    HB3  PHE  93           HB3      PHE  93  -9.047 -18.041  -0.091
 1050    HD1  PHE  93           HD1      PHE  93  -9.522 -16.565  -2.061
 1051    HD2  PHE  93           HD2      PHE  93 -12.485 -19.062  -0.303
 1052    HE1  PHE  93           HE1      PHE  93 -11.284 -15.211  -3.112
 1053    HE2  PHE  93           HE2      PHE  93 -14.253 -17.716  -1.358
 1054    HZ   PHE  93           HZ       PHE  93 -13.653 -15.787  -2.765
 1055    HA   PRO  94           HA       PRO  94 -10.653 -23.537  -2.620
 1056    HB2  PRO  94           HB2      PRO  94  -9.527 -24.843  -0.205
 1057    HB3  PRO  94           HB3      PRO  94  -9.501 -25.378  -1.889
 1058    HG2  PRO  94           HG2      PRO  94  -7.307 -24.415  -0.697
 1059    HG3  PRO  94           HG3      PRO  94  -7.653 -24.100  -2.407
 1060    HD2  PRO  94           HD2      PRO  94  -7.940 -22.295  -0.049
 1061    HD3  PRO  94           HD3      PRO  94  -7.450 -21.913  -1.712
 1062    H    ASP  95           H        ASP  95 -12.634 -22.659  -2.130
 1063    HA   ASP  95           HA       ASP  95 -13.846 -22.248   0.306
 1064    HB2  ASP  95           HB2      ASP  95 -15.140 -23.357  -2.197
 1065    HB3  ASP  95           HB3      ASP  95 -16.006 -22.663  -0.833
 1066    H    LYS  96           H        LYS  96 -13.843 -23.559   1.955
 1067    HA   LYS  96           HA       LYS  96 -13.808 -25.389   3.272
 1068    HB2  LYS  96           HB2      LYS  96 -15.667 -26.822   3.191
 1069    HB3  LYS  96           HB3      LYS  96 -16.245 -25.320   2.491
 1070    HG2  LYS  96           HG2      LYS  96 -16.032 -26.256   0.260
 1071    HG3  LYS  96           HG3      LYS  96 -15.376 -27.747   0.931
 1072    HD2  LYS  96           HD2      LYS  96 -17.480 -28.166   2.089
 1073    HD3  LYS  96           HD3      LYS  96 -18.134 -26.648   1.468
 1074    HE2  LYS  96           HE2      LYS  96 -17.888 -27.475  -0.819
 1075    HE3  LYS  96           HE3      LYS  96 -17.223 -28.987  -0.205
 1076    HZ1  LYS  96           HZ1      LYS  96 -19.950 -27.987   0.418
 1077    HZ2  LYS  96           HZ2      LYS  96 -19.306 -29.506   0.816
 1078    HZ3  LYS  96           HZ3      LYS  96 -19.596 -29.107  -0.807
 1079    H    GLN  97           H        GLN  97 -13.816 -28.000   3.129
 1080    HA   GLN  97           HA       GLN  97 -12.037 -28.727   0.899
 1081    HB2  GLN  97           HB2      GLN  97 -10.928 -28.781   3.128
 1082    HB3  GLN  97           HB3      GLN  97 -12.105 -29.980   3.649
 1083    HG2  GLN  97           HG2      GLN  97 -11.271 -31.599   2.161
 1084    HG3  GLN  97           HG3      GLN  97 -10.330 -30.401   1.269
 1085   HE21  GLN  97          HE21      GLN  97  -8.414 -29.651   2.119
 1086   HE22  GLN  97          HE22      GLN  97  -7.591 -30.455   3.414
 1087    HA   PRO  98           HA       PRO  98 -15.906 -30.757  -0.102
 1088    HB2  PRO  98           HB2      PRO  98 -14.277 -31.633  -2.422
 1089    HB3  PRO  98           HB3      PRO  98 -15.846 -30.824  -2.387
 1090    HG2  PRO  98           HG2      PRO  98 -13.651 -29.488  -3.070
 1091    HG3  PRO  98           HG3      PRO  98 -14.906 -28.726  -2.074
 1092    HD2  PRO  98           HD2      PRO  98 -12.266 -29.870  -1.252
 1093    HD3  PRO  98           HD3      PRO  98 -13.076 -28.393  -0.693
 1094    H    ARG  99           H        ARG  99 -15.943 -32.367   1.454
 1095    HA   ARG  99           HA       ARG  99 -14.661 -34.908   0.676
 1096    HB2  ARG  99           HB2      ARG  99 -15.590 -33.949   3.391
 1097    HB3  ARG  99           HB3      ARG  99 -15.001 -35.573   3.064
 1098    HG2  ARG  99           HG2      ARG  99 -12.836 -34.641   2.389
 1099    HG3  ARG  99           HG3      ARG  99 -13.429 -33.022   2.758
 1100    HD2  ARG  99           HD2      ARG  99 -13.717 -33.629   5.088
 1101    HD3  ARG  99           HD3      ARG  99 -13.230 -35.287   4.740
 1102    HE   ARG  99           HE       ARG  99 -11.237 -33.376   3.978
 1103   HH11  ARG  99          HH12      ARG  99 -12.535 -35.177   6.687
 1104   HH12  ARG  99          HH11      ARG  99 -11.054 -35.137   7.588
 1105   HH21  ARG  99          HH22      ARG  99  -9.292 -33.296   5.176
 1106   HH22  ARG  99          HH21      ARG  99  -9.217 -34.044   6.750
 1107    H    LYS 100           H        LYS 100 -17.316 -33.431   0.073
 1108    HA   LYS 100           HA       LYS 100 -18.901 -35.871   0.017
 1109    HB2  LYS 100           HB2      LYS 100 -19.639 -34.611   2.041
 1110    HB3  LYS 100           HB3      LYS 100 -20.017 -33.236   1.014
 1111    HG2  LYS 100           HG2      LYS 100 -21.620 -34.725  -0.218
 1112    HG3  LYS 100           HG3      LYS 100 -21.353 -35.928   1.046
 1113    HD2  LYS 100           HD2      LYS 100 -22.033 -34.187   2.716
 1114    HD3  LYS 100           HD3      LYS 100 -22.490 -33.155   1.360
 1115    HE2  LYS 100           HE2      LYS 100 -24.461 -34.248   2.136
 1116    HE3  LYS 100           HE3      LYS 100 -24.018 -34.977   0.593
 1117    HZ1  LYS 100           HZ1      LYS 100 -24.658 -36.628   2.267
 1118    HZ2  LYS 100           HZ2      LYS 100 -23.376 -36.122   3.258
 1119    HZ3  LYS 100           HZ3      LYS 100 -23.056 -36.838   1.754
 1120    H    LYS 101           H        LYS 101 -19.547 -32.450  -0.594
 1121    HA   LYS 101           HA       LYS 101 -19.224 -32.849  -3.457
 1122    HB2  LYS 101           HB2      LYS 101 -21.769 -31.970  -2.127
 1123    HB3  LYS 101           HB3      LYS 101 -21.359 -31.372  -3.727
 1124    HG2  LYS 101           HG2      LYS 101 -21.699 -34.258  -2.942
 1125    HG3  LYS 101           HG3      LYS 101 -22.833 -33.281  -3.878
 1126    HD2  LYS 101           HD2      LYS 101 -21.102 -32.986  -5.612
 1127    HD3  LYS 101           HD3      LYS 101 -20.024 -34.033  -4.688
 1128    HE2  LYS 101           HE2      LYS 101 -21.697 -35.848  -4.883
 1129    HE3  LYS 101           HE3      LYS 101 -22.674 -34.795  -5.903
 1130    HZ1  LYS 101           HZ1      LYS 101 -21.407 -36.204  -7.313
 1131    HZ2  LYS 101           HZ2      LYS 101 -19.967 -35.854  -6.489
 1132    HZ3  LYS 101           HZ3      LYS 101 -20.720 -34.656  -7.419
 1133    H    MET   1           H1       MET   1  -4.339   2.206 -19.821
 1134    HA   MET   1           HA       MET   1  -2.981   0.562 -20.872
 1135    HB2  MET   1           HB2      MET   1  -1.295   0.750 -18.367
 1136    HB3  MET   1           HB3      MET   1  -1.094  -0.449 -19.637
 1137    HG2  MET   1           HG2      MET   1  -0.752   2.523 -19.946
 1138    HG3  MET   1           HG3      MET   1   0.544   1.336 -19.812
 1139    HE1  MET   1           HE1      MET   1   0.330   3.486 -22.143
 1140    HE2  MET   1           HE2      MET   1   1.636   2.305 -22.025
 1141    HE3  MET   1           HE3      MET   1   0.758   2.500 -23.542
 1142    H    ALA   2           H        ALA   2  -2.644  -0.006 -17.402
 1143    HA   ALA   2           HA       ALA   2  -4.591  -2.189 -17.647
 1144    HB1  ALA   2           HB1      ALA   2  -3.531  -3.126 -15.666
 1145    HB2  ALA   2           HB2      ALA   2  -2.325  -2.813 -16.915
 1146    HB3  ALA   2           HB3      ALA   2  -2.479  -1.716 -15.541
 1147    H    CYS   3           H        CYS   3  -5.815  -2.566 -15.493
 1148    HA   CYS   3           HA       CYS   3  -7.179  -0.208 -14.688
 1149    HB2  CYS   3           HB2      CYS   3  -7.091  -2.896 -13.303
 1150    HB3  CYS   3           HB3      CYS   3  -8.308  -1.642 -13.083
 1151    HG   CYS   3           HG       CYS   3  -8.921  -4.076 -14.743
 1152    HA   PRO   4           HA       PRO   4  -3.565   1.191 -12.539
 1153    HB2  PRO   4           HB2      PRO   4  -5.572   3.091 -11.437
 1154    HB3  PRO   4           HB3      PRO   4  -3.995   3.429 -12.161
 1155    HG2  PRO   4           HG2      PRO   4  -6.181   3.887 -13.552
 1156    HG3  PRO   4           HG3      PRO   4  -4.803   3.083 -14.335
 1157    HD2  PRO   4           HD2      PRO   4  -7.344   1.892 -13.286
 1158    HD3  PRO   4           HD3      PRO   4  -6.465   1.530 -14.788
 1159    H    LEU   5           H        LEU   5  -6.487   1.629 -10.535
 1160    HA   LEU   5           HA       LEU   5  -5.043   1.179  -8.136
 1161    HB2  LEU   5           HB2      LEU   5  -7.432   2.327  -8.784
 1162    HB3  LEU   5           HB3      LEU   5  -7.961   0.823  -8.056
 1163    HG   LEU   5           HG       LEU   5  -7.892   2.705  -6.456
 1164   HD11  LEU   5          HD11      LEU   5  -5.933   0.495  -5.904
 1165   HD12  LEU   5          HD12      LEU   5  -6.683   1.538  -4.694
 1166   HD13  LEU   5          HD13      LEU   5  -7.677   0.437  -5.651
 1167   HD21  LEU   5          HD21      LEU   5  -4.917   2.599  -6.934
 1168   HD22  LEU   5          HD22      LEU   5  -5.998   3.928  -7.358
 1169   HD23  LEU   5          HD23      LEU   5  -5.724   3.520  -5.663
 1170    H    GLU   6           H        GLU   6  -6.860  -0.906 -10.280
 1171    HA   GLU   6           HA       GLU   6  -7.237  -3.026  -8.438
 1172    HB2  GLU   6           HB2      GLU   6  -8.589  -2.902 -10.461
 1173    HB3  GLU   6           HB3      GLU   6  -7.152  -3.098 -11.457
 1174    HG2  GLU   6           HG2      GLU   6  -6.841  -5.335 -10.713
 1175    HG3  GLU   6           HG3      GLU   6  -8.074  -5.156  -9.468
 1176    H    LYS   7           H        LYS   7  -4.753  -2.401 -10.913
 1177    HA   LYS   7           HA       LYS   7  -3.398  -4.839 -10.478
 1178    HB2  LYS   7           HB2      LYS   7  -2.354  -2.252 -11.647
 1179    HB3  LYS   7           HB3      LYS   7  -1.497  -3.790 -11.698
 1180    HG2  LYS   7           HG2      LYS   7  -4.025  -2.989 -13.108
 1181    HG3  LYS   7           HG3      LYS   7  -2.508  -3.566 -13.798
 1182    HD2  LYS   7           HD2      LYS   7  -4.443  -5.205 -12.158
 1183    HD3  LYS   7           HD3      LYS   7  -4.256  -5.277 -13.909
 1184    HE2  LYS   7           HE2      LYS   7  -2.045  -5.870 -11.955
 1185    HE3  LYS   7           HE3      LYS   7  -3.102  -7.100 -12.641
 1186    HZ1  LYS   7           HZ1      LYS   7  -0.971  -6.870 -13.811
 1187    HZ2  LYS   7           HZ2      LYS   7  -1.388  -5.288 -14.246
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.304  -6.589 -14.819
 1189    H    ALA   8           H        ALA   8  -3.331  -1.775  -8.857
 1190    HA   ALA   8           HA       ALA   8  -0.925  -1.814  -7.533
 1191    HB1  ALA   8           HB1      ALA   8  -2.545   0.010  -7.357
 1192    HB2  ALA   8           HB2      ALA   8  -3.577  -1.006  -6.352
 1193    HB3  ALA   8           HB3      ALA   8  -1.984  -0.521  -5.772
 1194    H    LEU   9           H        LEU   9  -3.935  -3.444  -6.457
 1195    HA   LEU   9           HA       LEU   9  -2.569  -4.661  -4.234
 1196    HB2  LEU   9           HB2      LEU   9  -5.265  -5.474  -5.334
 1197    HB3  LEU   9           HB3      LEU   9  -4.611  -5.838  -3.760
 1198    HG   LEU   9           HG       LEU   9  -6.138  -4.172  -3.298
 1199   HD11  LEU   9          HD11      LEU   9  -3.987  -3.664  -2.322
 1200   HD12  LEU   9          HD12      LEU   9  -3.552  -2.713  -3.742
 1201   HD13  LEU   9          HD13      LEU   9  -4.878  -2.190  -2.704
 1202   HD21  LEU   9          HD21      LEU   9  -6.628  -3.566  -5.634
 1203   HD22  LEU   9          HD22      LEU   9  -6.493  -2.164  -4.572
 1204   HD23  LEU   9          HD23      LEU   9  -5.168  -2.577  -5.657
 1205    H    ASP  10           H        ASP  10  -3.627  -5.648  -7.427
 1206    HA   ASP  10           HA       ASP  10  -3.170  -8.394  -7.273
 1207    HB2  ASP  10           HB2      ASP  10  -4.337  -7.550  -9.162
 1208    HB3  ASP  10           HB3      ASP  10  -3.035  -6.442  -9.571
 1209    H    VAL  11           H        VAL  11  -0.940  -5.794  -8.218
 1210    HA   VAL  11           HA       VAL  11   1.150  -7.624  -8.876
 1211    HB   VAL  11           HB       VAL  11   2.550  -5.720  -9.252
 1212   HG11  VAL  11          HG11      VAL  11  -0.267  -5.104 -10.130
 1213   HG12  VAL  11          HG12      VAL  11   1.214  -4.513 -10.881
 1214   HG13  VAL  11          HG13      VAL  11   0.831  -6.235 -10.923
 1215   HG21  VAL  11          HG21      VAL  11   2.015  -4.425  -7.259
 1216   HG22  VAL  11          HG22      VAL  11   1.844  -3.436  -8.710
 1217   HG23  VAL  11          HG23      VAL  11   0.411  -4.072  -7.901
 1218    H    MET  12           H        MET  12   0.165  -6.050  -5.938
 1219    HA   MET  12           HA       MET  12   2.606  -6.053  -4.558
 1220    HB2  MET  12           HB2      MET  12  -0.197  -6.427  -3.537
 1221    HB3  MET  12           HB3      MET  12   1.203  -6.335  -2.482
 1222    HG2  MET  12           HG2      MET  12   1.577  -4.087  -3.873
 1223    HG3  MET  12           HG3      MET  12  -0.177  -4.220  -4.002
 1224    HE1  MET  12           HE1      MET  12   0.654  -1.824  -2.958
 1225    HE2  MET  12           HE2      MET  12  -0.984  -2.113  -2.316
 1226    HE3  MET  12           HE3      MET  12   0.318  -1.566  -1.242
 1227    H    VAL  13           H        VAL  13   0.182  -8.612  -4.970
 1228    HA   VAL  13           HA       VAL  13   1.881 -10.465  -3.497
 1229    HB   VAL  13           HB       VAL  13   0.085 -12.116  -3.811
 1230   HG11  VAL  13          HG11      VAL  13  -0.842  -9.454  -2.751
 1231   HG12  VAL  13          HG12      VAL  13  -1.595 -11.012  -2.408
 1232   HG13  VAL  13          HG13      VAL  13   0.049 -10.687  -1.858
 1233   HG21  VAL  13          HG21      VAL  13  -1.371  -9.891  -5.228
 1234   HG22  VAL  13          HG22      VAL  13  -0.775 -11.382  -5.962
 1235   HG23  VAL  13          HG23      VAL  13  -2.064 -11.445  -4.758
 1236    H    SER  14           H        SER  14   1.277  -9.556  -6.754
 1237    HA   SER  14           HA       SER  14   2.111 -12.056  -7.908
 1238    HB2  SER  14           HB2      SER  14   1.726  -9.323  -9.155
 1239    HB3  SER  14           HB3      SER  14   2.062 -10.803 -10.056
 1240    HG   SER  14           HG       SER  14  -0.253 -10.059  -8.630
 1241    H    THR  15           H        THR  15   3.551  -8.784  -7.896
 1242    HA   THR  15           HA       THR  15   6.101  -9.633  -8.790
 1243    HB   THR  15           HB       THR  15   5.469  -7.149  -7.173
 1244    HG1  THR  15           HG1      THR  15   5.458  -6.384  -9.593
 1245   HG21  THR  15          HG21      THR  15   7.354  -6.176  -8.355
 1246   HG22  THR  15          HG22      THR  15   7.590  -7.670  -9.260
 1247   HG23  THR  15          HG23      THR  15   7.866  -7.642  -7.519
 1248    H    PHE  16           H        PHE  16   4.516  -9.583  -5.756
 1249    HA   PHE  16           HA       PHE  16   6.427  -9.617  -3.813
 1250    HB2  PHE  16           HB2      PHE  16   3.917  -9.877  -3.613
 1251    HB3  PHE  16           HB3      PHE  16   4.136 -11.576  -3.992
 1252    HD1  PHE  16           HD1      PHE  16   5.977  -9.264  -1.714
 1253    HD2  PHE  16           HD2      PHE  16   3.653 -12.799  -2.139
 1254    HE1  PHE  16           HE1      PHE  16   6.241  -9.723   0.688
 1255    HE2  PHE  16           HE2      PHE  16   3.918 -13.267   0.258
 1256    HZ   PHE  16           HZ       PHE  16   5.213 -11.726   1.676
 1257    H    HIS  17           H        HIS  17   5.129 -12.656  -5.145
 1258    HA   HIS  17           HA       HIS  17   7.316 -14.171  -4.121
 1259    HB2  HIS  17           HB2      HIS  17   6.267 -16.102  -5.185
 1260    HB3  HIS  17           HB3      HIS  17   5.062 -15.140  -4.343
 1261    HD1  HIS  17           HD1      HIS  17   6.126 -16.219  -7.769
 1262    HD2  HIS  17           HD2      HIS  17   3.121 -13.960  -5.987
 1263    HE1  HIS  17           HE1      HIS  17   4.399 -15.856  -9.555
 1264    HE2  HIS  17           HE2      HIS  17   2.681 -14.340  -8.509
 1265    H    LYS  18           H        LYS  18   6.944 -12.322  -6.866
 1266    HA   LYS  18           HA       LYS  18   8.332 -13.795  -8.823
 1267    HB2  LYS  18           HB2      LYS  18   6.889 -11.917  -9.353
 1268    HB3  LYS  18           HB3      LYS  18   7.924 -10.825  -8.452
 1269    HG2  LYS  18           HG2      LYS  18   9.711 -11.179 -10.082
 1270    HG3  LYS  18           HG3      LYS  18   8.658 -12.273 -10.989
 1271    HD2  LYS  18           HD2      LYS  18   7.078 -10.484 -11.382
 1272    HD3  LYS  18           HD3      LYS  18   8.023  -9.388 -10.376
 1273    HE2  LYS  18           HE2      LYS  18   9.878  -9.537 -11.956
 1274    HE3  LYS  18           HE3      LYS  18   8.940 -10.644 -12.958
 1275    HZ1  LYS  18           HZ1      LYS  18   8.840  -8.380 -13.801
 1276    HZ2  LYS  18           HZ2      LYS  18   8.198  -7.832 -12.332
 1277    HZ3  LYS  18           HZ3      LYS  18   7.309  -8.900 -13.301
 1278    H    TYR  19           H        TYR  19   9.419 -11.699  -6.211
 1279    HA   TYR  19           HA       TYR  19  12.197 -12.190  -7.083
 1280    HB2  TYR  19           HB2      TYR  19  11.031  -9.765  -5.714
 1281    HB3  TYR  19           HB3      TYR  19  12.762 -10.062  -5.840
 1282    HD1  TYR  19           HD1      TYR  19  13.829 -10.147  -8.095
 1283    HD2  TYR  19           HD2      TYR  19   9.799  -8.900  -7.553
 1284    HE1  TYR  19           HE1      TYR  19  13.852  -9.124 -10.330
 1285    HE2  TYR  19           HE2      TYR  19   9.810  -7.874  -9.787
 1286    HH   TYR  19           HH       TYR  19  12.219  -8.504 -12.080
 1287    H    SER  20           H        SER  20   9.951 -12.336  -4.430
 1288    HA   SER  20           HA       SER  20  11.867 -12.593  -2.354
 1289    HB2  SER  20           HB2      SER  20   9.926 -13.565  -1.083
 1290    HB3  SER  20           HB3      SER  20   9.603 -11.991  -1.813
 1291    HG   SER  20           HG       SER  20   7.900 -13.430  -2.223
 1292    H    GLY  21           H        GLY  21  10.072 -14.949  -4.299
 1293    HA2  GLY  21           HA2      GLY  21  11.233 -17.211  -2.967
 1294    HA3  GLY  21           HA3      GLY  21  10.215 -17.248  -4.397
 1295    H    LYS  22           H        LYS  22  13.181 -15.388  -4.117
 1296    HA   LYS  22           HA       LYS  22  14.364 -17.119  -6.173
 1297    HB2  LYS  22           HB2      LYS  22  14.843 -14.229  -5.456
 1298    HB3  LYS  22           HB3      LYS  22  15.956 -15.137  -6.473
 1299    HG2  LYS  22           HG2      LYS  22  14.017 -15.600  -7.996
 1300    HG3  LYS  22           HG3      LYS  22  13.080 -14.460  -7.028
 1301    HD2  LYS  22           HD2      LYS  22  13.986 -13.333  -8.974
 1302    HD3  LYS  22           HD3      LYS  22  14.760 -12.715  -7.513
 1303    HE2  LYS  22           HE2      LYS  22  16.682 -14.177  -7.917
 1304    HE3  LYS  22           HE3      LYS  22  15.908 -14.792  -9.375
 1305    HZ1  LYS  22           HZ1      LYS  22  16.804 -11.998  -8.892
 1306    HZ2  LYS  22           HZ2      LYS  22  15.967 -12.518 -10.271
 1307    HZ3  LYS  22           HZ3      LYS  22  17.516 -13.122  -9.944
 1308    H    GLU  23           H        GLU  23  15.439 -15.140  -3.384
 1309    HA   GLU  23           HA       GLU  23  17.392 -17.280  -2.805
 1310    HB2  GLU  23           HB2      GLU  23  17.448 -14.340  -2.132
 1311    HB3  GLU  23           HB3      GLU  23  18.563 -15.507  -1.438
 1312    HG2  GLU  23           HG2      GLU  23  19.340 -16.068  -3.708
 1313    HG3  GLU  23           HG3      GLU  23  18.276 -14.818  -4.352
 1314    H    GLY  24           H        GLY  24  14.433 -16.194  -1.808
 1315    HA2  GLY  24           HA2      GLY  24  14.836 -17.420   0.825
 1316    HA3  GLY  24           HA3      GLY  24  14.148 -15.803   0.762
 1317    H    ASP  25           H        ASP  25  12.307 -16.747   1.846
 1318    HA   ASP  25           HA       ASP  25  10.635 -18.639   0.502
 1319    HB2  ASP  25           HB2      ASP  25  10.020 -16.675   2.724
 1320    HB3  ASP  25           HB3      ASP  25   8.901 -17.907   2.148
 1321    H    LYS  26           H        LYS  26   8.548 -18.169  -0.462
 1322    HA   LYS  26           HA       LYS  26   8.767 -15.958  -2.269
 1323    HB2  LYS  26           HB2      LYS  26   6.719 -16.776  -3.242
 1324    HB3  LYS  26           HB3      LYS  26   7.796 -18.127  -2.916
 1325    HG2  LYS  26           HG2      LYS  26   6.522 -18.501  -0.789
 1326    HG3  LYS  26           HG3      LYS  26   5.357 -17.307  -1.366
 1327    HD2  LYS  26           HD2      LYS  26   6.155 -19.788  -2.845
 1328    HD3  LYS  26           HD3      LYS  26   4.714 -19.640  -1.842
 1329    HE2  LYS  26           HE2      LYS  26   3.858 -17.887  -3.292
 1330    HE3  LYS  26           HE3      LYS  26   5.326 -17.951  -4.265
 1331    HZ1  LYS  26           HZ1      LYS  26   4.775 -20.231  -4.864
 1332    HZ2  LYS  26           HZ2      LYS  26   3.553 -19.156  -5.327
 1333    HZ3  LYS  26           HZ3      LYS  26   3.341 -20.140  -3.962
 1334    H    PHE  27           H        PHE  27   7.653 -16.147   0.843
 1335    HA   PHE  27           HA       PHE  27   6.071 -13.684   0.477
 1336    HB2  PHE  27           HB2      PHE  27   5.140 -14.273   2.794
 1337    HB3  PHE  27           HB3      PHE  27   4.589 -15.257   1.444
 1338    HD1  PHE  27           HD2      PHE  27   7.117 -15.204   4.179
 1339    HD2  PHE  27           HD1      PHE  27   4.728 -17.555   1.556
 1340    HE1  PHE  27           HE2      PHE  27   7.819 -17.241   5.370
 1341    HE2  PHE  27           HE1      PHE  27   5.425 -19.594   2.741
 1342    HZ   PHE  27           HZ       PHE  27   6.973 -19.437   4.651
 1343    H    LYS  28           H        LYS  28   9.021 -14.558   0.987
 1344    HA   LYS  28           HA       LYS  28   9.480 -12.525   3.099
 1345    HB2  LYS  28           HB2      LYS  28  10.182 -15.217   3.176
 1346    HB3  LYS  28           HB3      LYS  28  11.668 -14.397   2.725
 1347    HG2  LYS  28           HG2      LYS  28  11.573 -14.646   5.109
 1348    HG3  LYS  28           HG3      LYS  28  11.427 -12.937   4.690
 1349    HD2  LYS  28           HD2      LYS  28   9.202 -12.846   5.263
 1350    HD3  LYS  28           HD3      LYS  28   8.964 -14.585   5.046
 1351    HE2  LYS  28           HE2      LYS  28  10.380 -13.175   7.301
 1352    HE3  LYS  28           HE3      LYS  28   8.885 -14.106   7.384
 1353    HZ1  LYS  28           HZ1      LYS  28  10.216 -16.080   6.693
 1354    HZ2  LYS  28           HZ2      LYS  28  10.627 -15.464   8.215
 1355    HZ3  LYS  28           HZ3      LYS  28  11.622 -15.145   6.877
 1356    H    LEU  29           H        LEU  29  10.362 -10.750   2.228
 1357    HA   LEU  29           HA       LEU  29  12.328 -11.152   0.075
 1358    HB2  LEU  29           HB2      LEU  29  10.609  -8.772   0.722
 1359    HB3  LEU  29           HB3      LEU  29  12.031  -8.638  -0.292
 1360    HG   LEU  29           HG       LEU  29  10.809 -10.620  -1.595
 1361   HD11  LEU  29          HD11      LEU  29   8.575  -9.047  -0.343
 1362   HD12  LEU  29          HD12      LEU  29   8.403 -10.191  -1.674
 1363   HD13  LEU  29          HD13      LEU  29   8.927 -10.757  -0.086
 1364   HD21  LEU  29          HD21      LEU  29   9.909  -8.923  -3.109
 1365   HD22  LEU  29          HD22      LEU  29  10.147  -7.694  -1.868
 1366   HD23  LEU  29          HD23      LEU  29  11.539  -8.517  -2.569
 1367    H    ASN  30           H        ASN  30  14.230 -11.396   1.060
 1368    HA   ASN  30           HA       ASN  30  15.014  -9.700   3.253
 1369    HB2  ASN  30           HB2      ASN  30  17.090 -10.860   3.260
 1370    HB3  ASN  30           HB3      ASN  30  15.876 -12.076   2.880
 1371   HD21  ASN  30          HD21      ASN  30  15.882 -13.036   0.881
 1372   HD22  ASN  30          HD22      ASN  30  17.131 -12.784  -0.281
 1373    H    LYS  31           H        LYS  31  17.492  -8.832   2.732
 1374    HA   LYS  31           HA       LYS  31  17.191  -6.432   1.495
 1375    HB2  LYS  31           HB2      LYS  31  19.711  -8.091   1.645
 1376    HB3  LYS  31           HB3      LYS  31  19.667  -6.377   1.262
 1377    HG2  LYS  31           HG2      LYS  31  18.760  -5.893   3.461
 1378    HG3  LYS  31           HG3      LYS  31  18.751  -7.616   3.847
 1379    HD2  LYS  31           HD2      LYS  31  21.159  -7.710   3.638
 1380    HD3  LYS  31           HD3      LYS  31  21.208  -6.020   3.133
 1381    HE2  LYS  31           HE2      LYS  31  20.333  -5.343   5.307
 1382    HE3  LYS  31           HE3      LYS  31  20.260  -7.031   5.810
 1383    HZ1  LYS  31           HZ1      LYS  31  22.243  -5.856   6.625
 1384    HZ2  LYS  31           HZ2      LYS  31  22.754  -5.625   5.022
 1385    HZ3  LYS  31           HZ3      LYS  31  22.630  -7.191   5.655
 1386    H    SER  32           H        SER  32  18.489  -9.384  -0.011
 1387    HA   SER  32           HA       SER  32  19.174  -8.171  -2.463
 1388    HB2  SER  32           HB2      SER  32  20.145 -10.295  -1.619
 1389    HB3  SER  32           HB3      SER  32  18.599 -11.091  -1.916
 1390    HG   SER  32           HG       SER  32  19.672 -11.488  -3.738
 1391    H    GLU  33           H        GLU  33  16.281  -9.892  -1.389
 1392    HA   GLU  33           HA       GLU  33  15.114 -10.135  -3.963
 1393    HB2  GLU  33           HB2      GLU  33  13.463 -10.007  -1.458
 1394    HB3  GLU  33           HB3      GLU  33  13.205 -10.976  -2.899
 1395    HG2  GLU  33           HG2      GLU  33  15.217 -11.430  -0.715
 1396    HG3  GLU  33           HG3      GLU  33  13.824 -12.424  -1.125
 1397    H    LEU  34           H        LEU  34  14.681  -7.877  -1.278
 1398    HA   LEU  34           HA       LEU  34  12.709  -6.294  -2.521
 1399    HB2  LEU  34           HB2      LEU  34  14.567  -5.927  -0.223
 1400    HB3  LEU  34           HB3      LEU  34  13.728  -4.528  -0.860
 1401    HG   LEU  34           HG       LEU  34  12.319  -7.020   0.070
 1402   HD11  LEU  34          HD11      LEU  34  11.729  -5.696   2.060
 1403   HD12  LEU  34          HD12      LEU  34  13.462  -6.015   1.950
 1404   HD13  LEU  34          HD13      LEU  34  12.828  -4.427   1.517
 1405   HD21  LEU  34          HD21      LEU  34  11.064  -5.728  -1.539
 1406   HD22  LEU  34          HD22      LEU  34  10.362  -5.521   0.067
 1407   HD23  LEU  34          HD23      LEU  34  11.367  -4.246  -0.629
 1408    H    LYS  35           H        LYS  35  16.246  -6.097  -2.517
 1409    HA   LYS  35           HA       LYS  35  16.410  -3.596  -3.758
 1410    HB2  LYS  35           HB2      LYS  35  18.332  -4.874  -2.703
 1411    HB3  LYS  35           HB3      LYS  35  18.413  -5.807  -4.195
 1412    HG2  LYS  35           HG2      LYS  35  19.069  -3.966  -5.460
 1413    HG3  LYS  35           HG3      LYS  35  18.496  -2.816  -4.252
 1414    HD2  LYS  35           HD2      LYS  35  20.843  -2.774  -4.105
 1415    HD3  LYS  35           HD3      LYS  35  20.301  -3.734  -2.728
 1416    HE2  LYS  35           HE2      LYS  35  20.778  -5.785  -3.986
 1417    HE3  LYS  35           HE3      LYS  35  21.334  -4.807  -5.344
 1418    HZ1  LYS  35           HZ1      LYS  35  22.547  -4.742  -2.634
 1419    HZ2  LYS  35           HZ2      LYS  35  23.115  -3.958  -4.024
 1420    HZ3  LYS  35           HZ3      LYS  35  23.151  -5.652  -3.931
 1421    H    GLU  36           H        GLU  36  16.425  -6.864  -5.218
 1422    HA   GLU  36           HA       GLU  36  16.454  -5.943  -7.876
 1423    HB2  GLU  36           HB2      GLU  36  15.904  -8.482  -6.543
 1424    HB3  GLU  36           HB3      GLU  36  14.978  -8.237  -8.016
 1425    HG2  GLU  36           HG2      GLU  36  17.143  -7.659  -9.147
 1426    HG3  GLU  36           HG3      GLU  36  17.957  -8.247  -7.702
 1427    H    LEU  37           H        LEU  37  13.785  -6.596  -5.661
 1428    HA   LEU  37           HA       LEU  37  11.596  -6.185  -7.289
 1429    HB2  LEU  37           HB2      LEU  37  11.674  -6.748  -4.807
 1430    HB3  LEU  37           HB3      LEU  37  11.887  -5.030  -4.522
 1431    HG   LEU  37           HG       LEU  37   9.672  -4.857  -5.948
 1432   HD11  LEU  37          HD11      LEU  37   9.584  -7.255  -6.446
 1433   HD12  LEU  37          HD12      LEU  37   9.459  -7.603  -4.718
 1434   HD13  LEU  37          HD13      LEU  37   8.172  -6.716  -5.538
 1435   HD21  LEU  37          HD21      LEU  37   9.958  -4.063  -3.666
 1436   HD22  LEU  37          HD22      LEU  37   8.410  -4.887  -3.856
 1437   HD23  LEU  37          HD23      LEU  37   9.754  -5.706  -3.057
 1438    H    LEU  38           H        LEU  38  13.267  -3.723  -5.347
 1439    HA   LEU  38           HA       LEU  38  11.811  -1.566  -6.468
 1440    HB2  LEU  38           HB2      LEU  38  14.220  -1.754  -4.696
 1441    HB3  LEU  38           HB3      LEU  38  13.683  -0.202  -5.318
 1442    HG   LEU  38           HG       LEU  38  11.405  -1.461  -4.209
 1443   HD11  LEU  38          HD11      LEU  38  12.836  -2.960  -2.973
 1444   HD12  LEU  38          HD12      LEU  38  13.812  -1.605  -2.400
 1445   HD13  LEU  38          HD13      LEU  38  12.135  -1.768  -1.875
 1446   HD21  LEU  38          HD21      LEU  38  11.824   0.939  -4.323
 1447   HD22  LEU  38          HD22      LEU  38  11.484   0.437  -2.668
 1448   HD23  LEU  38          HD23      LEU  38  13.142   0.773  -3.163
 1449    H    THR  39           H        THR  39  15.046  -2.881  -7.158
 1450    HA   THR  39           HA       THR  39  15.912  -0.756  -8.786
 1451    HB   THR  39           HB       THR  39  17.464  -2.433  -9.833
 1452    HG1  THR  39           HG1      THR  39  16.448  -4.245  -7.902
 1453   HG21  THR  39          HG21      THR  39  17.340  -2.452  -6.827
 1454   HG22  THR  39          HG22      THR  39  18.090  -1.197  -7.818
 1455   HG23  THR  39          HG23      THR  39  18.754  -2.833  -7.807
 1456    H    ARG  40           H        ARG  40  13.939  -3.553  -9.479
 1457    HA   ARG  40           HA       ARG  40  14.068  -3.124 -12.332
 1458    HB2  ARG  40           HB2      ARG  40  12.585  -5.086 -10.606
 1459    HB3  ARG  40           HB3      ARG  40  12.421  -5.043 -12.359
 1460    HG2  ARG  40           HG2      ARG  40  14.929  -5.595 -10.786
 1461    HG3  ARG  40           HG3      ARG  40  13.979  -6.763 -11.706
 1462    HD2  ARG  40           HD2      ARG  40  15.533  -4.423 -12.792
 1463    HD3  ARG  40           HD3      ARG  40  15.922  -6.132 -12.974
 1464    HE   ARG  40           HE       ARG  40  13.390  -5.114 -14.070
 1465   HH11  ARG  40          HH12      ARG  40  16.573  -6.497 -14.565
 1466   HH12  ARG  40          HH11      ARG  40  16.319  -6.799 -16.254
 1467   HH21  ARG  40          HH22      ARG  40  13.051  -5.507 -16.291
 1468   HH22  ARG  40          HH21      ARG  40  14.315  -6.234 -17.241
 1469    H    GLU  41           H        GLU  41  11.387  -3.220  -9.947
 1470    HA   GLU  41           HA       GLU  41   9.766  -1.856 -11.966
 1471    HB2  GLU  41           HB2      GLU  41   9.129  -3.769  -9.786
 1472    HB3  GLU  41           HB3      GLU  41   7.888  -2.617 -10.270
 1473    HG2  GLU  41           HG2      GLU  41   7.885  -3.425 -12.504
 1474    HG3  GLU  41           HG3      GLU  41   9.331  -4.395 -12.216
 1475    H    LEU  42           H        LEU  42  11.372  -1.059  -9.088
 1476    HA   LEU  42           HA       LEU  42   9.576   1.277  -8.818
 1477    HB2  LEU  42           HB2      LEU  42  11.061  -0.111  -6.585
 1478    HB3  LEU  42           HB3      LEU  42  10.130   1.360  -6.418
 1479    HG   LEU  42           HG       LEU  42   8.149  -0.107  -7.281
 1480   HD11  LEU  42          HD11      LEU  42   9.447  -2.059  -7.867
 1481   HD12  LEU  42          HD12      LEU  42  10.041  -2.186  -6.209
 1482   HD13  LEU  42          HD13      LEU  42   8.327  -2.434  -6.557
 1483   HD21  LEU  42          HD21      LEU  42   9.309  -0.409  -4.515
 1484   HD22  LEU  42          HD22      LEU  42   8.282   0.910  -5.076
 1485   HD23  LEU  42          HD23      LEU  42   7.636  -0.726  -4.973
 1486    HA   PRO  43           HA       PRO  43  14.270   2.233  -9.082
 1487    HB2  PRO  43           HB2      PRO  43  14.063   3.228 -11.775
 1488    HB3  PRO  43           HB3      PRO  43  15.070   1.919 -11.168
 1489    HG2  PRO  43           HG2      PRO  43  12.951   1.545 -12.857
 1490    HG3  PRO  43           HG3      PRO  43  13.546   0.315 -11.729
 1491    HD2  PRO  43           HD2      PRO  43  11.184   2.125 -11.490
 1492    HD3  PRO  43           HD3      PRO  43  11.366   0.432 -10.985
 1493    H    SER  44           H        SER  44  11.433   3.882 -10.185
 1494    HA   SER  44           HA       SER  44  12.454   6.529 -10.154
 1495    HB2  SER  44           HB2      SER  44   9.599   5.623  -9.723
 1496    HB3  SER  44           HB3      SER  44  10.135   7.207 -10.286
 1497    HG   SER  44           HG       SER  44   9.486   5.195 -11.783
 1498    H    PHE  45           H        PHE  45  10.931   4.440  -7.777
 1499    HA   PHE  45           HA       PHE  45  10.758   6.501  -5.755
 1500    HB2  PHE  45           HB2      PHE  45  10.350   3.537  -5.335
 1501    HB3  PHE  45           HB3      PHE  45   9.663   4.873  -4.423
 1502    HD1  PHE  45           HD2      PHE  45   7.929   6.329  -5.551
 1503    HD2  PHE  45           HD1      PHE  45   9.237   2.607  -7.136
 1504    HE1  PHE  45           HE2      PHE  45   5.897   6.204  -6.928
 1505    HE2  PHE  45           HE1      PHE  45   7.211   2.475  -8.517
 1506    HZ   PHE  45           HZ       PHE  45   5.537   4.268  -8.414
 1507    H    LEU  46           H        LEU  46  13.404   5.405  -6.897
 1508    HA   LEU  46           HA       LEU  46  14.567   4.536  -4.369
 1509    HB2  LEU  46           HB2      LEU  46  15.880   4.876  -7.068
 1510    HB3  LEU  46           HB3      LEU  46  16.622   4.168  -5.644
 1511    HG   LEU  46           HG       LEU  46  14.398   3.036  -7.331
 1512   HD11  LEU  46          HD11      LEU  46  17.112   1.995  -6.537
 1513   HD12  LEU  46          HD12      LEU  46  15.918   1.114  -7.493
 1514   HD13  LEU  46          HD13      LEU  46  16.639   2.596  -8.126
 1515   HD21  LEU  46          HD21      LEU  46  14.303   1.174  -5.694
 1516   HD22  LEU  46          HD22      LEU  46  15.318   2.123  -4.614
 1517   HD23  LEU  46          HD23      LEU  46  13.711   2.705  -5.048
 1518    H    GLY  47           H        GLY  47  14.266   7.286  -6.402
 1519    HA2  GLY  47           HA2      GLY  47  14.900   9.472  -6.214
 1520    HA3  GLY  47           HA3      GLY  47  15.202   9.149  -4.521
 1521    H    LYS  48           H        LYS  48  17.252   7.215  -4.927
 1522    HA   LYS  48           HA       LYS  48  19.331   8.679  -6.406
 1523    HB2  LYS  48           HB2      LYS  48  19.704   9.167  -4.058
 1524    HB3  LYS  48           HB3      LYS  48  19.538   7.469  -3.636
 1525    HG2  LYS  48           HG2      LYS  48  21.576   7.098  -5.151
 1526    HG3  LYS  48           HG3      LYS  48  21.803   8.845  -5.027
 1527    HD2  LYS  48           HD2      LYS  48  21.965   8.697  -2.625
 1528    HD3  LYS  48           HD3      LYS  48  21.578   6.976  -2.668
 1529    HE2  LYS  48           HE2      LYS  48  23.644   6.645  -4.051
 1530    HE3  LYS  48           HE3      LYS  48  24.049   8.331  -3.732
 1531    HZ1  LYS  48           HZ1      LYS  48  25.177   6.885  -2.190
 1532    HZ2  LYS  48           HZ2      LYS  48  23.713   6.189  -1.698
 1533    HZ3  LYS  48           HZ3      LYS  48  24.038   7.822  -1.350
 1534    H    ARG  49           H        ARG  49  19.390   5.770  -4.437
 1535    HA   ARG  49           HA       ARG  49  19.084   3.768  -6.276
 1536    HB2  ARG  49           HB2      ARG  49  21.084   4.927  -7.389
 1537    HB3  ARG  49           HB3      ARG  49  22.036   4.366  -6.023
 1538    HG2  ARG  49           HG2      ARG  49  22.182   2.919  -8.042
 1539    HG3  ARG  49           HG3      ARG  49  21.632   2.079  -6.587
 1540    HD2  ARG  49           HD2      ARG  49  19.353   2.189  -7.315
 1541    HD3  ARG  49           HD3      ARG  49  19.787   3.206  -8.686
 1542    HE   ARG  49           HE       ARG  49  20.991   0.555  -8.577
 1543   HH11  ARG  49          HH12      ARG  49  18.526   2.671  -9.901
 1544   HH12  ARG  49          HH11      ARG  49  18.137   1.597 -11.221
 1545   HH21  ARG  49          HH22      ARG  49  20.486  -0.850 -10.308
 1546   HH22  ARG  49          HH21      ARG  49  19.255  -0.390 -11.454
 1547    H    THR  50           H        THR  50  19.728   1.706  -5.397
 1548    HA   THR  50           HA       THR  50  19.683   1.749  -2.536
 1549    HB   THR  50           HB       THR  50  19.689  -0.780  -2.868
 1550    HG1  THR  50           HG1      THR  50  20.630  -0.585  -5.043
 1551   HG21  THR  50          HG21      THR  50  17.533   0.850  -4.218
 1552   HG22  THR  50          HG22      THR  50  17.644   0.521  -2.490
 1553   HG23  THR  50          HG23      THR  50  17.358  -0.801  -3.621
 1554    H    ASP  51           H        ASP  51  21.611   2.356  -1.649
 1555    HA   ASP  51           HA       ASP  51  24.128   1.312  -2.566
 1556    HB2  ASP  51           HB2      ASP  51  23.587   2.605   0.113
 1557    HB3  ASP  51           HB3      ASP  51  25.134   2.448  -0.703
 1558    H    GLU  52           H        GLU  52  25.597   0.313  -0.794
 1559    HA   GLU  52           HA       GLU  52  24.262  -2.066   0.156
 1560    HB2  GLU  52           HB2      GLU  52  26.504  -2.164  -0.888
 1561    HB3  GLU  52           HB3      GLU  52  27.147  -1.217   0.449
 1562    HG2  GLU  52           HG2      GLU  52  27.608  -3.587   0.721
 1563    HG3  GLU  52           HG3      GLU  52  26.569  -2.967   2.003
 1564    H    ALA  53           H        ALA  53  26.101   0.626   1.613
 1565    HA   ALA  53           HA       ALA  53  25.601  -0.238   4.295
 1566    HB1  ALA  53           HB1      ALA  53  27.553   1.124   3.713
 1567    HB2  ALA  53           HB2      ALA  53  26.490   2.468   3.293
 1568    HB3  ALA  53           HB3      ALA  53  26.574   1.897   4.959
 1569    H    ALA  54           H        ALA  54  23.761   1.438   1.985
 1570    HA   ALA  54           HA       ALA  54  21.978   2.612   3.962
 1571    HB1  ALA  54           HB1      ALA  54  22.362   3.847   1.909
 1572    HB2  ALA  54           HB2      ALA  54  21.759   2.469   0.974
 1573    HB3  ALA  54           HB3      ALA  54  20.667   3.350   2.050
 1574    H    PHE  55           H        PHE  55  22.208  -0.190   1.900
 1575    HA   PHE  55           HA       PHE  55  19.456  -0.862   2.135
 1576    HB2  PHE  55           HB2      PHE  55  21.380  -1.746   0.466
 1577    HB3  PHE  55           HB3      PHE  55  21.305  -3.094   1.607
 1578    HD1  PHE  55           HD2      PHE  55  18.972  -4.017   2.157
 1579    HD2  PHE  55           HD1      PHE  55  19.811  -1.585  -1.229
 1580    HE1  PHE  55           HE2      PHE  55  16.896  -4.790   1.094
 1581    HE2  PHE  55           HE1      PHE  55  17.727  -2.341  -2.291
 1582    HZ   PHE  55           HZ       PHE  55  16.270  -3.951  -1.131
 1583    H    GLN  56           H        GLN  56  22.303  -1.642   4.062
 1584    HA   GLN  56           HA       GLN  56  21.027  -3.496   5.764
 1585    HB2  GLN  56           HB2      GLN  56  22.712  -2.859   7.457
 1586    HB3  GLN  56           HB3      GLN  56  23.433  -3.180   5.889
 1587    HG2  GLN  56           HG2      GLN  56  23.769  -0.874   5.475
 1588    HG3  GLN  56           HG3      GLN  56  22.794  -0.417   6.871
 1589   HE21  GLN  56          HE21      GLN  56  25.842  -1.756   5.810
 1590   HE22  GLN  56          HE22      GLN  56  26.682  -1.510   7.305
 1591    H    LYS  57           H        LYS  57  20.969  -0.034   5.523
 1592    HA   LYS  57           HA       LYS  57  19.357   0.440   7.828
 1593    HB2  LYS  57           HB2      LYS  57  19.814   2.076   5.310
 1594    HB3  LYS  57           HB3      LYS  57  18.889   2.637   6.702
 1595    HG2  LYS  57           HG2      LYS  57  20.838   2.574   8.097
 1596    HG3  LYS  57           HG3      LYS  57  21.782   1.823   6.810
 1597    HD2  LYS  57           HD2      LYS  57  21.604   3.796   5.452
 1598    HD3  LYS  57           HD3      LYS  57  20.492   4.553   6.603
 1599    HE2  LYS  57           HE2      LYS  57  23.373   3.805   7.139
 1600    HE3  LYS  57           HE3      LYS  57  22.780   5.431   6.799
 1601    HZ1  LYS  57           HZ1      LYS  57  21.439   5.325   8.807
 1602    HZ2  LYS  57           HZ2      LYS  57  23.079   5.081   9.163
 1603    HZ3  LYS  57           HZ3      LYS  57  22.014   3.761   9.138
 1604    H    LEU  58           H        LEU  58  18.715   0.172   4.354
 1605    HA   LEU  58           HA       LEU  58  16.006   0.684   4.326
 1606    HB2  LEU  58           HB2      LEU  58  17.440   0.460   2.321
 1607    HB3  LEU  58           HB3      LEU  58  17.467  -1.279   2.559
 1608    HG   LEU  58           HG       LEU  58  15.020  -1.351   2.245
 1609   HD11  LEU  58          HD11      LEU  58  13.798   0.558   1.584
 1610   HD12  LEU  58          HD12      LEU  58  14.684   0.996   3.042
 1611   HD13  LEU  58          HD13      LEU  58  15.257   1.542   1.461
 1612   HD21  LEU  58          HD21      LEU  58  16.533  -1.653   0.318
 1613   HD22  LEU  58          HD22      LEU  58  14.979  -0.938  -0.127
 1614   HD23  LEU  58          HD23      LEU  58  16.418   0.078  -0.007
 1615    H    MET  59           H        MET  59  17.447  -2.556   4.263
 1616    HA   MET  59           HA       MET  59  15.157  -4.049   4.546
 1617    HB2  MET  59           HB2      MET  59  17.132  -5.205   4.056
 1618    HB3  MET  59           HB3      MET  59  17.991  -4.503   5.416
 1619    HG2  MET  59           HG2      MET  59  17.436  -6.919   5.639
 1620    HG3  MET  59           HG3      MET  59  16.874  -5.902   6.962
 1621    HE1  MET  59           HE1      MET  59  14.828  -5.887   3.507
 1622    HE2  MET  59           HE2      MET  59  15.885  -7.309   3.514
 1623    HE3  MET  59           HE3      MET  59  14.131  -7.510   3.635
 1624    H    SER  60           H        SER  60  17.135  -2.642   7.127
 1625    HA   SER  60           HA       SER  60  15.444  -3.826   9.146
 1626    HB2  SER  60           HB2      SER  60  17.885  -3.698   9.418
 1627    HB3  SER  60           HB3      SER  60  17.787  -1.938   9.422
 1628    HG   SER  60           HG       SER  60  16.079  -2.711  11.231
 1629    H    ASN  61           H        ASN  61  15.208  -1.130   7.233
 1630    HA   ASN  61           HA       ASN  61  13.841   0.496   9.228
 1631    HB2  ASN  61           HB2      ASN  61  14.735   0.941   6.425
 1632    HB3  ASN  61           HB3      ASN  61  13.347   1.853   7.005
 1633   HD21  ASN  61          HD21      ASN  61  14.439   3.804   6.914
 1634   HD22  ASN  61          HD22      ASN  61  15.666   4.226   8.063
 1635    H    LEU  62           H        LEU  62  13.224  -1.608   6.525
 1636    HA   LEU  62           HA       LEU  62  10.369  -1.303   6.762
 1637    HB2  LEU  62           HB2      LEU  62  12.183  -3.096   5.200
 1638    HB3  LEU  62           HB3      LEU  62  10.494  -3.526   5.383
 1639    HG   LEU  62           HG       LEU  62  10.691  -2.419   3.315
 1640   HD11  LEU  62          HD11      LEU  62   8.744  -1.797   4.662
 1641   HD12  LEU  62          HD12      LEU  62   9.646  -0.422   5.319
 1642   HD13  LEU  62          HD13      LEU  62   9.252  -0.487   3.598
 1643   HD21  LEU  62          HD21      LEU  62  12.851  -1.362   3.641
 1644   HD22  LEU  62          HD22      LEU  62  11.665  -0.202   3.042
 1645   HD23  LEU  62          HD23      LEU  62  12.124  -0.193   4.745
 1646    H    ASP  63           H        ASP  63  12.509  -4.088   7.156
 1647    HA   ASP  63           HA       ASP  63  10.650  -5.619   8.606
 1648    HB2  ASP  63           HB2      ASP  63  12.504  -6.594   7.331
 1649    HB3  ASP  63           HB3      ASP  63  13.657  -5.868   8.439
 1650    H    SER  64           H        SER  64   9.859  -4.817  10.434
 1651    HA   SER  64           HA       SER  64  11.606  -3.573  12.388
 1652    HB2  SER  64           HB2      SER  64   8.638  -4.153  12.541
 1653    HB3  SER  64           HB3      SER  64   9.557  -3.078  13.599
 1654    HG   SER  64           HG       SER  64   8.982  -2.767  10.839
 1655    H    ASN  65           H        ASN  65  10.602  -6.680  11.605
 1656    HA   ASN  65           HA       ASN  65  10.708  -7.785  14.277
 1657    HB2  ASN  65           HB2      ASN  65   9.385  -8.882  12.495
 1658    HB3  ASN  65           HB3      ASN  65  10.859  -9.154  11.573
 1659   HD21  ASN  65          HD21      ASN  65  10.679 -11.354  11.555
 1660   HD22  ASN  65          HD22      ASN  65  10.874 -12.338  12.967
 1661    H    ARG  66           H        ARG  66  12.856  -6.915  11.777
 1662    HA   ARG  66           HA       ARG  66  15.100  -6.848  11.590
 1663    HB2  ARG  66           HB2      ARG  66  14.974  -7.358  14.564
 1664    HB3  ARG  66           HB3      ARG  66  16.438  -6.910  13.692
 1665    HG2  ARG  66           HG2      ARG  66  15.431  -4.809  13.028
 1666    HG3  ARG  66           HG3      ARG  66  13.922  -5.261  13.821
 1667    HD2  ARG  66           HD2      ARG  66  15.050  -5.294  15.977
 1668    HD3  ARG  66           HD3      ARG  66  16.580  -4.890  15.195
 1669    HE   ARG  66           HE       ARG  66  14.803  -2.910  14.455
 1670   HH11  ARG  66          HH12      ARG  66  16.078  -4.151  17.483
 1671   HH12  ARG  66          HH11      ARG  66  16.012  -2.604  18.278
 1672   HH21  ARG  66          HH22      ARG  66  14.710  -0.890  15.522
 1673   HH22  ARG  66          HH21      ARG  66  15.238  -0.766  17.171
 1674    H    ASP  67           H        ASP  67  14.158  -9.031  10.600
 1675    HA   ASP  67           HA       ASP  67  15.914 -11.209  11.568
 1676    HB2  ASP  67           HB2      ASP  67  13.309 -11.495  11.339
 1677    HB3  ASP  67           HB3      ASP  67  13.660 -11.613   9.616
 1678    H    ASN  68           H        ASN  68  15.134  -8.957   9.164
 1679    HA   ASN  68           HA       ASN  68  16.359  -8.155   7.437
 1680    HB2  ASN  68           HB2      ASN  68  18.184 -10.456   8.090
 1681    HB3  ASN  68           HB3      ASN  68  18.426  -9.475   6.648
 1682   HD21  ASN  68          HD21      ASN  68  17.167  -8.166   9.632
 1683   HD22  ASN  68          HD22      ASN  68  18.552  -7.199  10.023
 1684    H    GLU  69           H        GLU  69  14.101  -9.800   7.290
 1685    HA   GLU  69           HA       GLU  69  14.058 -10.158   4.485
 1686    HB2  GLU  69           HB2      GLU  69  13.167 -12.553   4.640
 1687    HB3  GLU  69           HB3      GLU  69  14.904 -12.328   4.768
 1688    HG2  GLU  69           HG2      GLU  69  14.749 -12.543   7.196
 1689    HG3  GLU  69           HG3      GLU  69  13.004 -12.772   7.060
 1690    H    VAL  70           H        VAL  70  12.320  -9.051   4.108
 1691    HA   VAL  70           HA       VAL  70  10.475  -8.403   6.153
 1692    HB   VAL  70           HB       VAL  70  10.782  -7.667   3.269
 1693   HG11  VAL  70          HG11      VAL  70   8.861  -6.174   3.428
 1694   HG12  VAL  70          HG12      VAL  70   8.370  -7.861   3.580
 1695   HG13  VAL  70          HG13      VAL  70   8.470  -6.839   5.014
 1696   HG21  VAL  70          HG21      VAL  70  11.035  -5.433   4.223
 1697   HG22  VAL  70          HG22      VAL  70  10.728  -6.089   5.833
 1698   HG23  VAL  70          HG23      VAL  70  12.173  -6.575   4.942
 1699    H    ASP  71           H        ASP  71   8.495  -9.042   6.575
 1700    HA   ASP  71           HA       ASP  71   7.416 -11.364   5.199
 1701    HB2  ASP  71           HB2      ASP  71   5.827 -11.459   7.085
 1702    HB3  ASP  71           HB3      ASP  71   7.494 -11.389   7.651
 1703    H    PHE  72           H        PHE  72   4.713 -11.120   5.494
 1704    HA   PHE  72           HA       PHE  72   4.191  -9.788   3.079
 1705    HB2  PHE  72           HB2      PHE  72   2.979 -11.798   4.180
 1706    HB3  PHE  72           HB3      PHE  72   1.999 -10.566   4.966
 1707    HD1  PHE  72           HD2      PHE  72   2.805  -9.056   2.017
 1708    HD2  PHE  72           HD1      PHE  72   0.490 -12.318   3.469
 1709    HE1  PHE  72           HE2      PHE  72   1.386  -8.930   0.011
 1710    HE2  PHE  72           HE1      PHE  72  -0.927 -12.202   1.465
 1711    HZ   PHE  72           HZ       PHE  72  -0.482 -10.510  -0.264
 1712    H    GLN  73           H        GLN  73   2.874  -8.951   6.351
 1713    HA   GLN  73           HA       GLN  73   1.640  -6.601   5.355
 1714    HB2  GLN  73           HB2      GLN  73   0.945  -7.687   7.489
 1715    HB3  GLN  73           HB3      GLN  73   2.427  -7.117   8.233
 1716    HG2  GLN  73           HG2      GLN  73   1.773  -4.817   7.829
 1717    HG3  GLN  73           HG3      GLN  73   0.269  -5.380   7.103
 1718   HE21  GLN  73          HE21      GLN  73   0.981  -3.776   9.534
 1719   HE22  GLN  73          HE22      GLN  73   0.093  -4.531  10.821
 1720    H    GLU  74           H        GLU  74   4.820  -7.253   6.675
 1721    HA   GLU  74           HA       GLU  74   5.658  -4.564   6.954
 1722    HB2  GLU  74           HB2      GLU  74   6.718  -6.823   7.790
 1723    HB3  GLU  74           HB3      GLU  74   7.555  -6.775   6.246
 1724    HG2  GLU  74           HG2      GLU  74   9.024  -5.796   7.776
 1725    HG3  GLU  74           HG3      GLU  74   8.310  -4.446   6.892
 1726    H    TYR  75           H        TYR  75   5.470  -6.794   4.300
 1727    HA   TYR  75           HA       TYR  75   7.073  -5.331   2.458
 1728    HB2  TYR  75           HB2      TYR  75   6.671  -7.713   2.158
 1729    HB3  TYR  75           HB3      TYR  75   4.936  -7.439   2.036
 1730    HD1  TYR  75           HD1      TYR  75   4.007  -6.335  -0.006
 1731    HD2  TYR  75           HD2      TYR  75   8.108  -7.446   0.308
 1732    HE1  TYR  75           HE1      TYR  75   4.233  -6.140  -2.446
 1733    HE2  TYR  75           HE2      TYR  75   8.343  -7.242  -2.140
 1734    HH   TYR  75           HH       TYR  75   5.990  -5.773  -4.106
 1735    H    CYS  76           H        CYS  76   3.639  -5.406   3.246
 1736    HA   CYS  76           HA       CYS  76   3.018  -3.669   1.045
 1737    HB2  CYS  76           HB2      CYS  76   1.278  -4.737   3.271
 1738    HB3  CYS  76           HB3      CYS  76   0.687  -3.830   1.877
 1739    HG   CYS  76           HG       CYS  76   1.447  -5.765   0.014
 1740    H    VAL  77           H        VAL  77   3.483  -3.302   4.540
 1741    HA   VAL  77           HA       VAL  77   2.579  -0.603   4.602
 1742    HB   VAL  77           HB       VAL  77   2.887  -1.842   6.692
 1743   HG11  VAL  77          HG11      VAL  77   5.116  -2.312   7.562
 1744   HG12  VAL  77          HG12      VAL  77   4.797  -3.174   6.054
 1745   HG13  VAL  77          HG13      VAL  77   5.817  -1.735   6.046
 1746   HG21  VAL  77          HG21      VAL  77   3.015   0.611   6.784
 1747   HG22  VAL  77          HG22      VAL  77   4.043  -0.137   8.006
 1748   HG23  VAL  77          HG23      VAL  77   4.765   0.526   6.542
 1749    H    PHE  78           H        PHE  78   5.577  -2.170   3.772
 1750    HA   PHE  78           HA       PHE  78   7.257  -0.054   3.215
 1751    HB2  PHE  78           HB2      PHE  78   8.132  -2.198   2.880
 1752    HB3  PHE  78           HB3      PHE  78   6.741  -2.729   1.947
 1753    HD1  PHE  78           HD1      PHE  78   6.566  -2.235  -0.429
 1754    HD2  PHE  78           HD2      PHE  78   9.951  -1.024   1.860
 1755    HE1  PHE  78           HE1      PHE  78   7.831  -1.866  -2.505
 1756    HE2  PHE  78           HE2      PHE  78  11.220  -0.649  -0.214
 1757    HZ   PHE  78           HZ       PHE  78  10.168  -1.070  -2.394
 1758    H    LEU  79           H        LEU  79   4.743  -1.480   1.195
 1759    HA   LEU  79           HA       LEU  79   5.016   0.248  -0.997
 1760    HB2  LEU  79           HB2      LEU  79   2.935  -1.634  -0.022
 1761    HB3  LEU  79           HB3      LEU  79   2.535  -0.534  -1.327
 1762    HG   LEU  79           HG       LEU  79   5.018  -1.757  -1.957
 1763   HD11  LEU  79          HD11      LEU  79   2.834  -3.691  -1.208
 1764   HD12  LEU  79          HD12      LEU  79   4.312  -4.090  -2.083
 1765   HD13  LEU  79          HD13      LEU  79   4.402  -3.531  -0.413
 1766   HD21  LEU  79          HD21      LEU  79   3.049  -0.787  -3.290
 1767   HD22  LEU  79          HD22      LEU  79   3.940  -2.186  -3.948
 1768   HD23  LEU  79          HD23      LEU  79   2.366  -2.420  -3.155
 1769    H    SER  80           H        SER  80   2.587   0.177   1.566
 1770    HA   SER  80           HA       SER  80   1.230   2.475   0.797
 1771    HB2  SER  80           HB2      SER  80   0.585   2.532   3.283
 1772    HB3  SER  80           HB3      SER  80   0.165   1.108   2.335
 1773    HG   SER  80           HG       SER  80   1.671  -0.050   3.344
 1774    H    CYS  81           H        CYS  81   4.141   2.059   2.706
 1775    HA   CYS  81           HA       CYS  81   4.428   4.709   3.540
 1776    HB2  CYS  81           HB2      CYS  81   5.988   3.309   4.496
 1777    HB3  CYS  81           HB3      CYS  81   6.392   2.528   2.965
 1778    HG   CYS  81           HG       CYS  81   8.126   4.320   2.082
 1779    H    ILE  82           H        ILE  82   5.645   3.112   0.568
 1780    HA   ILE  82           HA       ILE  82   6.887   5.390  -0.458
 1781    HB   ILE  82           HB       ILE  82   5.579   3.191  -2.087
 1782   HG12  ILE  82          HG12      ILE  82   8.219   3.444  -0.689
 1783   HG13  ILE  82          HG13      ILE  82   7.162   2.043  -0.839
 1784   HG21  ILE  82          HG21      ILE  82   7.706   5.228  -2.787
 1785   HG22  ILE  82          HG22      ILE  82   7.143   3.927  -3.838
 1786   HG23  ILE  82          HG23      ILE  82   6.040   5.222  -3.371
 1787   HD11  ILE  82          HD11      ILE  82   8.940   3.210  -2.970
 1788   HD12  ILE  82          HD12      ILE  82   9.172   1.690  -2.105
 1789   HD13  ILE  82          HD13      ILE  82   7.813   1.866  -3.220
 1790    H    ALA  83           H        ALA  83   3.607   4.176  -1.054
 1791    HA   ALA  83           HA       ALA  83   2.821   6.244  -2.779
 1792    HB1  ALA  83           HB1      ALA  83   1.633   4.091  -2.458
 1793    HB2  ALA  83           HB2      ALA  83   1.050   4.692  -0.906
 1794    HB3  ALA  83           HB3      ALA  83   0.576   5.508  -2.399
 1795    H    MET  84           H        MET  84   2.545   5.913   0.736
 1796    HA   MET  84           HA       MET  84   1.147   8.371   1.064
 1797    HB2  MET  84           HB2      MET  84   0.785   6.594   2.601
 1798    HB3  MET  84           HB3      MET  84   2.490   6.564   3.023
 1799    HG2  MET  84           HG2      MET  84   2.234   8.877   3.914
 1800    HG3  MET  84           HG3      MET  84   0.494   8.719   3.642
 1801    HE1  MET  84           HE1      MET  84   2.205   5.520   4.210
 1802    HE2  MET  84           HE2      MET  84   3.446   6.549   4.967
 1803    HE3  MET  84           HE3      MET  84   2.520   5.382   5.959
 1804    H    MET  85           H        MET  85   4.488   7.390   1.290
 1805    HA   MET  85           HA       MET  85   5.572   9.707   2.436
 1806    HB2  MET  85           HB2      MET  85   6.699   7.492   2.053
 1807    HB3  MET  85           HB3      MET  85   6.884   7.966   0.363
 1808    HG2  MET  85           HG2      MET  85   7.914  10.116   1.520
 1809    HG3  MET  85           HG3      MET  85   8.272   8.943   2.773
 1810    HE1  MET  85           HE1      MET  85  10.419   6.577   1.880
 1811    HE2  MET  85           HE2      MET  85   8.633   6.604   1.926
 1812    HE3  MET  85           HE3      MET  85   9.494   6.123   0.431
 1813    H    CYS  86           H        CYS  86   4.435   8.922  -0.721
 1814    HA   CYS  86           HA       CYS  86   5.618  11.059  -2.164
 1815    HB2  CYS  86           HB2      CYS  86   4.762   8.967  -3.198
 1816    HB3  CYS  86           HB3      CYS  86   3.123   9.483  -2.820
 1817    HG   CYS  86           HG       CYS  86   5.259  10.718  -5.155
 1818    H    ASN  87           H        ASN  87   3.040  10.912   0.049
 1819    HA   ASN  87           HA       ASN  87   1.221  12.742  -0.967
 1820    HB2  ASN  87           HB2      ASN  87   0.691  11.406   0.977
 1821    HB3  ASN  87           HB3      ASN  87   1.945  12.208   1.916
 1822   HD21  ASN  87          HD21      ASN  87  -1.173  12.615   0.371
 1823   HD22  ASN  87          HD22      ASN  87  -1.652  14.004   1.278
 1824    H    GLU  88           H        GLU  88   4.308  13.376   0.642
 1825    HA   GLU  88           HA       GLU  88   3.742  16.192   0.909
 1826    HB2  GLU  88           HB2      GLU  88   5.998  16.445   1.701
 1827    HB3  GLU  88           HB3      GLU  88   5.319  15.002   2.436
 1828    HG2  GLU  88           HG2      GLU  88   6.554  13.593   0.930
 1829    HG3  GLU  88           HG3      GLU  88   7.138  14.997   0.038
 1830    H    PHE  89           H        PHE  89   4.933  14.122  -1.540
 1831    HA   PHE  89           HA       PHE  89   6.275  16.242  -3.013
 1832    HB2  PHE  89           HB2      PHE  89   5.900  13.296  -3.581
 1833    HB3  PHE  89           HB3      PHE  89   6.778  14.403  -4.634
 1834    HD1  PHE  89           HD2      PHE  89   8.830  15.547  -3.741
 1835    HD2  PHE  89           HD1      PHE  89   6.939  12.308  -1.737
 1836    HE1  PHE  89           HE2      PHE  89  10.891  15.135  -2.466
 1837    HE2  PHE  89           HE1      PHE  89   8.996  11.889  -0.459
 1838    HZ   PHE  89           HZ       PHE  89  10.975  13.306  -0.823
 1839    H    PHE  90           H        PHE  90   3.958  13.728  -3.978
 1840    HA   PHE  90           HA       PHE  90   3.288  15.189  -6.346
 1841    HB2  PHE  90           HB2      PHE  90   3.432  12.781  -6.432
 1842    HB3  PHE  90           HB3      PHE  90   2.197  12.612  -5.188
 1843    HD1  PHE  90           HD2      PHE  90   2.858  13.477  -8.693
 1844    HD2  PHE  90           HD1      PHE  90  -0.138  12.839  -5.740
 1845    HE1  PHE  90           HE2      PHE  90   1.142  13.400 -10.455
 1846    HE2  PHE  90           HE1      PHE  90  -1.859  12.762  -7.497
 1847    HZ   PHE  90           HZ       PHE  90  -1.219  13.045  -9.857
 1848    H    GLU  91           H        GLU  91   1.290  14.022  -3.638
 1849    HA   GLU  91           HA       GLU  91  -0.964  15.606  -4.323
 1850    HB2  GLU  91           HB2      GLU  91  -0.715  13.502  -2.781
 1851    HB3  GLU  91           HB3      GLU  91  -0.409  14.679  -1.527
 1852    HG2  GLU  91           HG2      GLU  91  -2.888  14.416  -3.210
 1853    HG3  GLU  91           HG3      GLU  91  -2.725  14.044  -1.498
 1854    H    GLY  92           H        GLY  92   1.582  15.975  -1.858
 1855    HA2  GLY  92           HA2      GLY  92   2.712  17.950  -1.350
 1856    HA3  GLY  92           HA3      GLY  92   1.572  18.834  -2.350
 1857    H    PHE  93           H        PHE  93   0.877  16.668   0.369
 1858    HA   PHE  93           HA       PHE  93  -0.347  18.972   1.725
 1859    HB2  PHE  93           HB2      PHE  93  -1.840  17.036   1.151
 1860    HB3  PHE  93           HB3      PHE  93  -0.886  16.043   2.246
 1861    HD1  PHE  93           HD1      PHE  93  -2.509  19.408   2.356
 1862    HD2  PHE  93           HD2      PHE  93  -1.868  15.664   4.274
 1863    HE1  PHE  93           HE1      PHE  93  -3.934  20.128   4.226
 1864    HE2  PHE  93           HE2      PHE  93  -3.293  16.379   6.148
 1865    HZ   PHE  93           HZ       PHE  93  -4.327  18.612   6.125
 1866    HA   PRO  94           HA       PRO  94   3.282  18.268   4.312
 1867    HB2  PRO  94           HB2      PRO  94   3.374  20.756   5.359
 1868    HB3  PRO  94           HB3      PRO  94   3.975  20.386   3.737
 1869    HG2  PRO  94           HG2      PRO  94   1.398  21.647   4.566
 1870    HG3  PRO  94           HG3      PRO  94   2.451  22.039   3.197
 1871    HD2  PRO  94           HD2      PRO  94   0.155  20.544   3.001
 1872    HD3  PRO  94           HD3      PRO  94   1.514  20.434   1.868
 1873    H    ASP  95           H        ASP  95   2.141  16.804   5.670
 1874    HA   ASP  95           HA       ASP  95   1.520  17.956   8.252
 1875    HB2  ASP  95           HB2      ASP  95  -0.669  18.078   7.293
 1876    HB3  ASP  95           HB3      ASP  95  -0.545  16.439   6.659
 1877    H    LYS  96           H        LYS  96   1.632  15.014   6.278
 1878    HA   LYS  96           HA       LYS  96   1.918  13.328   8.605
 1879    HB2  LYS  96           HB2      LYS  96   2.037  12.690   5.651
 1880    HB3  LYS  96           HB3      LYS  96   2.106  11.490   6.931
 1881    HG2  LYS  96           HG2      LYS  96  -0.109  11.454   6.196
 1882    HG3  LYS  96           HG3      LYS  96  -0.153  12.399   7.685
 1883    HD2  LYS  96           HD2      LYS  96  -0.164  14.463   6.386
 1884    HD3  LYS  96           HD3      LYS  96  -0.073  13.535   4.889
 1885    HE2  LYS  96           HE2      LYS  96  -2.353  14.261   5.314
 1886    HE3  LYS  96           HE3      LYS  96  -2.231  12.505   5.399
 1887    HZ1  LYS  96           HZ1      LYS  96  -3.588  13.473   7.184
 1888    HZ2  LYS  96           HZ2      LYS  96  -2.224  14.308   7.767
 1889    HZ3  LYS  96           HZ3      LYS  96  -2.259  12.612   7.781
 1890    H    GLN  97           H        GLN  97   3.911  15.149   8.596
 1891    HA   GLN  97           HA       GLN  97   6.129  15.411   8.880
 1892    HB2  GLN  97           HB2      GLN  97   6.141  13.199   9.912
 1893    HB3  GLN  97           HB3      GLN  97   6.280  12.439   8.336
 1894    HG2  GLN  97           HG2      GLN  97   8.408  12.459   9.508
 1895    HG3  GLN  97           HG3      GLN  97   8.480  13.422   8.032
 1896   HE21  GLN  97          HE21      GLN  97   6.951  14.507  10.996
 1897   HE22  GLN  97          HE22      GLN  97   8.100  15.760  11.334
 1898    HA   PRO  98           HA       PRO  98   6.975  15.715   4.390
 1899    HB2  PRO  98           HB2      PRO  98   6.688  18.357   4.128
 1900    HB3  PRO  98           HB3      PRO  98   5.279  17.290   4.139
 1901    HG2  PRO  98           HG2      PRO  98   6.344  19.045   6.302
 1902    HG3  PRO  98           HG3      PRO  98   4.663  18.678   5.877
 1903    HD2  PRO  98           HD2      PRO  98   6.132  17.487   7.937
 1904    HD3  PRO  98           HD3      PRO  98   4.623  16.864   7.246
 1905    H    ARG  99           H        ARG  99   9.000  16.319   3.541
 1906    HA   ARG  99           HA       ARG  99  10.806  17.569   5.510
 1907    HB2  ARG  99           HB2      ARG  99  11.376  15.123   3.837
 1908    HB3  ARG  99           HB3      ARG  99  12.554  15.952   4.850
 1909    HG2  ARG  99           HG2      ARG  99  11.164  15.490   6.821
 1910    HG3  ARG  99           HG3      ARG  99  10.026  14.617   5.794
 1911    HD2  ARG  99           HD2      ARG  99  11.741  13.011   5.216
 1912    HD3  ARG  99           HD3      ARG  99  12.931  13.910   6.158
 1913    HE   ARG  99           HE       ARG  99  10.597  12.532   7.322
 1914   HH11  ARG  99          HH12      ARG  99  13.909  13.649   7.474
 1915   HH12  ARG  99          HH11      ARG  99  14.207  12.924   9.028
 1916   HH21  ARG  99          HH22      ARG  99  11.003  11.556   9.368
 1917   HH22  ARG  99          HH21      ARG  99  12.573  11.751  10.098
 1918    H    LYS 100           H        LYS 100   9.557  17.838   2.467
 1919    HA   LYS 100           HA       LYS 100  11.307  20.023   1.956
 1920    HB2  LYS 100           HB2      LYS 100  12.127  19.309  -0.250
 1921    HB3  LYS 100           HB3      LYS 100  12.750  18.300   1.044
 1922    HG2  LYS 100           HG2      LYS 100  11.100  16.575   0.480
 1923    HG3  LYS 100           HG3      LYS 100  10.512  17.589  -0.841
 1924    HD2  LYS 100           HD2      LYS 100  13.320  16.518  -0.558
 1925    HD3  LYS 100           HD3      LYS 100  12.080  15.880  -1.639
 1926    HE2  LYS 100           HE2      LYS 100  12.032  17.948  -2.876
 1927    HE3  LYS 100           HE3      LYS 100  13.145  18.700  -1.734
 1928    HZ1  LYS 100           HZ1      LYS 100  14.838  17.105  -2.401
 1929    HZ2  LYS 100           HZ2      LYS 100  14.294  18.007  -3.729
 1930    HZ3  LYS 100           HZ3      LYS 100  13.770  16.404  -3.518
 1931    H    LYS 101           H        LYS 101   8.759  20.195   2.433
 1932    HA   LYS 101           HA       LYS 101   7.370  20.316  -0.153
 1933    HB2  LYS 101           HB2      LYS 101   6.442  19.047   1.957
 1934    HB3  LYS 101           HB3      LYS 101   5.971  20.659   2.479
 1935    HG2  LYS 101           HG2      LYS 101   5.168  19.430  -0.151
 1936    HG3  LYS 101           HG3      LYS 101   4.181  19.393   1.310
 1937    HD2  LYS 101           HD2      LYS 101   3.845  21.711   1.274
 1938    HD3  LYS 101           HD3      LYS 101   5.187  21.977   0.161
 1939    HE2  LYS 101           HE2      LYS 101   3.944  20.868  -1.617
 1940    HE3  LYS 101           HE3      LYS 101   2.609  20.562  -0.506
 1941    HZ1  LYS 101           HZ1      LYS 101   2.089  22.818  -0.395
 1942    HZ2  LYS 101           HZ2      LYS 101   2.418  22.556  -2.041
 1943    HZ3  LYS 101           HZ3      LYS 101   3.576  23.303  -1.050
  Start of MODEL    7
    1    H1   GLN1897           H1       GLN1897 -20.318 -11.973   2.246
    2    H2   GLN1897           H2       GLN1897 -18.952 -12.793   1.666
    3    H3   GLN1897           H3       GLN1897 -20.287 -12.546   0.649
    4    HA   GLN1897           HA       GLN1897 -18.446 -11.044   0.154
    5    HB2  GLN1897           HB2      GLN1897 -20.861 -10.420  -0.216
    6    HB3  GLN1897           HB3      GLN1897 -20.829  -9.592   1.335
    7    HG2  GLN1897           HG2      GLN1897 -20.558  -8.116  -0.655
    8    HG3  GLN1897           HG3      GLN1897 -19.266  -7.981   0.538
    9   HE21  GLN1897          HE21      GLN1897 -17.801  -7.189  -0.910
   10   HE22  GLN1897          HE22      GLN1897 -17.080  -8.158  -2.145
   11    H    ARG1898           H        ARG1898 -17.385  -9.031   0.836
   12    HA   ARG1898           HA       ARG1898 -16.624  -7.459   2.207
   13    HB2  ARG1898           HB2      ARG1898 -18.512  -7.505   3.648
   14    HB3  ARG1898           HB3      ARG1898 -17.973  -9.007   4.369
   15    HG2  ARG1898           HG2      ARG1898 -17.614  -6.862   5.701
   16    HG3  ARG1898           HG3      ARG1898 -16.240  -7.957   5.543
   17    HD2  ARG1898           HD2      ARG1898 -15.495  -5.701   5.193
   18    HD3  ARG1898           HD3      ARG1898 -15.392  -6.597   3.685
   19    HE   ARG1898           HE       ARG1898 -17.417  -4.547   4.315
   20   HH11  ARG1898          HH12      ARG1898 -15.907  -6.599   1.923
   21   HH12  ARG1898          HH11      ARG1898 -16.149  -5.498   0.612
   22   HH21  ARG1898          HH22      ARG1898 -17.692  -3.054   2.585
   23   HH22  ARG1898          HH21      ARG1898 -17.169  -3.486   0.987
   24    H    GLU1899           H        GLU1899 -14.979  -8.620   1.156
   25    HA   GLU1899           HA       GLU1899 -13.064 -10.140   2.587
   26    HB2  GLU1899           HB2      GLU1899 -11.550  -9.163   0.784
   27    HB3  GLU1899           HB3      GLU1899 -12.957 -10.042   0.190
   28    HG2  GLU1899           HG2      GLU1899 -13.172  -7.114   0.631
   29    HG3  GLU1899           HG3      GLU1899 -12.327  -7.666  -0.795
   30    H    LEU1900           H        LEU1900 -13.958  -6.796   2.350
   31    HA   LEU1900           HA       LEU1900 -11.553  -5.649   3.281
   32    HB2  LEU1900           HB2      LEU1900 -14.375  -4.564   3.105
   33    HB3  LEU1900           HB3      LEU1900 -13.041  -3.647   3.764
   34    HG   LEU1900           HG       LEU1900 -13.269  -2.883   1.589
   35   HD11  LEU1900          HD11      LEU1900 -10.977  -3.203   2.140
   36   HD12  LEU1900          HD12      LEU1900 -11.044  -4.884   1.604
   37   HD13  LEU1900          HD13      LEU1900 -11.231  -3.580   0.435
   38   HD21  LEU1900          HD21      LEU1900 -13.356  -5.711   0.662
   39   HD22  LEU1900          HD22      LEU1900 -14.693  -4.560   0.716
   40   HD23  LEU1900          HD23      LEU1900 -13.334  -4.279  -0.370
   41    H    GLU1901           H        GLU1901 -13.638  -7.595   4.902
   42    HA   GLU1901           HA       GLU1901 -13.661  -6.308   7.455
   43    HB2  GLU1901           HB2      GLU1901 -15.275  -8.099   6.781
   44    HB3  GLU1901           HB3      GLU1901 -13.951  -9.255   6.815
   45    HG2  GLU1901           HG2      GLU1901 -13.626  -8.760   9.207
   46    HG3  GLU1901           HG3      GLU1901 -15.025  -7.687   9.149
   47    H    ASP1902           H        ASP1902 -11.949  -9.183   6.243
   48    HA   ASP1902           HA       ASP1902  -9.932  -9.071   8.262
   49    HB2  ASP1902           HB2      ASP1902  -9.758 -10.511   5.608
   50    HB3  ASP1902           HB3      ASP1902  -8.911 -10.905   7.100
   51    H    ALA1903           H        ALA1903 -10.353  -7.810   5.061
   52    HA   ALA1903           HA       ALA1903  -7.782  -7.271   4.204
   53    HB1  ALA1903           HB1      ALA1903  -9.994  -6.845   2.987
   54    HB2  ALA1903           HB2      ALA1903 -10.035  -5.308   3.861
   55    HB3  ALA1903           HB3      ALA1903  -8.706  -5.661   2.754
   56    H    THR1904           H        THR1904  -9.922  -4.852   5.612
   57    HA   THR1904           HA       THR1904  -7.577  -3.206   6.041
   58    HB   THR1904           HB       THR1904  -9.229  -1.348   6.201
   59    HG1  THR1904           HG1      THR1904 -11.340  -1.758   6.078
   60   HG21  THR1904          HG21      THR1904  -9.316  -3.149   3.779
   61   HG22  THR1904          HG22      THR1904  -8.192  -1.823   4.081
   62   HG23  THR1904          HG23      THR1904  -9.900  -1.487   3.793
   63    H    GLU1905           H        GLU1905  -9.462  -5.277   7.806
   64    HA   GLU1905           HA       GLU1905  -9.483  -4.200  10.366
   65    HB2  GLU1905           HB2      GLU1905 -10.219  -6.500   9.822
   66    HB3  GLU1905           HB3      GLU1905  -8.547  -6.939   9.496
   67    HG2  GLU1905           HG2      GLU1905  -9.188  -7.748  11.668
   68    HG3  GLU1905           HG3      GLU1905  -7.979  -6.479  11.833
   69    H    THR1906           H        THR1906  -6.961  -5.919   8.623
   70    HA   THR1906           HA       THR1906  -4.871  -5.379  10.449
   71    HB   THR1906           HB       THR1906  -4.094  -5.936   7.669
   72    HG1  THR1906           HG1      THR1906  -5.856  -7.184   7.436
   73   HG21  THR1906          HG21      THR1906  -2.590  -6.207   9.589
   74   HG22  THR1906          HG22      THR1906  -2.855  -7.745   8.766
   75   HG23  THR1906          HG23      THR1906  -3.691  -7.400  10.282
   76    H    ALA1907           H        ALA1907  -6.366  -3.541   7.931
   77    HA   ALA1907           HA       ALA1907  -4.286  -1.875   7.177
   78    HB1  ALA1907           HB1      ALA1907  -7.146  -1.031   7.612
   79    HB2  ALA1907           HB2      ALA1907  -5.934  -0.137   6.692
   80    HB3  ALA1907           HB3      ALA1907  -6.487  -1.722   6.126
   81    H    ASP1908           H        ASP1908  -6.423  -1.580   9.997
   82    HA   ASP1908           HA       ASP1908  -5.346   0.670  11.184
   83    HB2  ASP1908           HB2      ASP1908  -7.259  -0.445  12.164
   84    HB3  ASP1908           HB3      ASP1908  -6.296  -1.880  12.506
   85    H    ALA1909           H        ALA1909  -4.218  -2.694  11.588
   86    HA   ALA1909           HA       ALA1909  -2.077  -2.192  13.290
   87    HB1  ALA1909           HB1      ALA1909  -2.246  -4.313  11.151
   88    HB2  ALA1909           HB2      ALA1909  -1.166  -4.324  12.544
   89    HB3  ALA1909           HB3      ALA1909  -2.908  -4.438  12.780
   90    H    MET1910           H        MET1910  -1.795  -2.774   9.775
   91    HA   MET1910           HA       MET1910   0.689  -1.798   9.294
   92    HB2  MET1910           HB2      MET1910  -0.484  -2.799   7.536
   93    HB3  MET1910           HB3      MET1910  -1.811  -1.659   7.642
   94    HG2  MET1910           HG2      MET1910  -0.457   0.100   6.691
   95    HG3  MET1910           HG3      MET1910   0.981  -0.931   6.765
   96    HE1  MET1910           HE1      MET1910   1.232  -3.192   5.338
   97    HE2  MET1910           HE2      MET1910  -0.327  -3.724   5.974
   98    HE3  MET1910           HE3      MET1910  -0.024  -3.768   4.238
   99    H    ASN1911           H        ASN1911  -2.176   0.211   9.875
  100    HA   ASN1911           HA       ASN1911  -1.052   2.587   8.799
  101    HB2  ASN1911           HB2      ASN1911  -3.491   2.220   9.253
  102    HB3  ASN1911           HB3      ASN1911  -3.135   2.397  10.962
  103   HD21  ASN1911          HD21      ASN1911  -3.302   3.988   7.909
  104   HD22  ASN1911          HD22      ASN1911  -3.274   5.597   8.512
  105    H    ARG1912           H        ARG1912  -0.991   1.201  12.038
  106    HA   ARG1912           HA       ARG1912  -0.004   3.525  13.312
  107    HB2  ARG1912           HB2      ARG1912  -0.256   0.632  14.009
  108    HB3  ARG1912           HB3      ARG1912   0.712   1.680  15.017
  109    HG2  ARG1912           HG2      ARG1912  -1.631   1.388  15.801
  110    HG3  ARG1912           HG3      ARG1912  -1.177   3.070  15.516
  111    HD2  ARG1912           HD2      ARG1912  -2.301   3.049  13.371
  112    HD3  ARG1912           HD3      ARG1912  -2.660   1.332  13.550
  113    HE   ARG1912           HE       ARG1912  -4.211   1.884  15.291
  114   HH11  ARG1912          HH12      ARG1912  -2.945   4.639  13.551
  115   HH12  ARG1912          HH11      ARG1912  -4.341   5.632  13.849
  116   HH21  ARG1912          HH22      ARG1912  -6.046   3.183  15.697
  117   HH22  ARG1912          HH21      ARG1912  -6.087   4.810  15.103
  118    H    GLU1913           H        GLU1913   1.474   0.679  11.917
  119    HA   GLU1913           HA       GLU1913   4.137   1.555  12.537
  120    HB2  GLU1913           HB2      GLU1913   4.841  -0.359  11.167
  121    HB3  GLU1913           HB3      GLU1913   3.664  -0.819  12.389
  122    HG2  GLU1913           HG2      GLU1913   1.903  -0.794  10.704
  123    HG3  GLU1913           HG3      GLU1913   3.085  -0.336   9.471
  124    H    VAL1914           H        VAL1914   1.964   1.716   9.767
  125    HA   VAL1914           HA       VAL1914   3.831   2.290   7.760
  126    HB   VAL1914           HB       VAL1914   1.263   1.760   7.616
  127   HG11  VAL1914          HG11      VAL1914   0.416   3.708   8.747
  128   HG12  VAL1914          HG12      VAL1914   1.241   4.765   7.591
  129   HG13  VAL1914          HG13      VAL1914  -0.089   3.736   7.053
  130   HG21  VAL1914          HG21      VAL1914   2.695   1.884   5.689
  131   HG22  VAL1914          HG22      VAL1914   1.156   2.684   5.366
  132   HG23  VAL1914          HG23      VAL1914   2.597   3.646   5.699
  133    H    SER1915           H        SER1915   2.201   4.337  10.057
  134    HA   SER1915           HA       SER1915   2.901   6.773   8.794
  135    HB2  SER1915           HB2      SER1915   2.065   7.742  10.958
  136    HB3  SER1915           HB3      SER1915   0.957   6.644  10.125
  137    HG   SER1915           HG       SER1915   1.107   5.247  11.699
  138    H    SER1916           H        SER1916   4.321   4.685  11.179
  139    HA   SER1916           HA       SER1916   6.480   6.509  11.795
  140    HB2  SER1916           HB2      SER1916   5.566   4.913  13.479
  141    HB3  SER1916           HB3      SER1916   6.169   3.577  12.498
  142    HG   SER1916           HG       SER1916   7.682   4.033  14.078
  143    H    LEU1917           H        LEU1917   6.019   3.529   9.917
  144    HA   LEU1917           HA       LEU1917   8.708   3.167   9.226
  145    HB2  LEU1917           HB2      LEU1917   6.925   1.411   9.116
  146    HB3  LEU1917           HB3      LEU1917   6.321   2.190   7.668
  147    HG   LEU1917           HG       LEU1917   9.129   1.084   7.897
  148   HD11  LEU1917          HD11      LEU1917   8.264  -0.724   6.400
  149   HD12  LEU1917          HD12      LEU1917   7.704  -0.803   8.078
  150   HD13  LEU1917          HD13      LEU1917   6.632  -0.191   6.816
  151   HD21  LEU1917          HD21      LEU1917   7.496   1.748   5.473
  152   HD22  LEU1917          HD22      LEU1917   8.682   2.835   6.200
  153   HD23  LEU1917          HD23      LEU1917   9.199   1.285   5.540
  154    H    LYS1918           H        LYS1918   6.037   4.736   7.426
  155    HA   LYS1918           HA       LYS1918   7.584   5.308   5.168
  156    HB2  LYS1918           HB2      LYS1918   5.634   6.049   4.389
  157    HB3  LYS1918           HB3      LYS1918   4.952   5.829   5.991
  158    HG2  LYS1918           HG2      LYS1918   6.412   8.335   5.319
  159    HG3  LYS1918           HG3      LYS1918   4.742   8.103   4.792
  160    HD2  LYS1918           HD2      LYS1918   3.908   8.111   6.935
  161    HD3  LYS1918           HD3      LYS1918   5.426   7.541   7.631
  162    HE2  LYS1918           HE2      LYS1918   6.449   9.705   7.192
  163    HE3  LYS1918           HE3      LYS1918   4.938  10.280   6.490
  164    HZ1  LYS1918           HZ1      LYS1918   5.230   9.361   9.297
  165    HZ2  LYS1918           HZ2      LYS1918   3.864  10.086   8.605
  166    HZ3  LYS1918           HZ3      LYS1918   5.289  10.984   8.813
  167    H    ASN1919           H        ASN1919   7.665   6.556   8.302
  168    HA   ASN1919           HA       ASN1919   9.006   9.029   7.577
  169    HB2  ASN1919           HB2      ASN1919   7.386   9.112   9.402
  170    HB3  ASN1919           HB3      ASN1919   8.286   7.885  10.285
  171   HD21  ASN1919          HD21      ASN1919   8.202  11.217   9.278
  172   HD22  ASN1919          HD22      ASN1919   9.462  11.771  10.331
  173    H    LYS1920           H        LYS1920   9.908   5.769   8.352
  174    HA   LYS1920           HA       LYS1920  12.510   6.618   9.334
  175    HB2  LYS1920           HB2      LYS1920  12.863   3.975   9.239
  176    HB3  LYS1920           HB3      LYS1920  12.116   4.775  10.605
  177    HG2  LYS1920           HG2      LYS1920   9.912   4.159   9.779
  178    HG3  LYS1920           HG3      LYS1920  10.618   3.348   8.369
  179    HD2  LYS1920           HD2      LYS1920  10.036   1.760  10.142
  180    HD3  LYS1920           HD3      LYS1920  11.774   1.786   9.839
  181    HE2  LYS1920           HE2      LYS1920  12.122   3.160  11.807
  182    HE3  LYS1920           HE3      LYS1920  10.383   3.245  12.084
  183    HZ1  LYS1920           HZ1      LYS1920  11.553   1.585  13.488
  184    HZ2  LYS1920           HZ2      LYS1920  11.935   0.707  12.089
  185    HZ3  LYS1920           HZ3      LYS1920  10.316   0.920  12.542
  186    H    LEU1921           H        LEU1921  10.925   5.329   6.548
  187    HA   LEU1921           HA       LEU1921  13.306   4.773   5.088
  188    HB2  LEU1921           HB2      LEU1921  10.673   5.533   3.847
  189    HB3  LEU1921           HB3      LEU1921  11.920   4.501   3.181
  190    HG   LEU1921           HG       LEU1921   9.861   3.863   5.264
  191   HD11  LEU1921          HD11      LEU1921   9.249   3.430   2.984
  192   HD12  LEU1921          HD12      LEU1921  10.742   2.520   2.724
  193   HD13  LEU1921          HD13      LEU1921   9.516   1.896   3.833
  194   HD21  LEU1921          HD21      LEU1921  11.961   3.111   6.222
  195   HD22  LEU1921          HD22      LEU1921  10.980   1.743   5.703
  196   HD23  LEU1921          HD23      LEU1921  12.353   2.262   4.727
  197    H    ARG1922           H        ARG1922  11.040   7.448   5.198
  198    HA   ARG1922           HA       ARG1922  12.583   8.986   3.329
  199    HB2  ARG1922           HB2      ARG1922  10.123   8.960   3.320
  200    HB3  ARG1922           HB3      ARG1922  10.109   9.671   4.924
  201    HG2  ARG1922           HG2      ARG1922   9.627  11.218   3.053
  202    HG3  ARG1922           HG3      ARG1922  10.949  11.729   4.108
  203    HD2  ARG1922           HD2      ARG1922  12.503  10.670   2.398
  204    HD3  ARG1922           HD3      ARG1922  11.099  10.557   1.337
  205    HE   ARG1922           HE       ARG1922  11.063  13.147   2.032
  206   HH11  ARG1922          HH12      ARG1922  13.642  11.092   0.853
  207   HH12  ARG1922          HH11      ARG1922  14.544  12.395   0.151
  208   HH21  ARG1922          HH22      ARG1922  12.241  14.866   1.114
  209   HH22  ARG1922          HH21      ARG1922  13.737  14.556   0.288
  210    H    ARG1923           H        ARG1923  13.098   8.317   6.446
  211    HA   ARG1923           HA       ARG1923  13.451  10.878   7.632
  212    HB2  ARG1923           HB2      ARG1923  13.130   8.704   8.862
  213    HB3  ARG1923           HB3      ARG1923  14.786   8.297   8.443
  214    HG2  ARG1923           HG2      ARG1923  15.644  10.081   9.750
  215    HG3  ARG1923           HG3      ARG1923  14.032  10.764   9.982
  216    HD2  ARG1923           HD2      ARG1923  14.992   8.097  11.017
  217    HD3  ARG1923           HD3      ARG1923  14.790   9.564  11.975
  218    HE   ARG1923           HE       ARG1923  12.336   9.236  10.940
  219   HH11  ARG1923          HH12      ARG1923  14.481   6.994  12.575
  220   HH12  ARG1923          HH11      ARG1923  13.179   6.051  13.241
  221   HH21  ARG1923          HH22      ARG1923  10.639   8.012  11.822
  222   HH22  ARG1923          HH21      ARG1923  10.996   6.610  12.793
  223    H    GLY1924           H        GLY1924  15.674   8.583   6.066
  224    HA2  GLY1924           HA2      GLY1924  17.491   9.794   4.784
  225    HA3  GLY1924           HA3      GLY1924  17.808  10.600   6.322
  226    H    ASP1925           H        ASP1925  16.780   7.847   7.359
  227    HA   ASP1925           HA       ASP1925  19.392   6.704   7.729
  228    HB2  ASP1925           HB2      ASP1925  16.658   5.963   8.776
  229    HB3  ASP1925           HB3      ASP1925  18.105   5.020   9.123
  230    H    LEU1926           H        LEU1926  17.507   6.582   5.146
  231    HA   LEU1926           HA       LEU1926  18.906   4.284   4.267
  232    HB2  LEU1926           HB2      LEU1926  17.022   3.009   3.511
  233    HB3  LEU1926           HB3      LEU1926  17.022   3.166   5.241
  234    HG   LEU1926           HG       LEU1926  15.191   4.943   4.939
  235   HD11  LEU1926          HD11      LEU1926  13.895   4.769   2.862
  236   HD12  LEU1926          HD12      LEU1926  15.528   5.339   2.511
  237   HD13  LEU1926          HD13      LEU1926  15.090   3.661   2.187
  238   HD21  LEU1926          HD21      LEU1926  15.019   2.031   4.400
  239   HD22  LEU1926          HD22      LEU1926  14.553   2.944   5.827
  240   HD23  LEU1926          HD23      LEU1926  13.564   3.021   4.367
  241    HA   PRO1927           HA       PRO1927  19.004   6.317   0.454
  242    HB2  PRO1927           HB2      PRO1927  18.734   4.412  -1.434
  243    HB3  PRO1927           HB3      PRO1927  20.134   4.486  -0.356
  244    HG2  PRO1927           HG2      PRO1927  17.665   2.793  -0.134
  245    HG3  PRO1927           HG3      PRO1927  19.360   2.306   0.041
  246    HD2  PRO1927           HD2      PRO1927  17.794   2.792   2.171
  247    HD3  PRO1927           HD3      PRO1927  19.524   3.189   2.173
  248    H    PHE1928           H        PHE1928  16.316   3.972   0.007
  249    HA   PHE1928           HA       PHE1928  15.488   5.419  -2.305
  250    HB2  PHE1928           HB2      PHE1928  14.433   3.512  -2.878
  251    HB3  PHE1928           HB3      PHE1928  15.316   2.823  -1.545
  252    HD1  PHE1928           HD2      PHE1928  12.187   4.686  -2.080
  253    HD2  PHE1928           HD1      PHE1928  14.131   1.466  -0.132
  254    HE1  PHE1928           HE2      PHE1928  10.054   4.011  -1.057
  255    HE2  PHE1928           HE1      PHE1928  12.024   0.793   0.892
  256    HZ   PHE1928           HZ       PHE1928  10.051   1.999   0.480
  257    H    VAL1929           H        VAL1929  13.517   6.367  -2.713
  258    HA   VAL1929           HA       VAL1929  11.693   7.124  -0.628
  259    HB   VAL1929           HB       VAL1929  12.195   9.576  -0.875
  260   HG11  VAL1929          HG11      VAL1929  14.010   9.604   0.695
  261   HG12  VAL1929          HG12      VAL1929  12.989   8.205   1.053
  262   HG13  VAL1929          HG13      VAL1929  14.515   7.986   0.192
  263   HG21  VAL1929          HG21      VAL1929  14.648   8.456  -2.209
  264   HG22  VAL1929          HG22      VAL1929  13.383   9.416  -2.974
  265   HG23  VAL1929          HG23      VAL1929  14.431  10.151  -1.757
  266    H    VAL1930           H        VAL1930  10.096   8.768  -1.549
  267    HA   VAL1930           HA       VAL1930   9.576   8.152  -4.319
  268    HB   VAL1930           HB       VAL1930   8.114  10.057  -2.477
  269   HG11  VAL1930          HG11      VAL1930   7.305   8.928  -5.155
  270   HG12  VAL1930          HG12      VAL1930   6.299   9.931  -4.112
  271   HG13  VAL1930          HG13      VAL1930   7.764  10.600  -4.833
  272   HG21  VAL1930          HG21      VAL1930   7.996   7.788  -1.665
  273   HG22  VAL1930          HG22      VAL1930   6.439   8.262  -2.348
  274   HG23  VAL1930          HG23      VAL1930   7.524   7.214  -3.266
  275    HA   PRO1931           HA       PRO1931  11.821  11.669  -6.003
  276    HB2  PRO1931           HB2      PRO1931  10.474  11.449  -8.437
  277    HB3  PRO1931           HB3      PRO1931  12.005  10.670  -8.031
  278    HG2  PRO1931           HG2      PRO1931   9.249   9.553  -8.033
  279    HG3  PRO1931           HG3      PRO1931  10.786   8.764  -8.429
  280    HD2  PRO1931           HD2      PRO1931   9.503   8.340  -6.094
  281    HD3  PRO1931           HD3      PRO1931  11.276   8.326  -6.209
  282    H    ARG1932           H        ARG1932  11.004  13.643  -7.325
  283    HA   ARG1932           HA       ARG1932   9.166  14.928  -5.615
  284    HB2  ARG1932           HB2      ARG1932  10.461  15.807  -8.182
  285    HB3  ARG1932           HB3      ARG1932   9.357  16.840  -7.290
  286    HG2  ARG1932           HG2      ARG1932  11.550  17.482  -6.689
  287    HG3  ARG1932           HG3      ARG1932  10.878  16.610  -5.313
  288    HD2  ARG1932           HD2      ARG1932  12.070  14.574  -6.093
  289    HD3  ARG1932           HD3      ARG1932  12.818  15.544  -7.361
  290    HE   ARG1932           HE       ARG1932  13.256  16.735  -4.832
  291   HH11  ARG1932          HH12      ARG1932  14.327  14.043  -6.824
  292   HH12  ARG1932          HH11      ARG1932  15.873  13.916  -6.035
  293   HH21  ARG1932          HH22      ARG1932  15.290  16.584  -3.824
  294   HH22  ARG1932          HH21      ARG1932  16.437  15.395  -4.368
  295    H    ARG1933           H        ARG1933   8.687  12.978  -8.215
  296    HA   ARG1933           HA       ARG1933   5.837  13.445  -8.126
  297    HB2  ARG1933           HB2      ARG1933   5.798  13.276 -10.704
  298    HB3  ARG1933           HB3      ARG1933   6.216  14.833 -10.002
  299    HG2  ARG1933           HG2      ARG1933   8.502  14.563 -10.506
  300    HG3  ARG1933           HG3      ARG1933   8.301  12.846 -10.856
  301    HD2  ARG1933           HD2      ARG1933   6.895  14.963 -12.458
  302    HD3  ARG1933           HD3      ARG1933   8.540  14.451 -12.839
  303    HE   ARG1933           HE       ARG1933   7.690  12.244 -13.270
  304   HH11  ARG1933          HH12      ARG1933   5.306  14.794 -13.055
  305   HH12  ARG1933          HH11      ARG1933   4.056  13.863 -13.835
  306   HH21  ARG1933          HH22      ARG1933   6.072  11.014 -14.293
  307   HH22  ARG1933          HH21      ARG1933   4.486  11.704 -14.517
  308    H    MET1934           H        MET1934   4.845  11.659  -9.689
  309    HA   MET1934           HA       MET1934   5.816   9.186  -8.709
  310    HB2  MET1934           HB2      MET1934   3.960   9.497 -11.063
  311    HB3  MET1934           HB3      MET1934   4.071   8.146  -9.946
  312    HG2  MET1934           HG2      MET1934   2.734  10.776  -9.624
  313    HG3  MET1934           HG3      MET1934   2.171   9.163  -9.205
  314    HE1  MET1934           HE1      MET1934   4.329   8.550  -5.900
  315    HE2  MET1934           HE2      MET1934   3.210   7.798  -7.036
  316    HE3  MET1934           HE3      MET1934   4.855   8.188  -7.543
  317    H    ALA1935           H        ALA1935   6.662  11.177 -11.255
  318    HA   ALA1935           HA       ALA1935   8.315  11.146 -12.768
  319    HB1  ALA1935           HB1      ALA1935  10.281   9.848 -12.244
  320    HB2  ALA1935           HB2      ALA1935   9.591  10.515 -10.757
  321    HB3  ALA1935           HB3      ALA1935   9.346   8.811 -11.164
  322    H    MET   1           H1       MET   1   0.697  -5.533 -19.763
  323    HA   MET   1           HA       MET   1   1.637  -3.671 -20.852
  324    HB2  MET   1           HB2      MET   1  -0.727  -2.910 -19.127
  325    HB3  MET   1           HB3      MET   1  -0.159  -1.949 -20.483
  326    HG2  MET   1           HG2      MET   1  -0.610  -3.818 -21.991
  327    HG3  MET   1           HG3      MET   1  -1.188  -4.773 -20.627
  328    HE1  MET   1           HE1      MET   1  -2.862  -4.269 -23.298
  329    HE2  MET   1           HE2      MET   1  -3.462  -5.235 -21.949
  330    HE3  MET   1           HE3      MET   1  -4.466  -3.956 -22.633
  331    H    ALA   2           H        ALA   2   0.875  -2.723 -17.484
  332    HA   ALA   2           HA       ALA   2   2.860  -0.576 -17.727
  333    HB1  ALA   2           HB1      ALA   2   0.611   0.021 -16.931
  334    HB2  ALA   2           HB2      ALA   2   0.813  -1.079 -15.567
  335    HB3  ALA   2           HB3      ALA   2   1.847   0.341 -15.714
  336    H    CYS   3           H        CYS   3   4.296  -0.216 -15.803
  337    HA   CYS   3           HA       CYS   3   5.514  -2.643 -14.927
  338    HB2  CYS   3           HB2      CYS   3   5.967   0.198 -13.978
  339    HB3  CYS   3           HB3      CYS   3   7.028  -1.177 -13.683
  340    HG   CYS   3           HG       CYS   3   6.387  -0.528 -16.921
  341    HA   PRO   4           HA       PRO   4   2.128  -3.378 -12.195
  342    HB2  PRO   4           HB2      PRO   4   4.244  -5.139 -11.007
  343    HB3  PRO   4           HB3      PRO   4   2.553  -5.519 -11.383
  344    HG2  PRO   4           HG2      PRO   4   4.407  -6.374 -13.024
  345    HG3  PRO   4           HG3      PRO   4   2.969  -5.582 -13.703
  346    HD2  PRO   4           HD2      PRO   4   5.723  -4.477 -13.300
  347    HD3  PRO   4           HD3      PRO   4   4.619  -4.275 -14.678
  348    H    LEU   5           H        LEU   5   5.244  -3.558 -10.438
  349    HA   LEU   5           HA       LEU   5   4.022  -2.648  -8.034
  350    HB2  LEU   5           HB2      LEU   5   6.286  -4.032  -8.609
  351    HB3  LEU   5           HB3      LEU   5   6.956  -2.451  -8.269
  352    HG   LEU   5           HG       LEU   5   6.976  -3.910  -6.295
  353   HD11  LEU   5          HD11      LEU   5   5.886  -2.375  -4.716
  354   HD12  LEU   5          HD12      LEU   5   6.860  -1.532  -5.922
  355   HD13  LEU   5          HD13      LEU   5   5.103  -1.565  -6.072
  356   HD21  LEU   5          HD21      LEU   5   3.975  -3.853  -6.558
  357   HD22  LEU   5          HD22      LEU   5   5.019  -5.257  -6.778
  358   HD23  LEU   5          HD23      LEU   5   4.874  -4.506  -5.188
  359    H    GLU   6           H        GLU   6   5.749  -1.127 -10.649
  360    HA   GLU   6           HA       GLU   6   6.324   1.331  -9.475
  361    HB2  GLU   6           HB2      GLU   6   7.251   0.719 -11.624
  362    HB3  GLU   6           HB3      GLU   6   5.648   0.643 -12.337
  363    HG2  GLU   6           HG2      GLU   6   6.374   3.233 -11.152
  364    HG3  GLU   6           HG3      GLU   6   7.328   2.744 -12.551
  365    H    LYS   7           H        LYS   7   3.496   0.267 -11.296
  366    HA   LYS   7           HA       LYS   7   2.082   2.693 -11.052
  367    HB2  LYS   7           HB2      LYS   7   1.393  -0.085 -11.898
  368    HB3  LYS   7           HB3      LYS   7   0.084   1.042 -11.557
  369    HG2  LYS   7           HG2      LYS   7   2.328   1.811 -13.379
  370    HG3  LYS   7           HG3      LYS   7   0.963   0.857 -13.965
  371    HD2  LYS   7           HD2      LYS   7  -0.535   2.574 -13.677
  372    HD3  LYS   7           HD3      LYS   7   0.412   3.324 -12.395
  373    HE2  LYS   7           HE2      LYS   7   1.429   3.244 -15.205
  374    HE3  LYS   7           HE3      LYS   7   0.279   4.480 -14.692
  375    HZ1  LYS   7           HZ1      LYS   7   1.814   5.154 -12.963
  376    HZ2  LYS   7           HZ2      LYS   7   2.561   5.248 -14.483
  377    HZ3  LYS   7           HZ3      LYS   7   2.931   3.962 -13.435
  378    H    ALA   8           H        ALA   8   2.300  -0.132  -8.991
  379    HA   ALA   8           HA       ALA   8   0.058   0.028  -7.439
  380    HB1  ALA   8           HB1      ALA   8   1.343  -0.942  -5.622
  381    HB2  ALA   8           HB2      ALA   8   1.786  -1.677  -7.162
  382    HB3  ALA   8           HB3      ALA   8   2.846  -0.481  -6.418
  383    H    LEU   9           H        LEU   9   3.037   1.933  -6.888
  384    HA   LEU   9           HA       LEU   9   1.793   3.380  -4.724
  385    HB2  LEU   9           HB2      LEU   9   4.371   4.057  -6.142
  386    HB3  LEU   9           HB3      LEU   9   3.834   4.668  -4.592
  387    HG   LEU   9           HG       LEU   9   5.412   3.099  -3.984
  388   HD11  LEU   9          HD11      LEU   9   4.219   1.178  -3.057
  389   HD12  LEU   9          HD12      LEU   9   3.360   2.694  -2.783
  390   HD13  LEU   9          HD13      LEU   9   2.813   1.585  -4.040
  391   HD21  LEU   9          HD21      LEU   9   4.322   1.201  -6.052
  392   HD22  LEU   9          HD22      LEU   9   5.783   2.182  -6.225
  393   HD23  LEU   9          HD23      LEU   9   5.704   0.922  -4.993
  394    H    ASP  10           H        ASP  10   2.632   4.018  -8.074
  395    HA   ASP  10           HA       ASP  10   2.072   6.755  -8.170
  396    HB2  ASP  10           HB2      ASP  10   3.247   5.802  -9.992
  397    HB3  ASP  10           HB3      ASP  10   2.013   4.574 -10.249
  398    H    VAL  11           H        VAL  11  -0.036   3.971  -8.766
  399    HA   VAL  11           HA       VAL  11  -2.237   5.578  -9.590
  400    HB   VAL  11           HB       VAL  11  -3.541   3.587  -9.658
  401   HG11  VAL  11          HG11      VAL  11  -1.894   3.891 -11.421
  402   HG12  VAL  11          HG12      VAL  11  -0.709   2.984 -10.479
  403   HG13  VAL  11          HG13      VAL  11  -2.156   2.178 -11.085
  404   HG21  VAL  11          HG21      VAL  11  -1.332   2.256  -8.095
  405   HG22  VAL  11          HG22      VAL  11  -2.949   2.643  -7.502
  406   HG23  VAL  11          HG23      VAL  11  -2.740   1.444  -8.779
  407    H    MET  12           H        MET  12  -1.105   4.439  -6.491
  408    HA   MET  12           HA       MET  12  -3.477   4.556  -5.029
  409    HB2  MET  12           HB2      MET  12  -0.667   5.259  -4.194
  410    HB3  MET  12           HB3      MET  12  -2.020   5.256  -3.076
  411    HG2  MET  12           HG2      MET  12  -2.305   2.807  -4.073
  412    HG3  MET  12           HG3      MET  12  -0.572   3.006  -4.320
  413    HE1  MET  12           HE1      MET  12  -1.355   0.732  -2.816
  414    HE2  MET  12           HE2      MET  12   0.330   1.140  -2.478
  415    HE3  MET  12           HE3      MET  12  -0.775   0.770  -1.148
  416    H    VAL  13           H        VAL  13  -1.061   7.134  -5.450
  417    HA   VAL  13           HA       VAL  13  -2.807   9.060  -4.256
  418    HB   VAL  13           HB       VAL  13  -1.055  10.717  -4.831
  419   HG11  VAL  13          HG11      VAL  13  -0.064   8.202  -3.491
  420   HG12  VAL  13          HG12      VAL  13   0.635   9.815  -3.315
  421   HG13  VAL  13          HG13      VAL  13  -0.998   9.490  -2.721
  422   HG21  VAL  13          HG21      VAL  13   0.375   8.337  -5.997
  423   HG22  VAL  13          HG22      VAL  13  -0.203   9.750  -6.884
  424   HG23  VAL  13          HG23      VAL  13   1.094   9.920  -5.696
  425    H    SER  14           H        SER  14  -2.200   7.998  -7.500
  426    HA   SER  14           HA       SER  14  -3.291  10.296  -8.791
  427    HB2  SER  14           HB2      SER  14  -3.001   7.453  -9.789
  428    HB3  SER  14           HB3      SER  14  -3.416   8.844 -10.790
  429    HG   SER  14           HG       SER  14  -0.983   8.215  -9.512
  430    H    THR  15           H        THR  15  -4.626   7.042  -8.150
  431    HA   THR  15           HA       THR  15  -7.260   7.664  -8.962
  432    HB   THR  15           HB       THR  15  -6.467   5.557  -6.946
  433    HG1  THR  15           HG1      THR  15  -5.235   4.951  -8.590
  434   HG21  THR  15          HG21      THR  15  -8.690   5.612  -8.986
  435   HG22  THR  15          HG22      THR  15  -8.892   5.945  -7.268
  436   HG23  THR  15          HG23      THR  15  -8.383   4.343  -7.801
  437    H    PHE  16           H        PHE  16  -5.493   7.948  -6.003
  438    HA   PHE  16           HA       PHE  16  -7.332   8.424  -4.049
  439    HB2  PHE  16           HB2      PHE  16  -4.851   8.390  -3.833
  440    HB3  PHE  16           HB3      PHE  16  -4.794   9.990  -4.549
  441    HD1  PHE  16           HD1      PHE  16  -6.433   8.212  -1.715
  442    HD2  PHE  16           HD2      PHE  16  -4.607  11.769  -3.154
  443    HE1  PHE  16           HE1      PHE  16  -6.581   9.193   0.537
  444    HE2  PHE  16           HE2      PHE  16  -4.757  12.759  -0.911
  445    HZ   PHE  16           HZ       PHE  16  -5.742  11.470   0.938
  446    H    HIS  17           H        HIS  17  -5.843  11.018  -6.016
  447    HA   HIS  17           HA       HIS  17  -7.547  13.013  -4.973
  448    HB2  HIS  17           HB2      HIS  17  -5.817  13.043  -7.450
  449    HB3  HIS  17           HB3      HIS  17  -6.606  14.458  -6.762
  450    HD1  HIS  17           HD1      HIS  17  -5.938  14.294  -3.845
  451    HD2  HIS  17           HD2      HIS  17  -3.211  13.261  -6.815
  452    HE1  HIS  17           HE1      HIS  17  -3.674  14.545  -2.804
  453    HE2  HIS  17           HE2      HIS  17  -2.062  13.730  -4.550
  454    H    LYS  18           H        LYS  18  -7.933  10.804  -7.607
  455    HA   LYS  18           HA       LYS  18  -9.688  12.267  -9.238
  456    HB2  LYS  18           HB2      LYS  18  -9.620   9.288  -8.759
  457    HB3  LYS  18           HB3      LYS  18 -10.467  10.082 -10.073
  458    HG2  LYS  18           HG2      LYS  18  -8.309  10.896 -10.933
  459    HG3  LYS  18           HG3      LYS  18  -7.492  10.013  -9.640
  460    HD2  LYS  18           HD2      LYS  18  -8.540   7.929 -10.469
  461    HD3  LYS  18           HD3      LYS  18  -9.224   8.842 -11.813
  462    HE2  LYS  18           HE2      LYS  18  -6.954   9.444 -12.533
  463    HE3  LYS  18           HE3      LYS  18  -6.294   8.485 -11.208
  464    HZ1  LYS  18           HZ1      LYS  18  -6.232   7.138 -13.133
  465    HZ2  LYS  18           HZ2      LYS  18  -7.829   7.525 -13.557
  466    HZ3  LYS  18           HZ3      LYS  18  -7.526   6.552 -12.202
  467    H    TYR  19           H        TYR  19 -10.385   9.963  -6.618
  468    HA   TYR  19           HA       TYR  19 -13.229  10.521  -6.961
  469    HB2  TYR  19           HB2      TYR  19 -11.830   8.381  -5.354
  470    HB3  TYR  19           HB3      TYR  19 -13.576   8.540  -5.525
  471    HD1  TYR  19           HD2      TYR  19 -10.452   7.677  -7.254
  472    HD2  TYR  19           HD1      TYR  19 -14.689   7.871  -7.564
  473    HE1  TYR  19           HE2      TYR  19 -10.359   6.305  -9.288
  474    HE2  TYR  19           HE1      TYR  19 -14.603   6.490  -9.604
  475    HH   TYR  19           HH       TYR  19 -11.779   4.806 -10.564
  476    H    SER  20           H        SER  20 -10.660  11.165  -4.711
  477    HA   SER  20           HA       SER  20 -12.390  11.776  -2.506
  478    HB2  SER  20           HB2      SER  20 -10.326  12.835  -1.521
  479    HB3  SER  20           HB3      SER  20 -10.102  11.160  -2.035
  480    HG   SER  20           HG       SER  20  -8.804  11.773  -3.590
  481    H    GLY  21           H        GLY  21 -10.649  13.676  -4.941
  482    HA2  GLY  21           HA2      GLY  21 -11.789  16.171  -4.074
  483    HA3  GLY  21           HA3      GLY  21 -10.831  15.907  -5.526
  484    H    LYS  22           H        LYS  22 -13.797  14.309  -4.517
  485    HA   LYS  22           HA       LYS  22 -15.058  15.168  -7.024
  486    HB2  LYS  22           HB2      LYS  22 -14.804  12.738  -6.693
  487    HB3  LYS  22           HB3      LYS  22 -15.670  12.851  -5.170
  488    HG2  LYS  22           HG2      LYS  22 -17.686  13.526  -6.364
  489    HG3  LYS  22           HG3      LYS  22 -16.811  13.422  -7.895
  490    HD2  LYS  22           HD2      LYS  22 -17.157  11.117  -5.978
  491    HD3  LYS  22           HD3      LYS  22 -18.198  11.411  -7.373
  492    HE2  LYS  22           HE2      LYS  22 -15.211  11.031  -7.527
  493    HE3  LYS  22           HE3      LYS  22 -16.387   9.739  -7.764
  494    HZ1  LYS  22           HZ1      LYS  22 -17.272  10.871  -9.655
  495    HZ2  LYS  22           HZ2      LYS  22 -15.592  10.751  -9.853
  496    HZ3  LYS  22           HZ3      LYS  22 -16.290  12.223  -9.388
  497    H    GLU  23           H        GLU  23 -16.328  14.069  -3.905
  498    HA   GLU  23           HA       GLU  23 -17.918  16.541  -3.762
  499    HB2  GLU  23           HB2      GLU  23 -18.389  13.747  -2.942
  500    HB3  GLU  23           HB3      GLU  23 -18.956  14.969  -1.815
  501    HG2  GLU  23           HG2      GLU  23 -20.685  14.258  -3.374
  502    HG3  GLU  23           HG3      GLU  23 -20.326  15.973  -3.522
  503    H    GLY  24           H        GLY  24 -15.628  14.525  -2.006
  504    HA2  GLY  24           HA2      GLY  24 -15.659  16.382   0.258
  505    HA3  GLY  24           HA3      GLY  24 -14.823  14.838   0.194
  506    H    ASP  25           H        ASP  25 -13.004  16.001   1.083
  507    HA   ASP  25           HA       ASP  25 -11.632  17.926  -0.591
  508    HB2  ASP  25           HB2      ASP  25 -11.481  17.961   1.909
  509    HB3  ASP  25           HB3      ASP  25 -10.604  16.436   1.841
  510    H    LYS  26           H        LYS  26  -9.560  17.551  -1.552
  511    HA   LYS  26           HA       LYS  26  -9.617  15.150  -3.071
  512    HB2  LYS  26           HB2      LYS  26  -7.484  16.085  -4.060
  513    HB3  LYS  26           HB3      LYS  26  -8.928  17.076  -4.222
  514    HG2  LYS  26           HG2      LYS  26  -8.132  18.706  -2.881
  515    HG3  LYS  26           HG3      LYS  26  -7.242  17.580  -1.853
  516    HD2  LYS  26           HD2      LYS  26  -5.765  19.057  -3.168
  517    HD3  LYS  26           HD3      LYS  26  -5.529  17.346  -3.517
  518    HE2  LYS  26           HE2      LYS  26  -6.804  17.532  -5.552
  519    HE3  LYS  26           HE3      LYS  26  -7.220  19.206  -5.177
  520    HZ1  LYS  26           HZ1      LYS  26  -4.893  19.800  -5.370
  521    HZ2  LYS  26           HZ2      LYS  26  -5.434  19.061  -6.798
  522    HZ3  LYS  26           HZ3      LYS  26  -4.478  18.190  -5.705
  523    H    PHE  27           H        PHE  27  -8.395  15.595  -0.004
  524    HA   PHE  27           HA       PHE  27  -6.869  13.131  -0.452
  525    HB2  PHE  27           HB2      PHE  27  -5.419  13.719   1.512
  526    HB3  PHE  27           HB3      PHE  27  -5.168  14.688   0.069
  527    HD1  PHE  27           HD2      PHE  27  -7.178  14.771   3.220
  528    HD2  PHE  27           HD1      PHE  27  -4.906  16.923   0.331
  529    HE1  PHE  27           HE2      PHE  27  -7.405  16.820   4.567
  530    HE2  PHE  27           HE1      PHE  27  -5.131  18.973   1.673
  531    HZ   PHE  27           HZ       PHE  27  -6.383  18.923   3.794
  532    H    LYS  28           H        LYS  28  -9.643  14.137   0.594
  533    HA   LYS  28           HA       LYS  28  -9.748  12.114   2.725
  534    HB2  LYS  28           HB2      LYS  28 -11.380  14.639   2.381
  535    HB3  LYS  28           HB3      LYS  28 -11.834  13.349   3.480
  536    HG2  LYS  28           HG2      LYS  28  -9.305  14.971   3.611
  537    HG3  LYS  28           HG3      LYS  28 -10.717  15.138   4.661
  538    HD2  LYS  28           HD2      LYS  28 -10.360  12.646   5.173
  539    HD3  LYS  28           HD3      LYS  28  -8.753  12.887   4.478
  540    HE2  LYS  28           HE2      LYS  28  -9.920  14.491   6.742
  541    HE3  LYS  28           HE3      LYS  28  -8.834  13.122   6.949
  542    HZ1  LYS  28           HZ1      LYS  28  -7.663  15.220   7.087
  543    HZ2  LYS  28           HZ2      LYS  28  -8.182  15.646   5.534
  544    HZ3  LYS  28           HZ3      LYS  28  -7.127  14.329   5.744
  545    H    LEU  29           H        LEU  29 -10.708  10.352   2.086
  546    HA   LEU  29           HA       LEU  29 -12.873  10.586   0.105
  547    HB2  LEU  29           HB2      LEU  29 -11.174   8.209   0.845
  548    HB3  LEU  29           HB3      LEU  29 -12.570   8.121  -0.210
  549    HG   LEU  29           HG       LEU  29 -11.214   9.999  -1.523
  550   HD11  LEU  29          HD11      LEU  29  -9.087   8.379  -0.133
  551   HD12  LEU  29          HD12      LEU  29  -8.811   9.445  -1.509
  552   HD13  LEU  29          HD13      LEU  29  -9.365  10.111   0.028
  553   HD21  LEU  29          HD21      LEU  29 -10.658   7.043  -1.696
  554   HD22  LEU  29          HD22      LEU  29 -12.026   7.886  -2.426
  555   HD23  LEU  29          HD23      LEU  29 -10.385   8.229  -2.974
  556    H    ASN  30           H        ASN  30 -14.730  10.826   1.177
  557    HA   ASN  30           HA       ASN  30 -15.279   9.284   3.553
  558    HB2  ASN  30           HB2      ASN  30 -17.440  10.347   3.590
  559    HB3  ASN  30           HB3      ASN  30 -16.239  11.576   3.215
  560   HD21  ASN  30          HD21      ASN  30 -16.251  12.558   1.230
  561   HD22  ASN  30          HD22      ASN  30 -17.536  12.346   0.083
  562    H    LYS  31           H        LYS  31 -17.784   8.389   3.284
  563    HA   LYS  31           HA       LYS  31 -17.545   5.865   2.336
  564    HB2  LYS  31           HB2      LYS  31 -20.082   7.498   2.391
  565    HB3  LYS  31           HB3      LYS  31 -20.001   5.743   2.329
  566    HG2  LYS  31           HG2      LYS  31 -18.980   5.663   4.508
  567    HG3  LYS  31           HG3      LYS  31 -18.889   7.426   4.563
  568    HD2  LYS  31           HD2      LYS  31 -21.316   7.573   4.521
  569    HD3  LYS  31           HD3      LYS  31 -21.437   5.818   4.393
  570    HE2  LYS  31           HE2      LYS  31 -20.516   5.528   6.579
  571    HE3  LYS  31           HE3      LYS  31 -20.118   7.240   6.697
  572    HZ1  LYS  31           HZ1      LYS  31 -22.137   6.647   7.936
  573    HZ2  LYS  31           HZ2      LYS  31 -22.879   6.159   6.492
  574    HZ3  LYS  31           HZ3      LYS  31 -22.443   7.783   6.715
  575    H    SER  32           H        SER  32 -19.067   8.524   0.468
  576    HA   SER  32           HA       SER  32 -19.711   6.803  -1.714
  577    HB2  SER  32           HB2      SER  32 -20.248   9.001  -2.867
  578    HB3  SER  32           HB3      SER  32 -21.111   8.692  -1.361
  579    HG   SER  32           HG       SER  32 -18.892  10.420  -1.799
  580    H    GLU  33           H        GLU  33 -16.921   8.751  -0.942
  581    HA   GLU  33           HA       GLU  33 -15.980   8.990  -3.649
  582    HB2  GLU  33           HB2      GLU  33 -14.232   9.215  -1.199
  583    HB3  GLU  33           HB3      GLU  33 -14.075  10.054  -2.738
  584    HG2  GLU  33           HG2      GLU  33 -16.113  10.568  -0.587
  585    HG3  GLU  33           HG3      GLU  33 -14.769  11.602  -1.051
  586    H    LEU  34           H        LEU  34 -15.079   7.082  -0.803
  587    HA   LEU  34           HA       LEU  34 -13.235   5.386  -2.068
  588    HB2  LEU  34           HB2      LEU  34 -14.954   5.163   0.370
  589    HB3  LEU  34           HB3      LEU  34 -14.064   3.764  -0.196
  590    HG   LEU  34           HG       LEU  34 -12.756   6.396   0.449
  591   HD11  LEU  34          HD11      LEU  34 -12.034   5.280   2.530
  592   HD12  LEU  34          HD12      LEU  34 -13.776   5.552   2.453
  593   HD13  LEU  34          HD13      LEU  34 -13.122   3.940   2.157
  594   HD21  LEU  34          HD21      LEU  34 -10.724   5.073   0.444
  595   HD22  LEU  34          HD22      LEU  34 -11.649   3.615   0.086
  596   HD23  LEU  34          HD23      LEU  34 -11.561   4.917  -1.100
  597    H    LYS  35           H        LYS  35 -16.732   5.144  -1.594
  598    HA   LYS  35           HA       LYS  35 -17.258   2.662  -2.563
  599    HB2  LYS  35           HB2      LYS  35 -18.923   4.229  -1.637
  600    HB3  LYS  35           HB3      LYS  35 -18.829   5.182  -3.113
  601    HG2  LYS  35           HG2      LYS  35 -19.727   3.372  -4.398
  602    HG3  LYS  35           HG3      LYS  35 -19.698   2.311  -2.987
  603    HD2  LYS  35           HD2      LYS  35 -21.208   4.043  -1.874
  604    HD3  LYS  35           HD3      LYS  35 -21.436   4.703  -3.499
  605    HE2  LYS  35           HE2      LYS  35 -22.220   2.537  -4.270
  606    HE3  LYS  35           HE3      LYS  35 -21.955   1.876  -2.654
  607    HZ1  LYS  35           HZ1      LYS  35 -23.909   3.972  -3.432
  608    HZ2  LYS  35           HZ2      LYS  35 -23.588   3.529  -1.826
  609    HZ3  LYS  35           HZ3      LYS  35 -24.265   2.400  -2.903
  610    H    GLU  36           H        GLU  36 -17.214   5.632  -4.549
  611    HA   GLU  36           HA       GLU  36 -17.631   4.260  -6.963
  612    HB2  GLU  36           HB2      GLU  36 -17.895   6.764  -6.491
  613    HB3  GLU  36           HB3      GLU  36 -16.159   6.873  -6.767
  614    HG2  GLU  36           HG2      GLU  36 -16.428   5.968  -8.984
  615    HG3  GLU  36           HG3      GLU  36 -18.161   5.791  -8.729
  616    H    LEU  37           H        LEU  37 -14.702   5.247  -5.293
  617    HA   LEU  37           HA       LEU  37 -12.801   4.580  -7.220
  618    HB2  LEU  37           HB2      LEU  37 -12.521   5.749  -4.965
  619    HB3  LEU  37           HB3      LEU  37 -12.470   4.145  -4.262
  620    HG   LEU  37           HG       LEU  37 -10.575   4.649  -6.478
  621   HD11  LEU  37          HD11      LEU  37 -10.472   6.760  -5.267
  622   HD12  LEU  37          HD12      LEU  37 -10.256   5.889  -3.748
  623   HD13  LEU  37          HD13      LEU  37  -9.012   5.807  -4.996
  624   HD21  LEU  37          HD21      LEU  37 -10.644   2.519  -5.277
  625   HD22  LEU  37          HD22      LEU  37  -9.107   3.347  -5.024
  626   HD23  LEU  37          HD23      LEU  37 -10.336   3.361  -3.759
  627    H    LEU  38           H        LEU  38 -14.123   2.585  -4.595
  628    HA   LEU  38           HA       LEU  38 -12.790   0.220  -5.373
  629    HB2  LEU  38           HB2      LEU  38 -15.094   0.834  -3.573
  630    HB3  LEU  38           HB3      LEU  38 -14.740  -0.835  -3.980
  631    HG   LEU  38           HG       LEU  38 -12.304   0.395  -3.169
  632   HD11  LEU  38          HD11      LEU  38 -13.647   2.073  -2.032
  633   HD12  LEU  38          HD12      LEU  38 -14.577   0.805  -1.233
  634   HD13  LEU  38          HD13      LEU  38 -12.864   1.006  -0.868
  635   HD21  LEU  38          HD21      LEU  38 -14.083  -1.633  -1.821
  636   HD22  LEU  38          HD22      LEU  38 -12.831  -1.979  -3.014
  637   HD23  LEU  38          HD23      LEU  38 -12.389  -1.329  -1.434
  638    H    THR  39           H        THR  39 -15.997   1.490  -6.148
  639    HA   THR  39           HA       THR  39 -16.984  -0.831  -7.402
  640    HB   THR  39           HB       THR  39 -18.615   0.594  -8.561
  641    HG1  THR  39           HG1      THR  39 -16.744   2.537  -8.014
  642   HG21  THR  39          HG21      THR  39 -18.187   1.441  -5.699
  643   HG22  THR  39          HG22      THR  39 -19.025  -0.019  -6.224
  644   HG23  THR  39          HG23      THR  39 -19.694   1.566  -6.607
  645    H    ARG  40           H        ARG  40 -14.817   1.631  -8.517
  646    HA   ARG  40           HA       ARG  40 -15.166   0.915 -11.302
  647    HB2  ARG  40           HB2      ARG  40 -13.491   2.980  -9.893
  648    HB3  ARG  40           HB3      ARG  40 -13.359   2.677 -11.621
  649    HG2  ARG  40           HG2      ARG  40 -15.845   3.556 -10.166
  650    HG3  ARG  40           HG3      ARG  40 -14.809   4.573 -11.170
  651    HD2  ARG  40           HD2      ARG  40 -16.381   2.168 -12.088
  652    HD3  ARG  40           HD3      ARG  40 -16.784   3.856 -12.404
  653    HE   ARG  40           HE       ARG  40 -14.315   3.681 -13.443
  654   HH11  ARG  40          HH12      ARG  40 -17.114   1.595 -13.789
  655   HH12  ARG  40          HH11      ARG  40 -16.705   1.104 -15.407
  656   HH21  ARG  40          HH22      ARG  40 -13.781   3.041 -15.562
  657   HH22  ARG  40          HH21      ARG  40 -14.811   1.936 -16.422
  658    H    GLU  41           H        GLU  41 -12.311   1.148  -9.147
  659    HA   GLU  41           HA       GLU  41 -10.945  -0.632 -11.020
  660    HB2  GLU  41           HB2      GLU  41 -10.021   1.395  -9.051
  661    HB3  GLU  41           HB3      GLU  41  -8.936   0.084  -9.484
  662    HG2  GLU  41           HG2      GLU  41  -8.403   1.880 -10.878
  663    HG3  GLU  41           HG3      GLU  41  -9.277   0.726 -11.880
  664    H    LEU  42           H        LEU  42 -12.437  -0.842  -7.970
  665    HA   LEU  42           HA       LEU  42 -10.926  -3.334  -7.487
  666    HB2  LEU  42           HB2      LEU  42 -12.216  -1.619  -5.362
  667    HB3  LEU  42           HB3      LEU  42 -11.286  -3.079  -5.097
  668    HG   LEU  42           HG       LEU  42  -9.361  -1.727  -6.242
  669   HD11  LEU  42          HD11      LEU  42 -10.703   0.201  -6.893
  670   HD12  LEU  42          HD12      LEU  42 -11.145   0.488  -5.207
  671   HD13  LEU  42          HD13      LEU  42  -9.461   0.669  -5.722
  672   HD21  LEU  42          HD21      LEU  42  -9.340  -2.563  -3.956
  673   HD22  LEU  42          HD22      LEU  42  -8.665  -0.935  -4.038
  674   HD23  LEU  42          HD23      LEU  42 -10.302  -1.182  -3.432
  675    HA   PRO  43           HA       PRO  43 -15.667  -3.754  -7.713
  676    HB2  PRO  43           HB2      PRO  43 -16.030  -4.978 -10.096
  677    HB3  PRO  43           HB3      PRO  43 -15.970  -3.220  -9.923
  678    HG2  PRO  43           HG2      PRO  43 -13.878  -5.105 -10.894
  679    HG3  PRO  43           HG3      PRO  43 -14.264  -3.469 -11.452
  680    HD2  PRO  43           HD2      PRO  43 -12.168  -4.102  -9.776
  681    HD3  PRO  43           HD3      PRO  43 -12.915  -2.499  -9.886
  682    H    SER  44           H        SER  44 -13.056  -5.924  -8.452
  683    HA   SER  44           HA       SER  44 -14.515  -8.324  -7.924
  684    HB2  SER  44           HB2      SER  44 -11.518  -7.892  -7.806
  685    HB3  SER  44           HB3      SER  44 -12.365  -9.426  -8.018
  686    HG   SER  44           HG       SER  44 -11.465  -8.145  -9.941
  687    H    PHE  45           H        PHE  45 -13.114  -5.847  -6.034
  688    HA   PHE  45           HA       PHE  45 -13.066  -7.512  -3.631
  689    HB2  PHE  45           HB2      PHE  45 -12.227  -4.632  -4.037
  690    HB3  PHE  45           HB3      PHE  45 -12.050  -5.545  -2.542
  691    HD1  PHE  45           HD1      PHE  45 -10.697  -7.770  -2.741
  692    HD2  PHE  45           HD2      PHE  45 -10.472  -4.563  -5.527
  693    HE1  PHE  45           HE1      PHE  45  -8.503  -8.586  -3.498
  694    HE2  PHE  45           HE2      PHE  45  -8.277  -5.371  -6.288
  695    HZ   PHE  45           HZ       PHE  45  -7.291  -7.388  -5.275
  696    H    LEU  46           H        LEU  46 -15.389  -6.119  -5.306
  697    HA   LEU  46           HA       LEU  46 -16.871  -5.435  -2.858
  698    HB2  LEU  46           HB2      LEU  46 -17.401  -4.458  -5.664
  699    HB3  LEU  46           HB3      LEU  46 -18.410  -4.120  -4.266
  700    HG   LEU  46           HG       LEU  46 -15.596  -3.157  -4.755
  701   HD11  LEU  46          HD11      LEU  46 -18.239  -1.739  -4.482
  702   HD12  LEU  46          HD12      LEU  46 -16.669  -0.955  -4.669
  703   HD13  LEU  46          HD13      LEU  46 -17.316  -1.957  -5.968
  704   HD21  LEU  46          HD21      LEU  46 -15.835  -1.952  -2.621
  705   HD22  LEU  46          HD22      LEU  46 -17.342  -2.819  -2.318
  706   HD23  LEU  46          HD23      LEU  46 -15.819  -3.705  -2.404
  707    H    GLY  47           H        GLY  47 -16.617  -7.525  -5.543
  708    HA2  GLY  47           HA2      GLY  47 -17.783  -9.412  -6.119
  709    HA3  GLY  47           HA3      GLY  47 -18.436  -9.369  -4.491
  710    H    LYS  48           H        LYS  48 -19.070  -6.579  -6.349
  711    HA   LYS  48           HA       LYS  48 -20.850  -5.767  -7.482
  712    HB2  LYS  48           HB2      LYS  48 -21.442  -8.681  -7.804
  713    HB3  LYS  48           HB3      LYS  48 -22.614  -7.474  -8.305
  714    HG2  LYS  48           HG2      LYS  48 -21.329  -8.134 -10.202
  715    HG3  LYS  48           HG3      LYS  48 -20.893  -6.480  -9.775
  716    HD2  LYS  48           HD2      LYS  48 -18.798  -7.068  -9.066
  717    HD3  LYS  48           HD3      LYS  48 -19.286  -8.706  -8.641
  718    HE2  LYS  48           HE2      LYS  48 -19.495  -9.221 -11.057
  719    HE3  LYS  48           HE3      LYS  48 -18.897  -7.603 -11.420
  720    HZ1  LYS  48           HZ1      LYS  48 -17.196  -9.390 -11.523
  721    HZ2  LYS  48           HZ2      LYS  48 -17.366  -9.600  -9.846
  722    HZ3  LYS  48           HZ3      LYS  48 -16.806  -8.124 -10.467
  723    H    ARG  49           H        ARG  49 -20.989  -7.107  -4.518
  724    HA   ARG  49           HA       ARG  49 -23.752  -6.198  -4.116
  725    HB2  ARG  49           HB2      ARG  49 -24.145  -8.014  -2.535
  726    HB3  ARG  49           HB3      ARG  49 -23.726  -8.638  -4.124
  727    HG2  ARG  49           HG2      ARG  49 -21.585  -9.295  -3.429
  728    HG3  ARG  49           HG3      ARG  49 -21.685  -8.334  -1.950
  729    HD2  ARG  49           HD2      ARG  49 -21.985 -10.679  -1.432
  730    HD3  ARG  49           HD3      ARG  49 -23.482  -9.798  -1.137
  731    HE   ARG  49           HE       ARG  49 -22.981 -11.538  -3.471
  732   HH11  ARG  49          HH12      ARG  49 -25.154 -10.017  -1.173
  733   HH12  ARG  49          HH11      ARG  49 -26.551 -10.897  -1.718
  734   HH21  ARG  49          HH22      ARG  49 -24.811 -12.718  -4.164
  735   HH22  ARG  49          HH21      ARG  49 -26.364 -12.408  -3.435
  736    H    THR  50           H        THR  50 -21.265  -4.796  -3.673
  737    HA   THR  50           HA       THR  50 -21.353  -4.524  -0.743
  738    HB   THR  50           HB       THR  50 -19.203  -3.544  -2.621
  739    HG1  THR  50           HG1      THR  50 -19.207  -5.839  -2.350
  740   HG21  THR  50          HG21      THR  50 -19.337  -3.611   0.389
  741   HG22  THR  50          HG22      THR  50 -19.443  -2.167  -0.619
  742   HG23  THR  50          HG23      THR  50 -17.951  -3.105  -0.574
  743    H    ASP  51           H        ASP  51 -22.990  -3.240  -0.399
  744    HA   ASP  51           HA       ASP  51 -23.035  -0.601  -1.692
  745    HB2  ASP  51           HB2      ASP  51 -25.129  -1.908   0.068
  746    HB3  ASP  51           HB3      ASP  51 -25.296  -0.374  -0.774
  747    H    GLU  52           H        GLU  52 -24.437   0.676   0.401
  748    HA   GLU  52           HA       GLU  52 -22.371   1.647   1.993
  749    HB2  GLU  52           HB2      GLU  52 -25.323   1.672   2.647
  750    HB3  GLU  52           HB3      GLU  52 -24.101   2.773   3.268
  751    HG2  GLU  52           HG2      GLU  52 -24.938   2.553   0.383
  752    HG3  GLU  52           HG3      GLU  52 -25.484   3.788   1.516
  753    H    ALA  53           H        ALA  53 -24.436  -1.110   2.400
  754    HA   ALA  53           HA       ALA  53 -24.196  -1.545   5.157
  755    HB1  ALA  53           HB1      ALA  53 -25.823  -2.702   3.746
  756    HB2  ALA  53           HB2      ALA  53 -24.515  -3.595   2.970
  757    HB3  ALA  53           HB3      ALA  53 -24.853  -3.838   4.683
  758    H    ALA  54           H        ALA  54 -22.411  -3.332   2.586
  759    HA   ALA  54           HA       ALA  54 -20.560  -4.417   4.443
  760    HB1  ALA  54           HB1      ALA  54 -19.194  -5.010   2.438
  761    HB2  ALA  54           HB2      ALA  54 -20.875  -5.574   2.377
  762    HB3  ALA  54           HB3      ALA  54 -20.386  -4.154   1.448
  763    H    PHE  55           H        PHE  55 -20.634  -1.460   2.589
  764    HA   PHE  55           HA       PHE  55 -17.908  -0.810   2.756
  765    HB2  PHE  55           HB2      PHE  55 -20.398   0.649   2.150
  766    HB3  PHE  55           HB3      PHE  55 -19.066   1.639   2.741
  767    HD1  PHE  55           HD2      PHE  55 -20.233  -0.526   0.003
  768    HD2  PHE  55           HD1      PHE  55 -17.044   1.896   1.477
  769    HE1  PHE  55           HE2      PHE  55 -19.196  -0.519  -2.227
  770    HE2  PHE  55           HE1      PHE  55 -16.008   1.887  -0.752
  771    HZ   PHE  55           HZ       PHE  55 -17.083   0.681  -2.606
  772    H    GLN  56           H        GLN  56 -20.324  -0.879   5.168
  773    HA   GLN  56           HA       GLN  56 -19.415   1.050   6.967
  774    HB2  GLN  56           HB2      GLN  56 -21.541  -0.176   7.211
  775    HB3  GLN  56           HB3      GLN  56 -20.646  -1.644   7.580
  776    HG2  GLN  56           HG2      GLN  56 -19.685  -0.473   9.558
  777    HG3  GLN  56           HG3      GLN  56 -20.773   0.872   9.220
  778   HE21  GLN  56          HE21      GLN  56 -22.990   0.606   9.528
  779   HE22  GLN  56          HE22      GLN  56 -23.632  -0.706  10.470
  780    H    LYS  57           H        LYS  57 -18.430  -2.382   6.651
  781    HA   LYS  57           HA       LYS  57 -16.650  -2.238   8.882
  782    HB2  LYS  57           HB2      LYS  57 -17.521  -4.275   7.001
  783    HB3  LYS  57           HB3      LYS  57 -15.795  -4.377   7.317
  784    HG2  LYS  57           HG2      LYS  57 -17.827  -4.256   9.524
  785    HG3  LYS  57           HG3      LYS  57 -17.337  -5.771   8.771
  786    HD2  LYS  57           HD2      LYS  57 -15.914  -5.685  10.583
  787    HD3  LYS  57           HD3      LYS  57 -14.910  -4.939   9.337
  788    HE2  LYS  57           HE2      LYS  57 -15.402  -2.750  10.174
  789    HE3  LYS  57           HE3      LYS  57 -16.606  -3.388  11.294
  790    HZ1  LYS  57           HZ1      LYS  57 -13.689  -3.952  11.382
  791    HZ2  LYS  57           HZ2      LYS  57 -14.844  -4.557  12.460
  792    HZ3  LYS  57           HZ3      LYS  57 -14.521  -2.896  12.417
  793    H    LEU  58           H        LEU  58 -16.312  -2.040   5.399
  794    HA   LEU  58           HA       LEU  58 -13.519  -1.916   5.219
  795    HB2  LEU  58           HB2      LEU  58 -14.869  -2.173   3.246
  796    HB3  LEU  58           HB3      LEU  58 -15.691  -0.653   3.548
  797    HG   LEU  58           HG       LEU  58 -13.721   0.604   3.021
  798   HD11  LEU  58          HD11      LEU  58 -11.631  -0.498   2.346
  799   HD12  LEU  58          HD12      LEU  58 -12.061  -0.833   4.025
  800   HD13  LEU  58          HD13      LEU  58 -12.326  -2.059   2.786
  801   HD21  LEU  58          HD21      LEU  58 -13.294  -0.236   0.671
  802   HD22  LEU  58          HD22      LEU  58 -14.372  -1.575   1.053
  803   HD23  LEU  58          HD23      LEU  58 -14.976   0.080   1.098
  804    H    MET  59           H        MET  59 -15.695   0.834   4.884
  805    HA   MET  59           HA       MET  59 -14.164   2.970   5.362
  806    HB2  MET  59           HB2      MET  59 -16.781   2.657   5.161
  807    HB3  MET  59           HB3      MET  59 -16.715   2.810   6.912
  808    HG2  MET  59           HG2      MET  59 -17.140   4.959   6.039
  809    HG3  MET  59           HG3      MET  59 -15.459   4.946   6.582
  810    HE1  MET  59           HE1      MET  59 -14.177   6.867   3.751
  811    HE2  MET  59           HE2      MET  59 -15.453   7.312   4.893
  812    HE3  MET  59           HE3      MET  59 -14.075   6.348   5.435
  813    H    SER  60           H        SER  60 -15.584   0.971   7.926
  814    HA   SER  60           HA       SER  60 -14.676   2.492  10.105
  815    HB2  SER  60           HB2      SER  60 -16.479   0.737  10.130
  816    HB3  SER  60           HB3      SER  60 -15.197  -0.474  10.047
  817    HG   SER  60           HG       SER  60 -16.140   0.271  12.211
  818    H    ASN  61           H        ASN  61 -13.339  -0.500   8.687
  819    HA   ASN  61           HA       ASN  61 -11.182  -0.717  10.533
  820    HB2  ASN  61           HB2      ASN  61 -11.743  -1.911   7.833
  821    HB3  ASN  61           HB3      ASN  61 -10.245  -2.235   8.693
  822   HD21  ASN  61          HD21      ASN  61 -12.267  -4.099   7.910
  823   HD22  ASN  61          HD22      ASN  61 -12.832  -4.855   9.367
  824    H    LEU  62           H        LEU  62 -11.576   0.591   7.349
  825    HA   LEU  62           HA       LEU  62  -8.984   1.514   6.841
  826    HB2  LEU  62           HB2      LEU  62 -11.468   1.650   5.630
  827    HB3  LEU  62           HB3      LEU  62 -11.089   3.330   5.969
  828    HG   LEU  62           HG       LEU  62  -9.061   3.190   4.703
  829   HD11  LEU  62          HD11      LEU  62  -8.617   1.015   3.479
  830   HD12  LEU  62          HD12      LEU  62  -8.263   1.042   5.210
  831   HD13  LEU  62          HD13      LEU  62  -9.740   0.276   4.623
  832   HD21  LEU  62          HD21      LEU  62 -11.119   3.606   3.444
  833   HD22  LEU  62          HD22      LEU  62  -9.952   2.698   2.483
  834   HD23  LEU  62          HD23      LEU  62 -11.326   1.870   3.214
  835    H    ASP  63           H        ASP  63 -11.734   3.346   8.076
  836    HA   ASP  63           HA       ASP  63 -10.222   5.682   8.673
  837    HB2  ASP  63           HB2      ASP  63 -12.588   5.719   8.012
  838    HB3  ASP  63           HB3      ASP  63 -13.015   4.819   9.456
  839    H    SER  64           H        SER  64  -8.601   5.155  10.096
  840    HA   SER  64           HA       SER  64  -9.139   3.529  12.418
  841    HB2  SER  64           HB2      SER  64  -6.757   3.506  12.729
  842    HB3  SER  64           HB3      SER  64  -7.045   3.384  10.997
  843    HG   SER  64           HG       SER  64  -6.691   5.679  10.883
  844    H    ASN  65           H        ASN  65  -8.685   6.902  11.654
  845    HA   ASN  65           HA       ASN  65  -8.455   7.692  14.424
  846    HB2  ASN  65           HB2      ASN  65  -8.655  10.027  13.510
  847    HB3  ASN  65           HB3      ASN  65  -7.314   9.092  12.873
  848   HD21  ASN  65          HD21      ASN  65 -10.657   8.723  11.821
  849   HD22  ASN  65          HD22      ASN  65 -10.403   9.314  10.220
  850    H    ARG  66           H        ARG  66 -10.960   6.763  12.455
  851    HA   ARG  66           HA       ARG  66 -13.196   6.730  12.621
  852    HB2  ARG  66           HB2      ARG  66 -12.531   7.268  15.503
  853    HB3  ARG  66           HB3      ARG  66 -14.170   6.956  14.938
  854    HG2  ARG  66           HG2      ARG  66 -11.806   5.107  14.724
  855    HG3  ARG  66           HG3      ARG  66 -13.218   4.915  15.768
  856    HD2  ARG  66           HD2      ARG  66 -13.324   5.001  12.756
  857    HD3  ARG  66           HD3      ARG  66 -13.274   3.515  13.704
  858    HE   ARG  66           HE       ARG  66 -15.405   4.305  14.726
  859   HH11  ARG  66          HH12      ARG  66 -14.466   5.501  11.553
  860   HH12  ARG  66          HH11      ARG  66 -16.109   5.736  11.035
  861   HH21  ARG  66          HH22      ARG  66 -17.537   4.628  14.035
  862   HH22  ARG  66          HH21      ARG  66 -17.849   5.235  12.436
  863    H    ASP  67           H        ASP  67 -13.068   8.647  11.236
  864    HA   ASP  67           HA       ASP  67 -14.800  10.686  12.463
  865    HB2  ASP  67           HB2      ASP  67 -12.462  11.573  11.999
  866    HB3  ASP  67           HB3      ASP  67 -12.800  11.329  10.287
  867    H    ASN  68           H        ASN  68 -14.473   8.228  10.364
  868    HA   ASN  68           HA       ASN  68 -15.661   7.366   8.656
  869    HB2  ASN  68           HB2      ASN  68 -17.536   9.616   9.343
  870    HB3  ASN  68           HB3      ASN  68 -17.843   8.547   7.976
  871   HD21  ASN  68          HD21      ASN  68 -19.524   8.810  10.215
  872   HD22  ASN  68          HD22      ASN  68 -19.543   7.292  11.047
  873    H    GLU  69           H        GLU  69 -13.640   9.575   8.359
  874    HA   GLU  69           HA       GLU  69 -14.029   9.828   5.474
  875    HB2  GLU  69           HB2      GLU  69 -13.405  12.075   7.368
  876    HB3  GLU  69           HB3      GLU  69 -12.831  12.124   5.707
  877    HG2  GLU  69           HG2      GLU  69 -15.175  11.854   4.946
  878    HG3  GLU  69           HG3      GLU  69 -15.689  11.972   6.630
  879    H    VAL  70           H        VAL  70 -12.450   8.726   4.602
  880    HA   VAL  70           HA       VAL  70 -10.106   8.030   6.078
  881    HB   VAL  70           HB       VAL  70 -10.992   7.454   3.262
  882   HG11  VAL  70          HG11      VAL  70  -8.459   6.510   4.586
  883   HG12  VAL  70          HG12      VAL  70  -9.085   5.954   3.033
  884   HG13  VAL  70          HG13      VAL  70  -8.562   7.626   3.225
  885   HG21  VAL  70          HG21      VAL  70 -11.132   5.165   4.109
  886   HG22  VAL  70          HG22      VAL  70 -10.600   5.726   5.693
  887   HG23  VAL  70          HG23      VAL  70 -12.147   6.267   5.041
  888    H    ASP  71           H        ASP  71  -8.562   9.406   6.403
  889    HA   ASP  71           HA       ASP  71  -7.754  11.412   4.510
  890    HB2  ASP  71           HB2      ASP  71  -7.504  11.733   6.958
  891    HB3  ASP  71           HB3      ASP  71  -6.375  10.379   7.012
  892    H    PHE  72           H        PHE  72  -5.347  11.414   3.828
  893    HA   PHE  72           HA       PHE  72  -4.789   9.249   2.181
  894    HB2  PHE  72           HB2      PHE  72  -3.767  11.564   2.103
  895    HB3  PHE  72           HB3      PHE  72  -2.676  11.030   3.384
  896    HD1  PHE  72           HD1      PHE  72  -4.001   9.163   0.495
  897    HD2  PHE  72           HD2      PHE  72  -0.594  10.868   2.368
  898    HE1  PHE  72           HE1      PHE  72  -2.584   8.107  -1.184
  899    HE2  PHE  72           HE2      PHE  72   0.844   9.848   0.681
  900    HZ   PHE  72           HZ       PHE  72  -0.130   8.434  -1.079
  901    H    GLN  73           H        GLN  73  -3.844   9.868   5.486
  902    HA   GLN  73           HA       GLN  73  -2.071   7.811   6.004
  903    HB2  GLN  73           HB2      GLN  73  -4.233   8.998   7.747
  904    HB3  GLN  73           HB3      GLN  73  -3.039   7.855   8.341
  905    HG2  GLN  73           HG2      GLN  73  -2.452  10.563   7.162
  906    HG3  GLN  73           HG3      GLN  73  -2.431  10.147   8.879
  907   HE21  GLN  73          HE21      GLN  73  -0.828   9.821   5.837
  908   HE22  GLN  73          HE22      GLN  73   0.632   9.123   6.437
  909    H    GLU  74           H        GLU  74  -5.624   7.745   6.157
  910    HA   GLU  74           HA       GLU  74  -5.678   4.998   6.993
  911    HB2  GLU  74           HB2      GLU  74  -8.068   6.397   5.859
  912    HB3  GLU  74           HB3      GLU  74  -7.973   5.280   7.213
  913    HG2  GLU  74           HG2      GLU  74  -6.972   8.117   7.248
  914    HG3  GLU  74           HG3      GLU  74  -8.528   7.589   7.876
  915    H    TYR  75           H        TYR  75  -5.204   6.564   4.101
  916    HA   TYR  75           HA       TYR  75  -6.676   4.694   2.449
  917    HB2  TYR  75           HB2      TYR  75  -6.562   7.175   1.997
  918    HB3  TYR  75           HB3      TYR  75  -4.880   6.941   1.546
  919    HD1  TYR  75           HD1      TYR  75  -4.399   5.253  -0.332
  920    HD2  TYR  75           HD2      TYR  75  -8.250   6.906   0.436
  921    HE1  TYR  75           HE1      TYR  75  -5.100   4.621  -2.607
  922    HE2  TYR  75           HE2      TYR  75  -8.960   6.276  -1.852
  923    HH   TYR  75           HH       TYR  75  -7.186   4.154  -3.808
  924    H    CYS  76           H        CYS  76  -3.294   5.439   3.245
  925    HA   CYS  76           HA       CYS  76  -2.099   3.848   1.252
  926    HB2  CYS  76           HB2      CYS  76  -0.101   3.854   2.629
  927    HB3  CYS  76           HB3      CYS  76  -0.839   5.436   2.695
  928    HG   CYS  76           HG       CYS  76   0.079   3.587   5.156
  929    H    VAL  77           H        VAL  77  -3.346   3.111   4.417
  930    HA   VAL  77           HA       VAL  77  -2.372   0.420   4.407
  931    HB   VAL  77           HB       VAL  77  -3.553   0.183   6.524
  932   HG11  VAL  77          HG11      VAL  77  -2.354   1.950   7.752
  933   HG12  VAL  77          HG12      VAL  77  -1.350   1.185   6.521
  934   HG13  VAL  77          HG13      VAL  77  -2.047   2.780   6.225
  935   HG21  VAL  77          HG21      VAL  77  -5.554   1.494   6.001
  936   HG22  VAL  77          HG22      VAL  77  -4.793   2.052   7.493
  937   HG23  VAL  77          HG23      VAL  77  -4.588   2.970   6.000
  938    H    PHE  78           H        PHE  78  -5.176   2.022   3.234
  939    HA   PHE  78           HA       PHE  78  -7.026  -0.040   3.120
  940    HB2  PHE  78           HB2      PHE  78  -7.510   2.267   2.368
  941    HB3  PHE  78           HB3      PHE  78  -6.378   2.078   1.038
  942    HD1  PHE  78           HD1      PHE  78  -9.080  -0.230   2.195
  943    HD2  PHE  78           HD2      PHE  78  -7.551   2.324  -0.840
  944    HE1  PHE  78           HE1      PHE  78 -10.891  -0.942   0.683
  945    HE2  PHE  78           HE2      PHE  78  -9.338   1.626  -2.356
  946    HZ   PHE  78           HZ       PHE  78 -11.026  -0.009  -1.596
  947    H    LEU  79           H        LEU  79  -4.767   0.911   0.585
  948    HA   LEU  79           HA       LEU  79  -5.337  -1.377  -0.963
  949    HB2  LEU  79           HB2      LEU  79  -3.148   0.671  -1.167
  950    HB3  LEU  79           HB3      LEU  79  -3.510  -0.531  -2.401
  951    HG   LEU  79           HG       LEU  79  -5.310   1.685  -1.447
  952   HD11  LEU  79          HD11      LEU  79  -5.179   2.414  -3.780
  953   HD12  LEU  79          HD12      LEU  79  -3.601   2.416  -2.990
  954   HD13  LEU  79          HD13      LEU  79  -4.027   1.120  -4.109
  955   HD21  LEU  79          HD21      LEU  79  -6.954   0.815  -2.999
  956   HD22  LEU  79          HD22      LEU  79  -5.876  -0.517  -3.418
  957   HD23  LEU  79          HD23      LEU  79  -6.539  -0.405  -1.787
  958    H    SER  80           H        SER  80  -2.550  -0.527   1.046
  959    HA   SER  80           HA       SER  80  -0.968  -2.678   0.180
  960    HB2  SER  80           HB2      SER  80  -0.868  -1.291   2.856
  961    HB3  SER  80           HB3      SER  80   0.451  -2.136   2.041
  962    HG   SER  80           HG       SER  80  -0.692   0.357   1.488
  963    H    CYS  81           H        CYS  81  -3.447  -2.404   2.633
  964    HA   CYS  81           HA       CYS  81  -2.949  -5.055   3.626
  965    HB2  CYS  81           HB2      CYS  81  -5.130  -3.052   4.145
  966    HB3  CYS  81           HB3      CYS  81  -5.090  -4.653   4.891
  967    HG   CYS  81           HG       CYS  81  -2.716  -2.215   5.248
  968    H    ILE  82           H        ILE  82  -4.700  -3.697   0.989
  969    HA   ILE  82           HA       ILE  82  -6.437  -6.010   0.763
  970    HB   ILE  82           HB       ILE  82  -5.953  -4.056  -1.488
  971   HG12  ILE  82          HG12      ILE  82  -7.981  -3.825   0.745
  972   HG13  ILE  82          HG13      ILE  82  -6.619  -2.739   0.468
  973   HG21  ILE  82          HG21      ILE  82  -8.396  -5.668  -0.752
  974   HG22  ILE  82          HG22      ILE  82  -8.103  -4.782  -2.251
  975   HG23  ILE  82          HG23      ILE  82  -7.154  -6.225  -1.882
  976   HD11  ILE  82          HD11      ILE  82  -8.699  -1.778  -0.330
  977   HD12  ILE  82          HD12      ILE  82  -7.579  -2.067  -1.661
  978   HD13  ILE  82          HD13      ILE  82  -8.937  -3.160  -1.399
  979    H    ALA  83           H        ALA  83  -3.253  -4.973  -0.371
  980    HA   ALA  83           HA       ALA  83  -2.731  -6.984  -2.210
  981    HB1  ALA  83           HB1      ALA  83  -0.423  -6.920  -1.401
  982    HB2  ALA  83           HB2      ALA  83  -1.095  -5.299  -1.585
  983    HB3  ALA  83           HB3      ALA  83  -0.953  -6.016   0.018
  984    H    MET  84           H        MET  84  -2.028  -7.150   1.257
  985    HA   MET  84           HA       MET  84  -1.561  -9.849   1.522
  986    HB2  MET  84           HB2      MET  84  -2.921  -7.962   3.449
  987    HB3  MET  84           HB3      MET  84  -2.430  -9.592   3.878
  988    HG2  MET  84           HG2      MET  84  -0.108  -9.026   3.426
  989    HG3  MET  84           HG3      MET  84  -0.592  -7.397   2.954
  990    HE1  MET  84           HE1      MET  84  -1.395  -5.529   4.632
  991    HE2  MET  84           HE2      MET  84  -2.777  -6.575   4.966
  992    HE3  MET  84           HE3      MET  84  -1.861  -5.865   6.300
  993    H    MET  85           H        MET  85  -4.643  -8.148   1.664
  994    HA   MET  85           HA       MET  85  -6.224 -10.413   2.228
  995    HB2  MET  85           HB2      MET  85  -6.932  -8.080   2.683
  996    HB3  MET  85           HB3      MET  85  -7.007  -7.789   0.947
  997    HG2  MET  85           HG2      MET  85  -8.581 -10.088   1.847
  998    HG3  MET  85           HG3      MET  85  -9.107  -8.524   2.478
  999    HE1  MET  85           HE1      MET  85 -10.436  -6.594  -0.421
 1000    HE2  MET  85           HE2      MET  85 -10.901  -7.169   1.187
 1001    HE3  MET  85           HE3      MET  85  -9.314  -6.418   0.937
 1002    H    CYS  86           H        CYS  86  -5.350  -8.810  -0.839
 1003    HA   CYS  86           HA       CYS  86  -7.038 -10.368  -2.478
 1004    HB2  CYS  86           HB2      CYS  86  -6.149  -8.240  -3.239
 1005    HB3  CYS  86           HB3      CYS  86  -4.506  -8.866  -3.158
 1006    HG   CYS  86           HG       CYS  86  -5.894 -10.965  -5.075
 1007    H    ASN  87           H        ASN  87  -3.847 -11.010  -1.164
 1008    HA   ASN  87           HA       ASN  87  -2.931 -12.878  -3.024
 1009    HB2  ASN  87           HB2      ASN  87  -1.533 -12.044  -1.168
 1010    HB3  ASN  87           HB3      ASN  87  -2.502 -12.973  -0.030
 1011   HD21  ASN  87          HD21      ASN  87  -2.253 -15.196   0.086
 1012   HD22  ASN  87          HD22      ASN  87  -0.970 -16.044  -0.720
 1013    H    GLU  88           H        GLU  88  -5.193 -13.231  -0.383
 1014    HA   GLU  88           HA       GLU  88  -5.447 -16.004  -0.313
 1015    HB2  GLU  88           HB2      GLU  88  -6.432 -14.264   1.259
 1016    HB3  GLU  88           HB3      GLU  88  -7.702 -14.032   0.069
 1017    HG2  GLU  88           HG2      GLU  88  -8.428 -15.502   1.844
 1018    HG3  GLU  88           HG3      GLU  88  -8.366 -16.359   0.306
 1019    H    PHE  89           H        PHE  89  -7.127 -13.591  -2.288
 1020    HA   PHE  89           HA       PHE  89  -8.661 -15.565  -3.724
 1021    HB2  PHE  89           HB2      PHE  89  -8.254 -12.615  -4.272
 1022    HB3  PHE  89           HB3      PHE  89  -9.445 -13.645  -5.055
 1023    HD1  PHE  89           HD1      PHE  89 -11.410 -14.421  -3.839
 1024    HD2  PHE  89           HD2      PHE  89  -8.574 -11.816  -2.028
 1025    HE1  PHE  89           HE1      PHE  89 -13.029 -13.899  -2.060
 1026    HE2  PHE  89           HE2      PHE  89 -10.185 -11.291  -0.246
 1027    HZ   PHE  89           HZ       PHE  89 -12.416 -12.333  -0.260
 1028    H    PHE  90           H        PHE  90  -5.707 -13.771  -4.169
 1029    HA   PHE  90           HA       PHE  90  -5.263 -14.224  -6.899
 1030    HB2  PHE  90           HB2      PHE  90  -3.922 -12.616  -5.717
 1031    HB3  PHE  90           HB3      PHE  90  -3.346 -13.842  -4.594
 1032    HD1  PHE  90           HD1      PHE  90  -3.276 -12.899  -8.190
 1033    HD2  PHE  90           HD2      PHE  90  -1.348 -14.939  -4.990
 1034    HE1  PHE  90           HE1      PHE  90  -1.314 -13.289  -9.622
 1035    HE2  PHE  90           HE2      PHE  90   0.616 -15.334  -6.417
 1036    HZ   PHE  90           HZ       PHE  90   0.634 -14.508  -8.738
 1037    H    GLU  91           H        GLU  91  -4.173 -16.078  -4.058
 1038    HA   GLU  91           HA       GLU  91  -3.196 -18.209  -5.726
 1039    HB2  GLU  91           HB2      GLU  91  -3.592 -18.108  -2.728
 1040    HB3  GLU  91           HB3      GLU  91  -2.754 -19.386  -3.602
 1041    HG2  GLU  91           HG2      GLU  91  -1.254 -17.494  -4.498
 1042    HG3  GLU  91           HG3      GLU  91  -1.921 -16.541  -3.176
 1043    H    GLY  92           H        GLY  92  -6.187 -17.337  -4.274
 1044    HA2  GLY  92           HA2      GLY  92  -8.252 -18.069  -4.996
 1045    HA3  GLY  92           HA3      GLY  92  -7.445 -19.301  -5.952
 1046    H    PHE  93           H        PHE  93  -7.380 -18.736  -2.431
 1047    HA   PHE  93           HA       PHE  93  -8.017 -21.529  -2.086
 1048    HB2  PHE  93           HB2      PHE  93  -6.756 -19.453  -0.404
 1049    HB3  PHE  93           HB3      PHE  93  -7.463 -20.858   0.363
 1050    HD1  PHE  93           HD1      PHE  93  -6.855 -23.127  -0.904
 1051    HD2  PHE  93           HD2      PHE  93  -4.510 -19.579  -0.883
 1052    HE1  PHE  93           HE1      PHE  93  -4.844 -24.457  -1.429
 1053    HE2  PHE  93           HE2      PHE  93  -2.497 -20.897  -1.408
 1054    HZ   PHE  93           HZ       PHE  93  -2.665 -23.339  -1.682
 1055    HA   PRO  94           HA       PRO  94 -11.486 -19.393   0.652
 1056    HB2  PRO  94           HB2      PRO  94 -12.558 -17.185  -0.597
 1057    HB3  PRO  94           HB3      PRO  94 -11.409 -17.108   0.745
 1058    HG2  PRO  94           HG2      PRO  94 -10.915 -16.846  -2.192
 1059    HG3  PRO  94           HG3      PRO  94 -10.214 -15.923  -0.849
 1060    HD2  PRO  94           HD2      PRO  94  -8.848 -17.883  -2.064
 1061    HD3  PRO  94           HD3      PRO  94  -8.704 -17.599  -0.318
 1062    H    ASP  95           H        ASP  95 -12.365 -21.258  -0.166
 1063    HA   ASP  95           HA       ASP  95 -13.542 -22.682  -1.469
 1064    HB2  ASP  95           HB2      ASP  95 -15.401 -21.060  -1.224
 1065    HB3  ASP  95           HB3      ASP  95 -14.807 -20.177  -2.626
 1066    H    LYS  96           H        LYS  96 -11.287 -22.861  -2.219
 1067    HA   LYS  96           HA       LYS  96 -10.035 -21.778  -4.295
 1068    HB2  LYS  96           HB2      LYS  96  -8.874 -23.844  -4.707
 1069    HB3  LYS  96           HB3      LYS  96  -9.155 -23.672  -2.983
 1070    HG2  LYS  96           HG2      LYS  96 -10.950 -25.319  -4.734
 1071    HG3  LYS  96           HG3      LYS  96  -9.481 -25.972  -4.011
 1072    HD2  LYS  96           HD2      LYS  96 -11.793 -24.753  -2.503
 1073    HD3  LYS  96           HD3      LYS  96 -11.472 -26.480  -2.670
 1074    HE2  LYS  96           HE2      LYS  96  -9.245 -26.070  -1.586
 1075    HE3  LYS  96           HE3      LYS  96  -9.784 -24.424  -1.255
 1076    HZ1  LYS  96           HZ1      LYS  96 -11.041 -26.925  -0.270
 1077    HZ2  LYS  96           HZ2      LYS  96 -11.665 -25.368  -0.015
 1078    HZ3  LYS  96           HZ3      LYS  96 -10.170 -25.804   0.655
 1079    H    GLN  97           H        GLN  97  -9.947 -21.793  -6.441
 1080    HA   GLN  97           HA       GLN  97 -12.254 -21.787  -7.913
 1081    HB2  GLN  97           HB2      GLN  97 -10.752 -21.895  -9.926
 1082    HB3  GLN  97           HB3      GLN  97 -10.323 -20.668  -8.744
 1083    HG2  GLN  97           HG2      GLN  97  -8.565 -22.124  -7.869
 1084    HG3  GLN  97           HG3      GLN  97  -8.994 -23.351  -9.058
 1085   HE21  GLN  97          HE21      GLN  97  -6.480 -21.913  -8.631
 1086   HE22  GLN  97          HE22      GLN  97  -6.121 -21.149 -10.143
 1087    HA   PRO  98           HA       PRO  98 -13.049 -26.151  -8.364
 1088    HB2  PRO  98           HB2      PRO  98 -15.353 -25.872  -9.775
 1089    HB3  PRO  98           HB3      PRO  98 -15.267 -25.664  -8.022
 1090    HG2  PRO  98           HG2      PRO  98 -15.333 -23.599 -10.176
 1091    HG3  PRO  98           HG3      PRO  98 -16.132 -23.597  -8.594
 1092    HD2  PRO  98           HD2      PRO  98 -13.841 -22.215  -9.126
 1093    HD3  PRO  98           HD3      PRO  98 -14.265 -22.823  -7.515
 1094    H    ARG  99           H        ARG  99 -11.474 -26.853  -9.718
 1095    HA   ARG  99           HA       ARG  99 -11.488 -26.075 -12.517
 1096    HB2  ARG  99           HB2      ARG  99  -9.709 -28.128 -11.192
 1097    HB3  ARG  99           HB3      ARG  99  -9.415 -27.252 -12.690
 1098    HG2  ARG  99           HG2      ARG  99  -9.251 -25.159 -11.402
 1099    HG3  ARG  99           HG3      ARG  99  -9.469 -26.082  -9.916
 1100    HD2  ARG  99           HD2      ARG  99  -7.439 -27.446 -10.733
 1101    HD3  ARG  99           HD3      ARG  99  -7.158 -26.087 -11.824
 1102    HE   ARG  99           HE       ARG  99  -7.390 -25.672  -8.916
 1103   HH11  ARG  99          HH12      ARG  99  -5.592 -25.340 -11.910
 1104   HH12  ARG  99          HH11      ARG  99  -4.320 -24.399 -11.183
 1105   HH21  ARG  99          HH22      ARG  99  -5.720 -24.451  -7.967
 1106   HH22  ARG  99          HH21      ARG  99  -4.384 -23.906  -8.933
 1107    H    LYS 100           H        LYS 100 -11.897 -28.974 -10.540
 1108    HA   LYS 100           HA       LYS 100 -14.020 -29.868 -12.228
 1109    HB2  LYS 100           HB2      LYS 100 -13.098 -32.064 -12.788
 1110    HB3  LYS 100           HB3      LYS 100 -12.148 -30.777 -13.517
 1111    HG2  LYS 100           HG2      LYS 100 -10.380 -31.081 -11.979
 1112    HG3  LYS 100           HG3      LYS 100 -11.369 -32.109 -10.938
 1113    HD2  LYS 100           HD2      LYS 100  -9.789 -33.436 -12.250
 1114    HD3  LYS 100           HD3      LYS 100 -11.456 -33.811 -12.688
 1115    HE2  LYS 100           HE2      LYS 100 -10.185 -33.661 -14.702
 1116    HE3  LYS 100           HE3      LYS 100 -11.223 -32.240 -14.612
 1117    HZ1  LYS 100           HZ1      LYS 100  -9.266 -31.034 -13.679
 1118    HZ2  LYS 100           HZ2      LYS 100  -9.090 -31.521 -15.292
 1119    HZ3  LYS 100           HZ3      LYS 100  -8.315 -32.386 -14.054
 1120    H    LYS 101           H        LYS 101 -15.329 -31.367 -11.213
 1121    HA   LYS 101           HA       LYS 101 -14.669 -31.867  -8.396
 1122    HB2  LYS 101           HB2      LYS 101 -17.347 -31.882  -9.804
 1123    HB3  LYS 101           HB3      LYS 101 -17.103 -32.227  -8.098
 1124    HG2  LYS 101           HG2      LYS 101 -16.227 -29.956  -7.779
 1125    HG3  LYS 101           HG3      LYS 101 -16.530 -29.616  -9.484
 1126    HD2  LYS 101           HD2      LYS 101 -18.333 -28.739  -8.109
 1127    HD3  LYS 101           HD3      LYS 101 -18.922 -30.053  -9.132
 1128    HE2  LYS 101           HE2      LYS 101 -18.718 -31.599  -7.233
 1129    HE3  LYS 101           HE3      LYS 101 -18.169 -30.265  -6.217
 1130    HZ1  LYS 101           HZ1      LYS 101 -20.302 -29.166  -6.596
 1131    HZ2  LYS 101           HZ2      LYS 101 -20.516 -30.690  -5.886
 1132    HZ3  LYS 101           HZ3      LYS 101 -20.825 -30.476  -7.538
 1133    H    MET   1           H1       MET   1  -2.805  -0.832 -21.499
 1134    HA   MET   1           HA       MET   1  -2.247   0.722 -19.745
 1135    HB2  MET   1           HB2      MET   1  -3.460   2.652 -20.676
 1136    HB3  MET   1           HB3      MET   1  -4.990   1.846 -20.376
 1137    HG2  MET   1           HG2      MET   1  -4.569   1.930 -17.975
 1138    HG3  MET   1           HG3      MET   1  -3.026   2.728 -18.274
 1139    HE1  MET   1           HE1      MET   1  -3.671   4.708 -16.638
 1140    HE2  MET   1           HE2      MET   1  -5.178   5.617 -16.751
 1141    HE3  MET   1           HE3      MET   1  -5.208   3.913 -16.298
 1142    H    ALA   2           H        ALA   2  -2.787   0.086 -17.603
 1143    HA   ALA   2           HA       ALA   2  -4.711  -2.135 -17.527
 1144    HB1  ALA   2           HB1      ALA   2  -2.405  -2.641 -16.834
 1145    HB2  ALA   2           HB2      ALA   2  -2.513  -1.394 -15.591
 1146    HB3  ALA   2           HB3      ALA   2  -3.541  -2.822 -15.495
 1147    H    CYS   3           H        CYS   3  -5.969  -2.287 -15.442
 1148    HA   CYS   3           HA       CYS   3  -7.169   0.223 -14.788
 1149    HB2  CYS   3           HB2      CYS   3  -7.527  -2.485 -13.480
 1150    HB3  CYS   3           HB3      CYS   3  -8.572  -1.082 -13.264
 1151    HG   CYS   3           HG       CYS   3  -8.165  -2.132 -16.440
 1152    HA   PRO   4           HA       PRO   4  -3.607   1.275 -12.439
 1153    HB2  PRO   4           HB2      PRO   4  -5.621   3.184 -11.337
 1154    HB3  PRO   4           HB3      PRO   4  -3.963   3.501 -11.866
 1155    HG2  PRO   4           HG2      PRO   4  -5.921   4.156 -13.469
 1156    HG3  PRO   4           HG3      PRO   4  -4.544   3.251 -14.148
 1157    HD2  PRO   4           HD2      PRO   4  -7.266   2.256 -13.373
 1158    HD3  PRO   4           HD3      PRO   4  -6.287   1.866 -14.805
 1159    H    LEU   5           H        LEU   5  -6.566   1.671 -10.471
 1160    HA   LEU   5           HA       LEU   5  -5.159   1.046  -8.078
 1161    HB2  LEU   5           HB2      LEU   5  -7.467   2.359  -8.645
 1162    HB3  LEU   5           HB3      LEU   5  -8.100   0.831  -8.073
 1163    HG   LEU   5           HG       LEU   5  -7.993   2.514  -6.293
 1164   HD11  LEU   5          HD11      LEU   5  -6.769   1.182  -4.635
 1165   HD12  LEU   5          HD12      LEU   5  -7.842   0.209  -5.650
 1166   HD13  LEU   5          HD13      LEU   5  -6.102   0.206  -5.948
 1167   HD21  LEU   5          HD21      LEU   5  -5.018   2.418  -6.749
 1168   HD22  LEU   5          HD22      LEU   5  -6.082   3.793  -7.047
 1169   HD23  LEU   5          HD23      LEU   5  -5.831   3.216  -5.398
 1170    H    GLU   6           H        GLU   6  -7.112  -0.773 -10.337
 1171    HA   GLU   6           HA       GLU   6  -7.544  -3.097  -8.858
 1172    HB2  GLU   6           HB2      GLU   6  -8.642  -2.710 -10.985
 1173    HB3  GLU   6           HB3      GLU   6  -7.100  -2.717 -11.824
 1174    HG2  GLU   6           HG2      GLU   6  -7.714  -5.156 -10.307
 1175    HG3  GLU   6           HG3      GLU   6  -8.772  -4.825 -11.679
 1176    H    LYS   7           H        LYS   7  -4.859  -2.227 -11.006
 1177    HA   LYS   7           HA       LYS   7  -3.420  -4.612 -10.593
 1178    HB2  LYS   7           HB2      LYS   7  -2.815  -1.954 -11.816
 1179    HB3  LYS   7           HB3      LYS   7  -1.469  -3.035 -11.441
 1180    HG2  LYS   7           HG2      LYS   7  -3.847  -4.011 -12.976
 1181    HG3  LYS   7           HG3      LYS   7  -2.533  -3.142 -13.777
 1182    HD2  LYS   7           HD2      LYS   7  -1.010  -4.817 -13.395
 1183    HD3  LYS   7           HD3      LYS   7  -1.856  -5.404 -11.965
 1184    HE2  LYS   7           HE2      LYS   7  -3.078  -5.655 -14.682
 1185    HE3  LYS   7           HE3      LYS   7  -1.889  -6.825 -14.111
 1186    HZ1  LYS   7           HZ1      LYS   7  -3.287  -7.289 -12.211
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.147  -7.551 -13.649
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.442  -6.154 -12.730
 1189    H    ALA   8           H        ALA   8  -3.470  -1.557  -8.885
 1190    HA   ALA   8           HA       ALA   8  -1.151  -1.551  -7.470
 1191    HB1  ALA   8           HB1      ALA   8  -2.304  -0.374  -5.691
 1192    HB2  ALA   8           HB2      ALA   8  -2.868   0.175  -7.269
 1193    HB3  ALA   8           HB3      ALA   8  -3.860  -0.925  -6.312
 1194    H    LEU   9           H        LEU   9  -4.072  -3.401  -6.499
 1195    HA   LEU   9           HA       LEU   9  -2.653  -4.557  -4.261
 1196    HB2  LEU   9           HB2      LEU   9  -5.326  -5.459  -5.348
 1197    HB3  LEU   9           HB3      LEU   9  -4.650  -5.806  -3.780
 1198    HG   LEU   9           HG       LEU   9  -6.219  -4.191  -3.294
 1199   HD11  LEU   9          HD11      LEU   9  -5.005  -2.154  -2.744
 1200   HD12  LEU   9          HD12      LEU   9  -4.092  -3.608  -2.335
 1201   HD13  LEU   9          HD13      LEU   9  -3.671  -2.678  -3.773
 1202   HD21  LEU   9          HD21      LEU   9  -5.337  -2.595  -5.689
 1203   HD22  LEU   9          HD22      LEU   9  -6.788  -3.593  -5.600
 1204   HD23  LEU   9          HD23      LEU   9  -6.628  -2.174  -4.565
 1205    H    ASP  10           H        ASP  10  -3.734  -5.580  -7.432
 1206    HA   ASP  10           HA       ASP  10  -3.172  -8.312  -7.247
 1207    HB2  ASP  10           HB2      ASP  10  -4.494  -7.552  -9.065
 1208    HB3  ASP  10           HB3      ASP  10  -3.271  -6.395  -9.573
 1209    H    VAL  11           H        VAL  11  -1.135  -5.623  -8.315
 1210    HA   VAL  11           HA       VAL  11   1.012  -7.318  -9.116
 1211    HB   VAL  11           HB       VAL  11   2.281  -5.343  -9.518
 1212   HG11  VAL  11          HG11      VAL  11   0.512  -5.851 -11.112
 1213   HG12  VAL  11          HG12      VAL  11  -0.615  -4.859 -10.184
 1214   HG13  VAL  11          HG13      VAL  11   0.765  -4.111 -10.980
 1215   HG21  VAL  11          HG21      VAL  11   0.178  -3.844  -7.959
 1216   HG22  VAL  11          HG22      VAL  11   1.835  -4.153  -7.444
 1217   HG23  VAL  11          HG23      VAL  11   1.525  -3.116  -8.834
 1218    H    MET  12           H        MET  12   0.131  -5.805  -6.097
 1219    HA   MET  12           HA       MET  12   2.605  -5.763  -4.797
 1220    HB2  MET  12           HB2      MET  12  -0.140  -6.351  -3.714
 1221    HB3  MET  12           HB3      MET  12   1.288  -6.231  -2.696
 1222    HG2  MET  12           HG2      MET  12   1.492  -3.908  -4.005
 1223    HG3  MET  12           HG3      MET  12  -0.257  -4.129  -4.061
 1224    HE1  MET  12           HE1      MET  12   0.668  -1.712  -2.900
 1225    HE2  MET  12           HE2      MET  12  -0.978  -2.065  -2.319
 1226    HE3  MET  12           HE3      MET  12   0.284  -1.576  -1.178
 1227    H    VAL  13           H        VAL  13   0.172  -8.368  -4.755
 1228    HA   VAL  13           HA       VAL  13   2.005 -10.160  -3.482
 1229    HB   VAL  13           HB       VAL  13   0.221 -11.857  -3.738
 1230   HG11  VAL  13          HG11      VAL  13  -0.683  -9.198  -2.649
 1231   HG12  VAL  13          HG12      VAL  13  -1.347 -10.776  -2.221
 1232   HG13  VAL  13          HG13      VAL  13   0.319 -10.378  -1.804
 1233   HG21  VAL  13          HG21      VAL  13  -1.291  -9.620  -5.083
 1234   HG22  VAL  13          HG22      VAL  13  -0.766 -11.126  -5.837
 1235   HG23  VAL  13          HG23      VAL  13  -1.984 -11.154  -4.562
 1236    H    SER  14           H        SER  14   1.153  -9.477  -6.775
 1237    HA   SER  14           HA       SER  14   2.159 -11.912  -7.863
 1238    HB2  SER  14           HB2      SER  14   1.755  -9.207  -9.162
 1239    HB3  SER  14           HB3      SER  14   2.122 -10.703 -10.026
 1240    HG   SER  14           HG       SER  14  -0.224  -9.949  -8.663
 1241    H    THR  15           H        THR  15   3.525  -8.609  -7.710
 1242    HA   THR  15           HA       THR  15   6.100  -9.341  -8.637
 1243    HB   THR  15           HB       THR  15   5.445  -7.002  -6.830
 1244    HG1  THR  15           HG1      THR  15   4.089  -6.589  -8.442
 1245   HG21  THR  15          HG21      THR  15   7.522  -7.302  -9.003
 1246   HG22  THR  15          HG22      THR  15   7.851  -7.429  -7.275
 1247   HG23  THR  15          HG23      THR  15   7.293  -5.899  -7.960
 1248    H    PHE  16           H        PHE  16   4.545  -9.254  -5.542
 1249    HA   PHE  16           HA       PHE  16   6.525  -9.510  -3.689
 1250    HB2  PHE  16           HB2      PHE  16   4.068  -9.446  -3.292
 1251    HB3  PHE  16           HB3      PHE  16   3.968 -11.119  -3.812
 1252    HD1  PHE  16           HD1      PHE  16   5.804  -9.030  -1.333
 1253    HD2  PHE  16           HD2      PHE  16   3.894 -12.722  -2.207
 1254    HE1  PHE  16           HE1      PHE  16   6.116  -9.737   1.002
 1255    HE2  PHE  16           HE2      PHE  16   4.206 -13.441   0.121
 1256    HZ   PHE  16           HZ       PHE  16   5.315 -11.946   1.731
 1257    H    HIS  17           H        HIS  17   4.920 -12.300  -5.245
 1258    HA   HIS  17           HA       HIS  17   6.703 -14.173  -4.087
 1259    HB2  HIS  17           HB2      HIS  17   4.783 -14.492  -6.399
 1260    HB3  HIS  17           HB3      HIS  17   5.631 -15.819  -5.613
 1261    HD1  HIS  17           HD1      HIS  17   5.187 -15.323  -2.691
 1262    HD2  HIS  17           HD2      HIS  17   2.234 -14.627  -5.540
 1263    HE1  HIS  17           HE1      HIS  17   3.004 -15.432  -1.449
 1264    HE2  HIS  17           HE2      HIS  17   1.251 -14.824  -3.152
 1265    H    LYS  18           H        LYS  18   6.887 -12.288  -6.975
 1266    HA   LYS  18           HA       LYS  18   8.511 -13.941  -8.558
 1267    HB2  LYS  18           HB2      LYS  18   8.460 -10.923  -8.429
 1268    HB3  LYS  18           HB3      LYS  18   9.216 -11.868  -9.700
 1269    HG2  LYS  18           HG2      LYS  18   7.007 -12.778 -10.296
 1270    HG3  LYS  18           HG3      LYS  18   6.279 -11.746  -9.059
 1271    HD2  LYS  18           HD2      LYS  18   7.251  -9.772 -10.203
 1272    HD3  LYS  18           HD3      LYS  18   7.837 -10.839 -11.478
 1273    HE2  LYS  18           HE2      LYS  18   5.519 -11.514 -11.946
 1274    HE3  LYS  18           HE3      LYS  18   4.956 -10.394 -10.704
 1275    HZ1  LYS  18           HZ1      LYS  18   4.754  -9.307 -12.786
 1276    HZ2  LYS  18           HZ2      LYS  18   6.328  -9.728 -13.247
 1277    HZ3  LYS  18           HZ3      LYS  18   6.087  -8.599 -12.005
 1278    H    TYR  19           H        TYR  19   9.400 -11.351  -6.288
 1279    HA   TYR  19           HA       TYR  19  12.218 -11.949  -6.774
 1280    HB2  TYR  19           HB2      TYR  19  10.920  -9.636  -5.327
 1281    HB3  TYR  19           HB3      TYR  19  12.649  -9.814  -5.612
 1282    HD1  TYR  19           HD2      TYR  19   9.395  -9.158  -7.188
 1283    HD2  TYR  19           HD1      TYR  19  13.600  -9.385  -7.792
 1284    HE1  TYR  19           HE2      TYR  19   9.140  -8.032  -9.354
 1285    HE2  TYR  19           HE1      TYR  19  13.348  -8.251  -9.964
 1286    HH   TYR  19           HH       TYR  19  10.429  -6.708 -10.902
 1287    H    SER  20           H        SER  20   9.820 -12.323  -4.287
 1288    HA   SER  20           HA       SER  20  11.710 -12.673  -2.159
 1289    HB2  SER  20           HB2      SER  20   9.740 -13.624  -0.928
 1290    HB3  SER  20           HB3      SER  20   9.466 -12.010  -1.582
 1291    HG   SER  20           HG       SER  20   8.063 -12.782  -2.971
 1292    H    GLY  21           H        GLY  21   9.788 -14.855  -4.200
 1293    HA2  GLY  21           HA2      GLY  21  11.020 -17.225  -3.146
 1294    HA3  GLY  21           HA3      GLY  21   9.961 -17.132  -4.546
 1295    H    LYS  22           H        LYS  22  12.980 -15.426  -3.951
 1296    HA   LYS  22           HA       LYS  22  14.058 -16.575  -6.429
 1297    HB2  LYS  22           HB2      LYS  22  13.807 -14.125  -6.363
 1298    HB3  LYS  22           HB3      LYS  22  14.791 -14.057  -4.911
 1299    HG2  LYS  22           HG2      LYS  22  16.714 -14.870  -6.173
 1300    HG3  LYS  22           HG3      LYS  22  15.724 -14.942  -7.633
 1301    HD2  LYS  22           HD2      LYS  22  16.183 -12.431  -6.025
 1302    HD3  LYS  22           HD3      LYS  22  17.134 -12.881  -7.444
 1303    HE2  LYS  22           HE2      LYS  22  14.143 -12.502  -7.425
 1304    HE3  LYS  22           HE3      LYS  22  15.301 -11.270  -7.915
 1305    HZ1  LYS  22           HZ1      LYS  22  16.026 -12.658  -9.709
 1306    HZ2  LYS  22           HZ2      LYS  22  14.343 -12.516  -9.789
 1307    HZ3  LYS  22           HZ3      LYS  22  15.044 -13.938  -9.194
 1308    H    GLU  23           H        GLU  23  15.541 -15.122  -3.558
 1309    HA   GLU  23           HA       GLU  23  17.160 -17.561  -3.250
 1310    HB2  GLU  23           HB2      GLU  23  17.674 -14.689  -2.800
 1311    HB3  GLU  23           HB3      GLU  23  18.339 -15.778  -1.592
 1312    HG2  GLU  23           HG2      GLU  23  19.934 -15.254  -3.354
 1313    HG3  GLU  23           HG3      GLU  23  19.572 -16.973  -3.280
 1314    H    GLY  24           H        GLY  24  14.990 -15.351  -1.583
 1315    HA2  GLY  24           HA2      GLY  24  15.208 -16.931   0.873
 1316    HA3  GLY  24           HA3      GLY  24  14.365 -15.400   0.697
 1317    H    ASP  25           H        ASP  25  12.622 -16.449   1.850
 1318    HA   ASP  25           HA       ASP  25  11.135 -18.548   0.522
 1319    HB2  ASP  25           HB2      ASP  25  11.183 -18.279   3.013
 1320    HB3  ASP  25           HB3      ASP  25  10.286 -16.776   2.826
 1321    H    LYS  26           H        LYS  26   9.014 -18.290  -0.336
 1322    HA   LYS  26           HA       LYS  26   8.923 -16.076  -2.111
 1323    HB2  LYS  26           HB2      LYS  26   6.732 -17.118  -2.817
 1324    HB3  LYS  26           HB3      LYS  26   8.169 -18.121  -2.970
 1325    HG2  LYS  26           HG2      LYS  26   7.484 -19.585  -1.394
 1326    HG3  LYS  26           HG3      LYS  26   6.672 -18.345  -0.438
 1327    HD2  LYS  26           HD2      LYS  26   5.096 -19.939  -1.443
 1328    HD3  LYS  26           HD3      LYS  26   4.851 -18.283  -1.995
 1329    HE2  LYS  26           HE2      LYS  26   5.972 -18.759  -4.076
 1330    HE3  LYS  26           HE3      LYS  26   6.396 -20.377  -3.519
 1331    HZ1  LYS  26           HZ1      LYS  26   4.067 -20.959  -3.496
 1332    HZ2  LYS  26           HZ2      LYS  26   4.494 -20.371  -5.031
 1333    HZ3  LYS  26           HZ3      LYS  26   3.626 -19.387  -3.958
 1334    H    PHE  27           H        PHE  27   7.949 -16.146   1.067
 1335    HA   PHE  27           HA       PHE  27   6.373 -13.732   0.460
 1336    HB2  PHE  27           HB2      PHE  27   5.075 -14.109   2.577
 1337    HB3  PHE  27           HB3      PHE  27   4.724 -15.238   1.281
 1338    HD1  PHE  27           HD2      PHE  27   6.957 -14.964   4.268
 1339    HD2  PHE  27           HD1      PHE  27   4.504 -17.433   1.822
 1340    HE1  PHE  27           HE2      PHE  27   7.303 -16.841   5.820
 1341    HE2  PHE  27           HE1      PHE  27   4.842 -19.312   3.371
 1342    HZ   PHE  27           HZ       PHE  27   6.243 -19.015   5.372
 1343    H    LYS  28           H        LYS  28   9.217 -14.636   1.354
 1344    HA   LYS  28           HA       LYS  28   9.475 -12.408   3.271
 1345    HB2  LYS  28           HB2      LYS  28  11.080 -14.954   3.104
 1346    HB3  LYS  28           HB3      LYS  28  11.619 -13.543   4.000
 1347    HG2  LYS  28           HG2      LYS  28   9.104 -15.110   4.525
 1348    HG3  LYS  28           HG3      LYS  28  10.594 -15.175   5.469
 1349    HD2  LYS  28           HD2      LYS  28  10.279 -12.630   5.731
 1350    HD3  LYS  28           HD3      LYS  28   8.622 -12.932   5.210
 1351    HE2  LYS  28           HE2      LYS  28   9.966 -14.281   7.542
 1352    HE3  LYS  28           HE3      LYS  28   8.895 -12.887   7.669
 1353    HZ1  LYS  28           HZ1      LYS  28   7.734 -14.950   8.119
 1354    HZ2  LYS  28           HZ2      LYS  28   8.143 -15.551   6.594
 1355    HZ3  LYS  28           HZ3      LYS  28   7.111 -14.207   6.729
 1356    H    LEU  29           H        LEU  29  10.388 -10.710   2.356
 1357    HA   LEU  29           HA       LEU  29  12.385 -11.192   0.252
 1358    HB2  LEU  29           HB2      LEU  29  10.735  -8.738   0.837
 1359    HB3  LEU  29           HB3      LEU  29  12.049  -8.774  -0.322
 1360    HG   LEU  29           HG       LEU  29  10.620 -10.789  -1.307
 1361   HD11  LEU  29          HD11      LEU  29   8.597  -9.027   0.052
 1362   HD12  LEU  29          HD12      LEU  29   8.229 -10.242  -1.172
 1363   HD13  LEU  29          HD13      LEU  29   8.902 -10.731   0.382
 1364   HD21  LEU  29          HD21      LEU  29  10.019  -7.874  -1.765
 1365   HD22  LEU  29          HD22      LEU  29  11.339  -8.787  -2.497
 1366   HD23  LEU  29          HD23      LEU  29   9.665  -9.196  -2.879
 1367    H    ASN  30           H        ASN  30  14.318 -11.311   1.198
 1368    HA   ASN  30           HA       ASN  30  15.036  -9.501   3.323
 1369    HB2  ASN  30           HB2      ASN  30  17.206 -10.541   3.314
 1370    HB3  ASN  30           HB3      ASN  30  15.994 -11.808   3.189
 1371   HD21  ASN  30          HD21      ASN  30  15.868 -13.024   1.369
 1372   HD22  ASN  30          HD22      ASN  30  17.027 -12.939   0.094
 1373    H    LYS  31           H        LYS  31  17.530  -8.687   2.745
 1374    HA   LYS  31           HA       LYS  31  17.162  -6.269   1.580
 1375    HB2  LYS  31           HB2      LYS  31  19.726  -7.873   1.615
 1376    HB3  LYS  31           HB3      LYS  31  19.620  -6.137   1.355
 1377    HG2  LYS  31           HG2      LYS  31  18.759  -5.811   3.580
 1378    HG3  LYS  31           HG3      LYS  31  18.706  -7.555   3.846
 1379    HD2  LYS  31           HD2      LYS  31  21.123  -7.688   3.637
 1380    HD3  LYS  31           HD3      LYS  31  21.206  -5.959   3.294
 1381    HE2  LYS  31           HE2      LYS  31  20.452  -5.416   5.494
 1382    HE3  LYS  31           HE3      LYS  31  20.082  -7.105   5.842
 1383    HZ1  LYS  31           HZ1      LYS  31  22.180  -6.338   6.845
 1384    HZ2  LYS  31           HZ2      LYS  31  22.807  -6.062   5.294
 1385    HZ3  LYS  31           HZ3      LYS  31  22.403  -7.635   5.772
 1386    H    SER  32           H        SER  32  18.570  -9.122  -0.088
 1387    HA   SER  32           HA       SER  32  19.034  -7.670  -2.493
 1388    HB2  SER  32           HB2      SER  32  19.502  -9.979  -3.432
 1389    HB3  SER  32           HB3      SER  32  20.473  -9.505  -2.038
 1390    HG   SER  32           HG       SER  32  18.238 -11.267  -2.114
 1391    H    GLU  33           H        GLU  33  16.355  -9.548  -1.303
 1392    HA   GLU  33           HA       GLU  33  15.188 -10.058  -3.865
 1393    HB2  GLU  33           HB2      GLU  33  13.626  -9.996  -1.298
 1394    HB3  GLU  33           HB3      GLU  33  13.371 -11.004  -2.714
 1395    HG2  GLU  33           HG2      GLU  33  15.565 -11.261  -0.674
 1396    HG3  GLU  33           HG3      GLU  33  14.199 -12.343  -0.910
 1397    H    LEU  34           H        LEU  34  14.496  -7.815  -1.203
 1398    HA   LEU  34           HA       LEU  34  12.542  -6.285  -2.522
 1399    HB2  LEU  34           HB2      LEU  34  14.435  -5.777  -0.263
 1400    HB3  LEU  34           HB3      LEU  34  13.510  -4.446  -0.929
 1401    HG   LEU  34           HG       LEU  34  12.235  -6.965   0.113
 1402   HD11  LEU  34          HD11      LEU  34  11.693  -5.627   2.109
 1403   HD12  LEU  34          HD12      LEU  34  13.428  -5.891   1.930
 1404   HD13  LEU  34          HD13      LEU  34  12.725  -4.332   1.501
 1405   HD21  LEU  34          HD21      LEU  34  10.223  -5.606   0.110
 1406   HD22  LEU  34          HD22      LEU  34  11.141  -4.215  -0.477
 1407   HD23  LEU  34          HD23      LEU  34  10.942  -5.638  -1.502
 1408    H    LYS  35           H        LYS  35  16.042  -6.010  -2.355
 1409    HA   LYS  35           HA       LYS  35  16.505  -3.643  -3.632
 1410    HB2  LYS  35           HB2      LYS  35  18.252  -5.094  -2.677
 1411    HB3  LYS  35           HB3      LYS  35  18.042  -6.214  -4.016
 1412    HG2  LYS  35           HG2      LYS  35  18.825  -4.586  -5.586
 1413    HG3  LYS  35           HG3      LYS  35  18.890  -3.346  -4.321
 1414    HD2  LYS  35           HD2      LYS  35  20.506  -4.915  -3.112
 1415    HD3  LYS  35           HD3      LYS  35  20.623  -5.780  -4.646
 1416    HE2  LYS  35           HE2      LYS  35  21.339  -3.719  -5.748
 1417    HE3  LYS  35           HE3      LYS  35  21.222  -2.859  -4.213
 1418    HZ1  LYS  35           HZ1      LYS  35  23.093  -5.058  -4.896
 1419    HZ2  LYS  35           HZ2      LYS  35  22.909  -4.436  -3.328
 1420    HZ3  LYS  35           HZ3      LYS  35  23.488  -3.438  -4.576
 1421    H    GLU  36           H        GLU  36  16.329  -6.815  -5.266
 1422    HA   GLU  36           HA       GLU  36  16.556  -5.734  -7.846
 1423    HB2  GLU  36           HB2      GLU  36  16.823  -8.176  -7.077
 1424    HB3  GLU  36           HB3      GLU  36  15.075  -8.270  -7.263
 1425    HG2  GLU  36           HG2      GLU  36  15.269  -7.613  -9.582
 1426    HG3  GLU  36           HG3      GLU  36  17.013  -7.483  -9.421
 1427    H    LEU  37           H        LEU  37  13.769  -6.528  -5.863
 1428    HA   LEU  37           HA       LEU  37  11.720  -6.088  -7.700
 1429    HB2  LEU  37           HB2      LEU  37  11.622  -6.957  -5.287
 1430    HB3  LEU  37           HB3      LEU  37  11.609  -5.267  -4.810
 1431    HG   LEU  37           HG       LEU  37   9.552  -6.047  -6.782
 1432   HD11  LEU  37          HD11      LEU  37   9.553  -8.002  -5.323
 1433   HD12  LEU  37          HD12      LEU  37   9.447  -6.957  -3.907
 1434   HD13  LEU  37          HD13      LEU  37   8.113  -7.020  -5.058
 1435   HD21  LEU  37          HD21      LEU  37   9.701  -3.792  -5.845
 1436   HD22  LEU  37          HD22      LEU  37   8.192  -4.581  -5.385
 1437   HD23  LEU  37          HD23      LEU  37   9.510  -4.453  -4.221
 1438    H    LEU  38           H        LEU  38  13.220  -3.801  -5.429
 1439    HA   LEU  38           HA       LEU  38  11.828  -1.533  -6.373
 1440    HB2  LEU  38           HB2      LEU  38  14.246  -1.956  -4.669
 1441    HB3  LEU  38           HB3      LEU  38  13.877  -0.340  -5.247
 1442    HG   LEU  38           HG       LEU  38  11.501  -1.449  -4.115
 1443   HD11  LEU  38          HD11      LEU  38  12.936  -2.982  -2.894
 1444   HD12  LEU  38          HD12      LEU  38  13.920  -1.631  -2.327
 1445   HD13  LEU  38          HD13      LEU  38  12.240  -1.778  -1.808
 1446   HD21  LEU  38          HD21      LEU  38  13.367   0.726  -3.155
 1447   HD22  LEU  38          HD22      LEU  38  12.026   0.933  -4.283
 1448   HD23  LEU  38          HD23      LEU  38  11.708   0.476  -2.610
 1449    H    THR  39           H        THR  39  15.009  -2.894  -7.241
 1450    HA   THR  39           HA       THR  39  15.850  -0.734  -8.835
 1451    HB   THR  39           HB       THR  39  17.398  -2.283  -9.933
 1452    HG1  THR  39           HG1      THR  39  15.574  -4.150  -9.035
 1453   HG21  THR  39          HG21      THR  39  17.152  -2.837  -6.983
 1454   HG22  THR  39          HG22      THR  39  17.953  -1.436  -7.703
 1455   HG23  THR  39          HG23      THR  39  18.598  -3.057  -7.967
 1456    H    ARG  40           H        ARG  40  13.615  -3.305  -9.472
 1457    HA   ARG  40           HA       ARG  40  13.742  -2.926 -12.341
 1458    HB2  ARG  40           HB2      ARG  40  12.208  -4.806 -10.566
 1459    HB3  ARG  40           HB3      ARG  40  11.928  -4.712 -12.302
 1460    HG2  ARG  40           HG2      ARG  40  14.526  -5.423 -10.955
 1461    HG3  ARG  40           HG3      ARG  40  13.423  -6.543 -11.757
 1462    HD2  ARG  40           HD2      ARG  40  14.909  -4.262 -13.056
 1463    HD3  ARG  40           HD3      ARG  40  15.300  -5.976 -13.204
 1464    HE   ARG  40           HE       ARG  40  12.763  -5.922 -14.078
 1465   HH11  ARG  40          HH12      ARG  40  15.527  -3.900 -14.858
 1466   HH12  ARG  40          HH11      ARG  40  14.999  -3.600 -16.490
 1467   HH21  ARG  40          HH22      ARG  40  12.072  -5.526 -16.226
 1468   HH22  ARG  40          HH21      ARG  40  13.041  -4.509 -17.260
 1469    H    GLU  41           H        GLU  41  11.055  -2.907  -9.961
 1470    HA   GLU  41           HA       GLU  41   9.555  -1.341 -11.919
 1471    HB2  GLU  41           HB2      GLU  41   8.755  -3.152  -9.694
 1472    HB3  GLU  41           HB3      GLU  41   7.648  -1.875 -10.180
 1473    HG2  GLU  41           HG2      GLU  41   6.991  -3.758 -11.413
 1474    HG3  GLU  41           HG3      GLU  41   7.885  -2.750 -12.537
 1475    H    LEU  42           H        LEU  42  11.255  -0.804  -9.006
 1476    HA   LEU  42           HA       LEU  42   9.783   1.749  -8.748
 1477    HB2  LEU  42           HB2      LEU  42  11.227   0.298  -6.530
 1478    HB3  LEU  42           HB3      LEU  42  10.334   1.797  -6.380
 1479    HG   LEU  42           HG       LEU  42   8.312   0.357  -7.202
 1480   HD11  LEU  42          HD11      LEU  42   9.617  -1.623  -7.739
 1481   HD12  LEU  42          HD12      LEU  42  10.137  -1.738  -6.054
 1482   HD13  LEU  42          HD13      LEU  42   8.436  -1.956  -6.468
 1483   HD21  LEU  42          HD21      LEU  42   8.462   1.423  -5.024
 1484   HD22  LEU  42          HD22      LEU  42   7.794  -0.203  -4.876
 1485   HD23  LEU  42          HD23      LEU  42   9.474   0.105  -4.433
 1486    HA   PRO  43           HA       PRO  43  14.490   2.149  -9.365
 1487    HB2  PRO  43           HB2      PRO  43  14.658   3.089 -11.892
 1488    HB3  PRO  43           HB3      PRO  43  14.637   1.365 -11.515
 1489    HG2  PRO  43           HG2      PRO  43  12.449   3.110 -12.537
 1490    HG3  PRO  43           HG3      PRO  43  12.818   1.421 -12.929
 1491    HD2  PRO  43           HD2      PRO  43  10.843   2.229 -11.185
 1492    HD3  PRO  43           HD3      PRO  43  11.610   0.629 -11.159
 1493    H    SER  44           H        SER  44  11.801   4.213 -10.163
 1494    HA   SER  44           HA       SER  44  13.283   6.669  -9.975
 1495    HB2  SER  44           HB2      SER  44  10.299   6.263  -9.687
 1496    HB3  SER  44           HB3      SER  44  11.136   7.754 -10.117
 1497    HG   SER  44           HG       SER  44  10.141   6.191 -11.810
 1498    H    PHE  45           H        PHE  45  11.390   4.622  -7.871
 1499    HA   PHE  45           HA       PHE  45  11.173   6.447  -5.698
 1500    HB2  PHE  45           HB2      PHE  45  10.761   3.455  -5.830
 1501    HB3  PHE  45           HB3      PHE  45  10.353   4.463  -4.450
 1502    HD1  PHE  45           HD1      PHE  45   8.596   6.232  -4.737
 1503    HD2  PHE  45           HD2      PHE  45   9.293   3.176  -7.607
 1504    HE1  PHE  45           HE1      PHE  45   6.347   6.587  -5.645
 1505    HE2  PHE  45           HE2      PHE  45   7.047   3.527  -8.538
 1506    HZ   PHE  45           HZ       PHE  45   5.567   5.223  -7.559
 1507    H    LEU  46           H        LEU  46  14.001   5.571  -6.671
 1508    HA   LEU  46           HA       LEU  46  14.856   4.527  -4.067
 1509    HB2  LEU  46           HB2      LEU  46  16.481   4.644  -6.610
 1510    HB3  LEU  46           HB3      LEU  46  16.942   3.871  -5.107
 1511    HG   LEU  46           HG       LEU  46  14.870   3.001  -7.093
 1512   HD11  LEU  46          HD11      LEU  46  17.198   1.592  -5.809
 1513   HD12  LEU  46          HD12      LEU  46  16.090   0.894  -6.992
 1514   HD13  LEU  46          HD13      LEU  46  17.141   2.234  -7.451
 1515   HD21  LEU  46          HD21      LEU  46  15.095   2.171  -4.201
 1516   HD22  LEU  46          HD22      LEU  46  13.695   2.816  -5.054
 1517   HD23  LEU  46          HD23      LEU  46  14.284   1.200  -5.431
 1518    H    GLY  47           H        GLY  47  14.709   7.351  -5.870
 1519    HA2  GLY  47           HA2      GLY  47  15.453   9.492  -5.505
 1520    HA3  GLY  47           HA3      GLY  47  15.972   8.961  -3.915
 1521    H    LYS  48           H        LYS  48  17.790   6.996  -4.791
 1522    HA   LYS  48           HA       LYS  48  19.716   8.360  -6.540
 1523    HB2  LYS  48           HB2      LYS  48  20.516   8.792  -4.294
 1524    HB3  LYS  48           HB3      LYS  48  20.290   7.110  -3.842
 1525    HG2  LYS  48           HG2      LYS  48  22.037   6.524  -5.557
 1526    HG3  LYS  48           HG3      LYS  48  22.357   8.255  -5.704
 1527    HD2  LYS  48           HD2      LYS  48  22.876   8.365  -3.318
 1528    HD3  LYS  48           HD3      LYS  48  22.537   6.642  -3.159
 1529    HE2  LYS  48           HE2      LYS  48  24.693   7.829  -4.904
 1530    HE3  LYS  48           HE3      LYS  48  24.954   7.156  -3.297
 1531    HZ1  LYS  48           HZ1      LYS  48  24.022   5.695  -5.711
 1532    HZ2  LYS  48           HZ2      LYS  48  24.083   5.016  -4.154
 1533    HZ3  LYS  48           HZ3      LYS  48  25.511   5.518  -4.918
 1534    H    ARG  49           H        ARG  49  19.747   5.424  -4.593
 1535    HA   ARG  49           HA       ARG  49  19.019   3.505  -6.430
 1536    HB2  ARG  49           HB2      ARG  49  20.908   4.163  -7.817
 1537    HB3  ARG  49           HB3      ARG  49  22.001   4.064  -6.446
 1538    HG2  ARG  49           HG2      ARG  49  22.244   2.163  -7.965
 1539    HG3  ARG  49           HG3      ARG  49  21.724   1.660  -6.356
 1540    HD2  ARG  49           HD2      ARG  49  20.473   0.422  -7.984
 1541    HD3  ARG  49           HD3      ARG  49  19.394   1.568  -7.195
 1542    HE   ARG  49           HE       ARG  49  19.987   2.983  -9.316
 1543   HH11  ARG  49          HH12      ARG  49  19.544  -0.499  -9.206
 1544   HH12  ARG  49          HH11      ARG  49  18.760  -0.575 -10.760
 1545   HH21  ARG  49          HH22      ARG  49  18.946   2.886 -11.350
 1546   HH22  ARG  49          HH21      ARG  49  18.412   1.351 -11.974
 1547    H    THR  50           H        THR  50  18.887   1.570  -5.346
 1548    HA   THR  50           HA       THR  50  19.591   1.465  -2.604
 1549    HB   THR  50           HB       THR  50  18.918  -0.969  -2.848
 1550    HG1  THR  50           HG1      THR  50  19.415  -1.074  -5.128
 1551   HG21  THR  50          HG21      THR  50  16.538  -0.435  -3.160
 1552   HG22  THR  50          HG22      THR  50  16.982   1.143  -3.810
 1553   HG23  THR  50          HG23      THR  50  17.336   0.751  -2.128
 1554    H    ASP  51           H        ASP  51  21.739   1.597  -2.216
 1555    HA   ASP  51           HA       ASP  51  23.599  -0.144  -3.639
 1556    HB2  ASP  51           HB2      ASP  51  24.120   1.950  -1.511
 1557    HB3  ASP  51           HB3      ASP  51  25.355   1.077  -2.409
 1558    H    GLU  52           H        GLU  52  25.331  -1.203  -2.151
 1559    HA   GLU  52           HA       GLU  52  23.960  -2.998  -0.428
 1560    HB2  GLU  52           HB2      GLU  52  26.882  -2.546  -0.981
 1561    HB3  GLU  52           HB3      GLU  52  26.326  -3.744   0.181
 1562    HG2  GLU  52           HG2      GLU  52  25.624  -3.665  -2.745
 1563    HG3  GLU  52           HG3      GLU  52  26.783  -4.753  -1.981
 1564    H    ALA  53           H        ALA  53  26.168  -0.281   0.206
 1565    HA   ALA  53           HA       ALA  53  25.981  -0.543   3.051
 1566    HB1  ALA  53           HB1      ALA  53  26.858   1.805   1.372
 1567    HB2  ALA  53           HB2      ALA  53  27.064   1.660   3.118
 1568    HB3  ALA  53           HB3      ALA  53  27.902   0.548   2.035
 1569    H    ALA  54           H        ALA  54  23.914   0.625   0.670
 1570    HA   ALA  54           HA       ALA  54  22.518   2.488   2.410
 1571    HB1  ALA  54           HB1      ALA  54  22.809   2.993   0.012
 1572    HB2  ALA  54           HB2      ALA  54  21.832   1.576  -0.381
 1573    HB3  ALA  54           HB3      ALA  54  21.113   2.929   0.490
 1574    H    PHE  55           H        PHE  55  22.107  -0.703   0.981
 1575    HA   PHE  55           HA       PHE  55  19.410  -0.990   1.857
 1576    HB2  PHE  55           HB2      PHE  55  21.020  -2.323   0.056
 1577    HB3  PHE  55           HB3      PHE  55  20.792  -3.501   1.348
 1578    HD1  PHE  55           HD2      PHE  55  18.372  -3.876   2.156
 1579    HD2  PHE  55           HD1      PHE  55  19.393  -2.034  -1.537
 1580    HE1  PHE  55           HE2      PHE  55  16.119  -4.359   1.299
 1581    HE2  PHE  55           HE1      PHE  55  17.145  -2.503  -2.399
 1582    HZ   PHE  55           HZ       PHE  55  15.500  -3.671  -0.984
 1583    H    GLN  56           H        GLN  56  22.480  -1.558   3.361
 1584    HA   GLN  56           HA       GLN  56  21.610  -3.295   5.420
 1585    HB2  GLN  56           HB2      GLN  56  23.584  -2.664   6.615
 1586    HB3  GLN  56           HB3      GLN  56  24.016  -2.695   4.912
 1587    HG2  GLN  56           HG2      GLN  56  23.776  -0.254   4.825
 1588    HG3  GLN  56           HG3      GLN  56  23.402  -0.246   6.549
 1589   HE21  GLN  56          HE21      GLN  56  25.562   1.059   5.144
 1590   HE22  GLN  56          HE22      GLN  56  27.036   0.454   5.829
 1591    H    LYS  57           H        LYS  57  21.122   0.017   4.735
 1592    HA   LYS  57           HA       LYS  57  19.935   0.632   7.309
 1593    HB2  LYS  57           HB2      LYS  57  19.990   2.155   4.694
 1594    HB3  LYS  57           HB3      LYS  57  19.299   2.765   6.184
 1595    HG2  LYS  57           HG2      LYS  57  21.493   2.762   7.224
 1596    HG3  LYS  57           HG3      LYS  57  22.198   2.095   5.746
 1597    HD2  LYS  57           HD2      LYS  57  21.434   4.087   4.508
 1598    HD3  LYS  57           HD3      LYS  57  20.796   4.780   6.012
 1599    HE2  LYS  57           HE2      LYS  57  23.692   4.018   5.519
 1600    HE3  LYS  57           HE3      LYS  57  23.041   5.649   5.358
 1601    HZ1  LYS  57           HZ1      LYS  57  22.667   5.805   7.641
 1602    HZ2  LYS  57           HZ2      LYS  57  24.180   5.040   7.530
 1603    HZ3  LYS  57           HZ3      LYS  57  22.793   4.130   7.887
 1604    H    LEU  58           H        LEU  58  18.987   0.139   3.959
 1605    HA   LEU  58           HA       LEU  58  16.340   0.900   4.162
 1606    HB2  LEU  58           HB2      LEU  58  17.616   0.615   2.066
 1607    HB3  LEU  58           HB3      LEU  58  17.489  -1.126   2.259
 1608    HG   LEU  58           HG       LEU  58  15.054  -0.984   2.078
 1609   HD11  LEU  58          HD11      LEU  58  13.931   1.053   1.636
 1610   HD12  LEU  58          HD12      LEU  58  14.938   1.318   3.051
 1611   HD13  LEU  58          HD13      LEU  58  15.448   1.938   1.479
 1612   HD21  LEU  58          HD21      LEU  58  16.552  -1.164   0.053
 1613   HD22  LEU  58          HD22      LEU  58  14.923  -0.554  -0.232
 1614   HD23  LEU  58          HD23      LEU  58  16.284   0.565  -0.181
 1615    H    MET  59           H        MET  59  17.519  -2.460   3.995
 1616    HA   MET  59           HA       MET  59  15.169  -3.803   4.273
 1617    HB2  MET  59           HB2      MET  59  16.987  -5.178   3.905
 1618    HB3  MET  59           HB3      MET  59  17.948  -4.425   5.167
 1619    HG2  MET  59           HG2      MET  59  17.232  -6.763   5.644
 1620    HG3  MET  59           HG3      MET  59  16.775  -5.588   6.875
 1621    HE1  MET  59           HE1      MET  59  15.545  -6.520   3.440
 1622    HE2  MET  59           HE2      MET  59  15.145  -8.132   4.075
 1623    HE3  MET  59           HE3      MET  59  13.850  -6.997   3.652
 1624    H    SER  60           H        SER  60  17.179  -2.725   7.033
 1625    HA   SER  60           HA       SER  60  15.294  -3.888   8.852
 1626    HB2  SER  60           HB2      SER  60  16.849  -2.855  10.580
 1627    HB3  SER  60           HB3      SER  60  17.541  -4.061   9.494
 1628    HG   SER  60           HG       SER  60  18.410  -1.629   9.909
 1629    H    ASN  61           H        ASN  61  15.240  -1.037   7.166
 1630    HA   ASN  61           HA       ASN  61  13.746   0.389   9.223
 1631    HB2  ASN  61           HB2      ASN  61  14.840   1.144   6.568
 1632    HB3  ASN  61           HB3      ASN  61  13.432   2.010   7.175
 1633   HD21  ASN  61          HD21      ASN  61  16.806   1.346   7.634
 1634   HD22  ASN  61          HD22      ASN  61  17.098   2.613   8.776
 1635    H    LEU  62           H        LEU  62  13.299  -1.791   6.651
 1636    HA   LEU  62           HA       LEU  62  10.428  -1.274   6.646
 1637    HB2  LEU  62           HB2      LEU  62  12.236  -3.096   5.103
 1638    HB3  LEU  62           HB3      LEU  62  10.529  -3.476   5.222
 1639    HG   LEU  62           HG       LEU  62  10.838  -2.327   3.180
 1640   HD11  LEU  62          HD11      LEU  62   8.839  -1.691   4.373
 1641   HD12  LEU  62          HD12      LEU  62   9.739  -0.438   5.244
 1642   HD13  LEU  62          HD13      LEU  62   9.485  -0.298   3.505
 1643   HD21  LEU  62          HD21      LEU  62  12.244  -0.160   4.726
 1644   HD22  LEU  62          HD22      LEU  62  13.006  -1.323   3.635
 1645   HD23  LEU  62          HD23      LEU  62  11.870  -0.134   3.001
 1646    H    ASP  63           H        ASP  63  12.430  -4.170   7.029
 1647    HA   ASP  63           HA       ASP  63  10.478  -5.535   8.556
 1648    HB2  ASP  63           HB2      ASP  63  12.057  -6.825   7.296
 1649    HB3  ASP  63           HB3      ASP  63  13.417  -6.061   8.113
 1650    H    SER  64           H        SER  64   9.846  -4.605  10.370
 1651    HA   SER  64           HA       SER  64  11.812  -3.532  12.237
 1652    HB2  SER  64           HB2      SER  64   8.793  -3.611  12.440
 1653    HB3  SER  64           HB3      SER  64   9.891  -2.653  13.437
 1654    HG   SER  64           HG       SER  64   9.788  -2.413  10.612
 1655    H    ASN  65           H        ASN  65  10.514  -6.465  11.528
 1656    HA   ASN  65           HA       ASN  65  10.256  -7.483  14.222
 1657    HB2  ASN  65           HB2      ASN  65  10.459  -9.020  11.618
 1658    HB3  ASN  65           HB3      ASN  65   9.926  -9.659  13.171
 1659   HD21  ASN  65          HD21      ASN  65   9.075  -7.830  10.383
 1660   HD22  ASN  65          HD22      ASN  65   7.391  -7.654  10.748
 1661    H    ARG  66           H        ARG  66  12.693  -6.994  11.883
 1662    HA   ARG  66           HA       ARG  66  14.943  -7.146  11.971
 1663    HB2  ARG  66           HB2      ARG  66  14.383  -7.760  14.873
 1664    HB3  ARG  66           HB3      ARG  66  16.005  -7.565  14.218
 1665    HG2  ARG  66           HG2      ARG  66  15.738  -5.307  13.855
 1666    HG3  ARG  66           HG3      ARG  66  13.979  -5.421  13.777
 1667    HD2  ARG  66           HD2      ARG  66  15.586  -5.870  16.284
 1668    HD3  ARG  66           HD3      ARG  66  14.881  -4.317  15.835
 1669    HE   ARG  66           HE       ARG  66  12.713  -5.791  15.765
 1670   HH11  ARG  66          HH12      ARG  66  15.329  -5.907  18.091
 1671   HH12  ARG  66          HH11      ARG  66  14.306  -6.431  19.404
 1672   HH21  ARG  66          HH22      ARG  66  11.361  -6.468  17.483
 1673   HH22  ARG  66          HH21      ARG  66  12.053  -6.759  19.056
 1674    H    ASP  67           H        ASP  67  13.938  -9.079  10.688
 1675    HA   ASP  67           HA       ASP  67  15.355 -11.504  11.612
 1676    HB2  ASP  67           HB2      ASP  67  12.843 -11.717  11.599
 1677    HB3  ASP  67           HB3      ASP  67  12.882 -11.429   9.861
 1678    H    ASN  68           H        ASN  68  15.132  -9.015   9.418
 1679    HA   ASN  68           HA       ASN  68  16.479  -8.437   7.668
 1680    HB2  ASN  68           HB2      ASN  68  18.180 -10.012   8.679
 1681    HB3  ASN  68           HB3      ASN  68  17.538 -11.240   7.607
 1682   HD21  ASN  68          HD21      ASN  68  18.064 -11.218   5.459
 1683   HD22  ASN  68          HD22      ASN  68  19.249 -10.145   4.788
 1684    H    GLU  69           H        GLU  69  13.910 -10.146   7.698
 1685    HA   GLU  69           HA       GLU  69  13.776 -10.608   4.809
 1686    HB2  GLU  69           HB2      GLU  69  12.557 -12.499   6.840
 1687    HB3  GLU  69           HB3      GLU  69  12.633 -12.712   5.101
 1688    HG2  GLU  69           HG2      GLU  69  15.062 -12.663   6.868
 1689    HG3  GLU  69           HG3      GLU  69  14.188 -14.135   6.453
 1690    H    VAL  70           H        VAL  70  12.288  -9.115   4.232
 1691    HA   VAL  70           HA       VAL  70  10.297  -8.148   6.012
 1692    HB   VAL  70           HB       VAL  70  10.969  -7.664   3.144
 1693   HG11  VAL  70          HG11      VAL  70   9.037  -6.187   2.883
 1694   HG12  VAL  70          HG12      VAL  70   8.532  -7.862   3.102
 1695   HG13  VAL  70          HG13      VAL  70   8.413  -6.725   4.443
 1696   HG21  VAL  70          HG21      VAL  70  10.473  -5.830   5.482
 1697   HG22  VAL  70          HG22      VAL  70  12.055  -6.449   4.999
 1698   HG23  VAL  70          HG23      VAL  70  11.157  -5.384   3.917
 1699    H    ASP  71           H        ASP  71   8.465  -9.014   6.540
 1700    HA   ASP  71           HA       ASP  71   7.402 -11.280   5.078
 1701    HB2  ASP  71           HB2      ASP  71   7.619 -11.266   7.575
 1702    HB3  ASP  71           HB3      ASP  71   6.399  -9.996   7.635
 1703    H    PHE  72           H        PHE  72   4.683 -11.088   5.472
 1704    HA   PHE  72           HA       PHE  72   4.079  -9.795   3.065
 1705    HB2  PHE  72           HB2      PHE  72   2.911 -11.761   4.443
 1706    HB3  PHE  72           HB3      PHE  72   1.846 -10.436   4.904
 1707    HD1  PHE  72           HD1      PHE  72   2.488  -9.048   2.087
 1708    HD2  PHE  72           HD2      PHE  72   0.981 -12.824   3.345
 1709    HE1  PHE  72           HE1      PHE  72   1.308  -9.277  -0.058
 1710    HE2  PHE  72           HE2      PHE  72  -0.208 -13.062   1.208
 1711    HZ   PHE  72           HZ       PHE  72  -0.045 -11.293  -0.492
 1712    H    GLN  73           H        GLN  73   2.960  -8.901   6.379
 1713    HA   GLN  73           HA       GLN  73   1.622  -6.580   5.415
 1714    HB2  GLN  73           HB2      GLN  73   1.037  -7.672   7.585
 1715    HB3  GLN  73           HB3      GLN  73   2.548  -7.093   8.250
 1716    HG2  GLN  73           HG2      GLN  73   1.859  -4.799   7.912
 1717    HG3  GLN  73           HG3      GLN  73   0.324  -5.365   7.249
 1718   HE21  GLN  73          HE21      GLN  73   1.117  -3.790   9.690
 1719   HE22  GLN  73          HE22      GLN  73   0.299  -4.595  10.991
 1720    H    GLU  74           H        GLU  74   4.845  -7.234   6.637
 1721    HA   GLU  74           HA       GLU  74   5.731  -4.566   6.854
 1722    HB2  GLU  74           HB2      GLU  74   6.848  -6.877   7.534
 1723    HB3  GLU  74           HB3      GLU  74   7.607  -6.708   5.956
 1724    HG2  GLU  74           HG2      GLU  74   9.118  -5.764   7.467
 1725    HG3  GLU  74           HG3      GLU  74   8.310  -4.379   6.709
 1726    H    TYR  75           H        TYR  75   5.652  -6.871   4.220
 1727    HA   TYR  75           HA       TYR  75   7.054  -5.382   2.303
 1728    HB2  TYR  75           HB2      TYR  75   6.584  -7.765   2.036
 1729    HB3  TYR  75           HB3      TYR  75   4.857  -7.436   1.953
 1730    HD1  TYR  75           HD1      TYR  75   3.875  -6.449  -0.063
 1731    HD2  TYR  75           HD2      TYR  75   8.030  -7.356   0.170
 1732    HE1  TYR  75           HE1      TYR  75   4.043  -6.218  -2.503
 1733    HE2  TYR  75           HE2      TYR  75   8.214  -7.116  -2.282
 1734    HH   TYR  75           HH       TYR  75   6.810  -7.211  -4.252
 1735    H    CYS  76           H        CYS  76   3.685  -5.373   3.282
 1736    HA   CYS  76           HA       CYS  76   2.982  -3.694   1.052
 1737    HB2  CYS  76           HB2      CYS  76   1.267  -4.664   3.346
 1738    HB3  CYS  76           HB3      CYS  76   0.690  -3.960   1.836
 1739    HG   CYS  76           HG       CYS  76   2.321  -6.958   2.148
 1740    H    VAL  77           H        VAL  77   3.318  -3.347   4.606
 1741    HA   VAL  77           HA       VAL  77   2.499  -0.637   4.663
 1742    HB   VAL  77           HB       VAL  77   2.808  -1.827   6.777
 1743   HG11  VAL  77          HG11      VAL  77   5.083  -2.307   7.612
 1744   HG12  VAL  77          HG12      VAL  77   4.631  -3.265   6.199
 1745   HG13  VAL  77          HG13      VAL  77   5.712  -1.884   6.016
 1746   HG21  VAL  77          HG21      VAL  77   3.031   0.617   6.845
 1747   HG22  VAL  77          HG22      VAL  77   4.085  -0.147   8.036
 1748   HG23  VAL  77          HG23      VAL  77   4.766   0.471   6.532
 1749    H    PHE  78           H        PHE  78   5.552  -2.234   3.999
 1750    HA   PHE  78           HA       PHE  78   7.260  -0.204   3.384
 1751    HB2  PHE  78           HB2      PHE  78   8.054  -2.375   3.031
 1752    HB3  PHE  78           HB3      PHE  78   6.647  -2.839   2.086
 1753    HD1  PHE  78           HD1      PHE  78   9.853  -1.120   2.058
 1754    HD2  PHE  78           HD2      PHE  78   6.534  -2.420  -0.278
 1755    HE1  PHE  78           HE1      PHE  78  11.152  -0.733  -0.015
 1756    HE2  PHE  78           HE2      PHE  78   7.813  -2.033  -2.344
 1757    HZ   PHE  78           HZ       PHE  78  10.132  -1.191  -2.212
 1758    H    LEU  79           H        LEU  79   4.815  -1.578   1.244
 1759    HA   LEU  79           HA       LEU  79   5.188   0.119  -0.917
 1760    HB2  LEU  79           HB2      LEU  79   3.013  -1.650   0.033
 1761    HB3  LEU  79           HB3      LEU  79   2.631  -0.499  -1.235
 1762    HG   LEU  79           HG       LEU  79   5.054  -1.804  -1.940
 1763   HD11  LEU  79          HD11      LEU  79   2.797  -3.665  -1.234
 1764   HD12  LEU  79          HD12      LEU  79   4.260  -4.098  -2.118
 1765   HD13  LEU  79          HD13      LEU  79   4.366  -3.590  -0.433
 1766   HD21  LEU  79          HD21      LEU  79   3.141  -0.712  -3.238
 1767   HD22  LEU  79          HD22      LEU  79   3.918  -2.163  -3.919
 1768   HD23  LEU  79          HD23      LEU  79   2.351  -2.296  -3.107
 1769    H    SER  80           H        SER  80   2.893   0.346   1.754
 1770    HA   SER  80           HA       SER  80   1.660   2.676   0.694
 1771    HB2  SER  80           HB2      SER  80   0.779   2.751   3.154
 1772    HB3  SER  80           HB3      SER  80   0.263   1.474   2.048
 1773    HG   SER  80           HG       SER  80   1.477   0.035   3.086
 1774    H    CYS  81           H        CYS  81   4.298   2.026   2.854
 1775    HA   CYS  81           HA       CYS  81   4.648   4.699   3.714
 1776    HB2  CYS  81           HB2      CYS  81   6.531   2.354   3.617
 1777    HB3  CYS  81           HB3      CYS  81   6.945   3.913   4.332
 1778    HG   CYS  81           HG       CYS  81   4.703   1.606   5.417
 1779    H    ILE  82           H        ILE  82   5.309   3.109   0.747
 1780    HA   ILE  82           HA       ILE  82   7.072   5.247  -0.117
 1781    HB   ILE  82           HB       ILE  82   5.752   3.143  -1.861
 1782   HG12  ILE  82          HG12      ILE  82   8.306   3.135  -0.279
 1783   HG13  ILE  82          HG13      ILE  82   7.124   1.845  -0.495
 1784   HG21  ILE  82          HG21      ILE  82   7.500   3.771  -3.453
 1785   HG22  ILE  82          HG22      ILE  82   6.519   5.172  -3.017
 1786   HG23  ILE  82          HG23      ILE  82   8.127   4.964  -2.313
 1787   HD11  ILE  82          HD11      ILE  82   9.082   2.854  -2.551
 1788   HD12  ILE  82          HD12      ILE  82   9.173   1.328  -1.665
 1789   HD13  ILE  82          HD13      ILE  82   7.868   1.589  -2.826
 1790    H    ALA  83           H        ALA  83   3.891   4.015  -1.161
 1791    HA   ALA  83           HA       ALA  83   3.258   6.155  -2.831
 1792    HB1  ALA  83           HB1      ALA  83   2.059   4.028  -2.858
 1793    HB2  ALA  83           HB2      ALA  83   1.343   4.411  -1.292
 1794    HB3  ALA  83           HB3      ALA  83   0.954   5.399  -2.703
 1795    H    MET  84           H        MET  84   2.630   5.721   0.625
 1796    HA   MET  84           HA       MET  84   1.149   8.151   0.812
 1797    HB2  MET  84           HB2      MET  84   0.640   6.407   2.364
 1798    HB3  MET  84           HB3      MET  84   2.305   6.363   2.923
 1799    HG2  MET  84           HG2      MET  84   1.974   8.740   3.697
 1800    HG3  MET  84           HG3      MET  84   0.253   8.499   3.379
 1801    HE1  MET  84           HE1      MET  84   2.399   5.552   4.289
 1802    HE2  MET  84           HE2      MET  84   3.339   6.778   5.159
 1803    HE3  MET  84           HE3      MET  84   2.456   5.516   6.064
 1804    H    MET  85           H        MET  85   4.479   7.209   1.307
 1805    HA   MET  85           HA       MET  85   5.450   9.498   2.566
 1806    HB2  MET  85           HB2      MET  85   6.717   7.428   2.142
 1807    HB3  MET  85           HB3      MET  85   6.816   7.872   0.435
 1808    HG2  MET  85           HG2      MET  85   7.782  10.101   1.509
 1809    HG3  MET  85           HG3      MET  85   8.247   8.968   2.771
 1810    HE1  MET  85           HE1      MET  85  10.410   6.613   1.729
 1811    HE2  MET  85           HE2      MET  85   8.635   6.625   1.898
 1812    HE3  MET  85           HE3      MET  85   9.387   6.183   0.345
 1813    H    CYS  86           H        CYS  86   4.407   8.900  -0.659
 1814    HA   CYS  86           HA       CYS  86   5.643  11.023  -2.017
 1815    HB2  CYS  86           HB2      CYS  86   4.752   9.167  -3.242
 1816    HB3  CYS  86           HB3      CYS  86   3.140   9.437  -2.589
 1817    HG   CYS  86           HG       CYS  86   3.860  10.222  -5.442
 1818    H    ASN  87           H        ASN  87   2.960  11.033   0.179
 1819    HA   ASN  87           HA       ASN  87   1.505  13.170  -0.880
 1820    HB2  ASN  87           HB2      ASN  87   0.531  13.533   1.329
 1821    HB3  ASN  87           HB3      ASN  87   0.566  11.830   0.921
 1822   HD21  ASN  87          HD21      ASN  87   3.333  13.656   2.194
 1823   HD22  ASN  87          HD22      ASN  87   3.395  12.810   3.700
 1824    H    GLU  88           H        GLU  88   4.578  13.194   0.592
 1825    HA   GLU  88           HA       GLU  88   4.459  15.984   1.327
 1826    HB2  GLU  88           HB2      GLU  88   6.792  14.075   1.156
 1827    HB3  GLU  88           HB3      GLU  88   6.891  15.720   1.768
 1828    HG2  GLU  88           HG2      GLU  88   5.142  15.058   3.464
 1829    HG3  GLU  88           HG3      GLU  88   5.409  13.394   2.949
 1830    H    PHE  89           H        PHE  89   5.462  14.100  -1.419
 1831    HA   PHE  89           HA       PHE  89   6.754  16.374  -2.695
 1832    HB2  PHE  89           HB2      PHE  89   6.445  13.480  -3.501
 1833    HB3  PHE  89           HB3      PHE  89   7.212  14.696  -4.522
 1834    HD1  PHE  89           HD2      PHE  89   9.348  15.672  -3.907
 1835    HD2  PHE  89           HD1      PHE  89   7.543  12.627  -1.544
 1836    HE1  PHE  89           HE2      PHE  89  11.493  15.293  -2.766
 1837    HE2  PHE  89           HE1      PHE  89   9.686  12.245  -0.396
 1838    HZ   PHE  89           HZ       PHE  89  11.663  13.579  -1.008
 1839    H    PHE  90           H        PHE  90   4.426  13.947  -3.846
 1840    HA   PHE  90           HA       PHE  90   3.623  15.667  -6.003
 1841    HB2  PHE  90           HB2      PHE  90   3.856  13.263  -6.335
 1842    HB3  PHE  90           HB3      PHE  90   2.623  12.952  -5.114
 1843    HD1  PHE  90           HD1      PHE  90   3.222  14.363  -8.478
 1844    HD2  PHE  90           HD2      PHE  90   0.329  12.981  -5.678
 1845    HE1  PHE  90           HE1      PHE  90   1.504  14.404 -10.239
 1846    HE2  PHE  90           HE2      PHE  90  -1.394  13.020  -7.434
 1847    HZ   PHE  90           HZ       PHE  90  -0.807  13.730  -9.718
 1848    H    GLU  91           H        GLU  91   1.888  14.137  -3.311
 1849    HA   GLU  91           HA       GLU  91  -0.601  15.311  -3.689
 1850    HB2  GLU  91           HB2      GLU  91  -0.584  13.556  -2.198
 1851    HB3  GLU  91           HB3      GLU  91   0.850  14.129  -1.368
 1852    HG2  GLU  91           HG2      GLU  91  -0.903  14.377   0.152
 1853    HG3  GLU  91           HG3      GLU  91  -0.598  15.998  -0.459
 1854    H    GLY  92           H        GLY  92   2.096  16.463  -1.658
 1855    HA2  GLY  92           HA2      GLY  92   2.530  18.628  -0.931
 1856    HA3  GLY  92           HA3      GLY  92   1.177  19.186  -1.912
 1857    H    PHE  93           H        PHE  93   1.332  16.794   0.657
 1858    HA   PHE  93           HA       PHE  93  -1.151  17.438   1.773
 1859    HB2  PHE  93           HB2      PHE  93   0.103  15.245   2.031
 1860    HB3  PHE  93           HB3      PHE  93   1.170  16.073   3.163
 1861    HD1  PHE  93           HD1      PHE  93  -2.319  15.009   2.586
 1862    HD2  PHE  93           HD2      PHE  93   0.548  16.397   5.408
 1863    HE1  PHE  93           HE1      PHE  93  -3.880  14.499   4.416
 1864    HE2  PHE  93           HE2      PHE  93  -1.009  15.890   7.244
 1865    HZ   PHE  93           HZ       PHE  93  -3.227  14.940   6.749
 1866    HA   PRO  94           HA       PRO  94   0.081  21.176   3.393
 1867    HB2  PRO  94           HB2      PRO  94  -1.932  21.656   5.206
 1868    HB3  PRO  94           HB3      PRO  94  -2.096  21.856   3.458
 1869    HG2  PRO  94           HG2      PRO  94  -2.945  19.577   5.194
 1870    HG3  PRO  94           HG3      PRO  94  -3.779  20.303   3.806
 1871    HD2  PRO  94           HD2      PRO  94  -2.393  17.975   3.639
 1872    HD3  PRO  94           HD3      PRO  94  -2.538  19.109   2.280
 1873    H    ASP  95           H        ASP  95   1.954  20.437   4.376
 1874    HA   ASP  95           HA       ASP  95   1.921  20.741   7.285
 1875    HB2  ASP  95           HB2      ASP  95   2.126  18.313   6.837
 1876    HB3  ASP  95           HB3      ASP  95   3.509  18.626   5.794
 1877    H    LYS  96           H        LYS  96   4.007  20.292   4.462
 1878    HA   LYS  96           HA       LYS  96   5.438  21.662   3.387
 1879    HB2  LYS  96           HB2      LYS  96   3.626  23.325   3.726
 1880    HB3  LYS  96           HB3      LYS  96   4.411  23.831   5.212
 1881    HG2  LYS  96           HG2      LYS  96   6.263  24.715   4.045
 1882    HG3  LYS  96           HG3      LYS  96   5.777  23.930   2.539
 1883    HD2  LYS  96           HD2      LYS  96   3.737  25.319   2.513
 1884    HD3  LYS  96           HD3      LYS  96   4.302  26.140   3.968
 1885    HE2  LYS  96           HE2      LYS  96   6.222  26.998   2.791
 1886    HE3  LYS  96           HE3      LYS  96   5.799  26.068   1.353
 1887    HZ1  LYS  96           HZ1      LYS  96   3.886  27.389   1.006
 1888    HZ2  LYS  96           HZ2      LYS  96   5.155  28.476   1.308
 1889    HZ3  LYS  96           HZ3      LYS  96   4.022  28.135   2.522
 1890    H    GLN  97           H        GLN  97   7.412  21.014   3.772
 1891    HA   GLN  97           HA       GLN  97   8.819  22.116   6.119
 1892    HB2  GLN  97           HB2      GLN  97   9.117  19.328   4.973
 1893    HB3  GLN  97           HB3      GLN  97  10.151  20.018   6.216
 1894    HG2  GLN  97           HG2      GLN  97   7.193  19.539   6.473
 1895    HG3  GLN  97           HG3      GLN  97   8.464  18.512   7.135
 1896   HE21  GLN  97          HE21      GLN  97   6.302  19.998   8.438
 1897   HE22  GLN  97          HE22      GLN  97   7.080  21.018   9.609
 1898    HA   PRO  98           HA       PRO  98  11.088  24.020   2.742
 1899    HB2  PRO  98           HB2      PRO  98  13.013  24.362   4.999
 1900    HB3  PRO  98           HB3      PRO  98  12.438  25.547   3.819
 1901    HG2  PRO  98           HG2      PRO  98  11.488  25.543   6.304
 1902    HG3  PRO  98           HG3      PRO  98  10.424  25.867   4.923
 1903    HD2  PRO  98           HD2      PRO  98  10.654  23.423   6.606
 1904    HD3  PRO  98           HD3      PRO  98   9.230  24.113   5.803
 1905    H    ARG  99           H        ARG  99  12.424  21.652   4.956
 1906    HA   ARG  99           HA       ARG  99  14.851  21.053   3.738
 1907    HB2  ARG  99           HB2      ARG  99  12.917  19.237   5.182
 1908    HB3  ARG  99           HB3      ARG  99  14.573  18.804   4.781
 1909    HG2  ARG  99           HG2      ARG  99  15.452  20.416   6.266
 1910    HG3  ARG  99           HG3      ARG  99  13.876  21.186   6.472
 1911    HD2  ARG  99           HD2      ARG  99  14.505  19.786   8.400
 1912    HD3  ARG  99           HD3      ARG  99  13.030  19.229   7.611
 1913    HE   ARG  99           HE       ARG  99  15.540  17.957   6.836
 1914   HH11  ARG  99          HH12      ARG  99  12.517  17.781   8.601
 1915   HH12  ARG  99          HH11      ARG  99  12.604  16.054   8.832
 1916   HH21  ARG  99          HH22      ARG  99  15.667  15.706   7.147
 1917   HH22  ARG  99          HH21      ARG  99  14.404  14.875   8.008
 1918    H    LYS 100           H        LYS 100  11.641  20.348   2.659
 1919    HA   LYS 100           HA       LYS 100  12.674  18.661   0.515
 1920    HB2  LYS 100           HB2      LYS 100  12.177  16.964   2.017
 1921    HB3  LYS 100           HB3      LYS 100  10.816  17.826   2.704
 1922    HG2  LYS 100           HG2      LYS 100  10.628  16.848  -0.103
 1923    HG3  LYS 100           HG3      LYS 100  10.473  15.698   1.226
 1924    HD2  LYS 100           HD2      LYS 100   8.768  18.119   0.663
 1925    HD3  LYS 100           HD3      LYS 100   8.272  16.426   0.671
 1926    HE2  LYS 100           HE2      LYS 100   8.570  16.288   3.049
 1927    HE3  LYS 100           HE3      LYS 100   9.288  17.896   3.098
 1928    HZ1  LYS 100           HZ1      LYS 100   6.938  17.836   3.817
 1929    HZ2  LYS 100           HZ2      LYS 100   6.497  17.347   2.260
 1930    HZ3  LYS 100           HZ3      LYS 100   7.198  18.870   2.494
 1931    H    LYS 101           H        LYS 101   9.789  20.176   1.920
 1932    HA   LYS 101           HA       LYS 101   8.967  21.584  -0.320
 1933    HB2  LYS 101           HB2      LYS 101   8.619  19.368  -1.370
 1934    HB3  LYS 101           HB3      LYS 101   7.553  18.915  -0.049
 1935    HG2  LYS 101           HG2      LYS 101   6.267  19.518  -2.000
 1936    HG3  LYS 101           HG3      LYS 101   5.995  20.689  -0.709
 1937    HD2  LYS 101           HD2      LYS 101   6.264  21.797  -2.874
 1938    HD3  LYS 101           HD3      LYS 101   7.565  22.235  -1.765
 1939    HE2  LYS 101           HE2      LYS 101   9.024  20.582  -2.845
 1940    HE3  LYS 101           HE3      LYS 101   7.722  20.172  -3.961
 1941    HZ1  LYS 101           HZ1      LYS 101   7.789  22.401  -4.842
 1942    HZ2  LYS 101           HZ2      LYS 101   9.336  21.713  -4.923
 1943    HZ3  LYS 101           HZ3      LYS 101   8.978  22.853  -3.719
  Start of MODEL    8
    1    H1   GLN1897           H1       GLN1897 -17.168 -11.039  -1.535
    2    H2   GLN1897           H2       GLN1897 -16.821 -10.775   0.103
    3    H3   GLN1897           H3       GLN1897 -15.898 -10.004  -1.094
    4    HA   GLN1897           HA       GLN1897 -17.831  -8.775  -1.796
    5    HB2  GLN1897           HB2      GLN1897 -19.539 -10.405  -1.038
    6    HB3  GLN1897           HB3      GLN1897 -19.166  -9.944   0.625
    7    HG2  GLN1897           HG2      GLN1897 -21.097  -8.736  -0.008
    8    HG3  GLN1897           HG3      GLN1897 -19.741  -7.599   0.025
    9   HE21  GLN1897          HE21      GLN1897 -20.501  -6.158  -1.376
   10   HE22  GLN1897          HE22      GLN1897 -20.763  -6.471  -3.052
   11    H    ARG1898           H        ARG1898 -17.263  -9.452   1.515
   12    HA   ARG1898           HA       ARG1898 -16.630  -6.632   1.960
   13    HB2  ARG1898           HB2      ARG1898 -18.832  -7.536   3.047
   14    HB3  ARG1898           HB3      ARG1898 -17.743  -8.348   4.168
   15    HG2  ARG1898           HG2      ARG1898 -16.758  -6.199   4.778
   16    HG3  ARG1898           HG3      ARG1898 -17.834  -5.381   3.648
   17    HD2  ARG1898           HD2      ARG1898 -18.947  -5.089   5.635
   18    HD3  ARG1898           HD3      ARG1898 -19.711  -6.552   5.017
   19    HE   ARG1898           HE       ARG1898 -17.452  -6.959   6.793
   20   HH11  ARG1898          HH12      ARG1898 -20.926  -6.807   6.414
   21   HH12  ARG1898          HH11      ARG1898 -21.256  -7.551   7.955
   22   HH21  ARG1898          HH22      ARG1898 -17.862  -7.887   8.838
   23   HH22  ARG1898          HH21      ARG1898 -19.512  -8.139   9.343
   24    H    GLU1899           H        GLU1899 -15.023  -8.534   1.085
   25    HA   GLU1899           HA       GLU1899 -13.300  -9.787   2.864
   26    HB2  GLU1899           HB2      GLU1899 -11.613  -9.187   0.966
   27    HB3  GLU1899           HB3      GLU1899 -12.957 -10.261   0.615
   28    HG2  GLU1899           HG2      GLU1899 -14.077  -7.859   0.082
   29    HG3  GLU1899           HG3      GLU1899 -12.402  -7.546  -0.374
   30    H    LEU1900           H        LEU1900 -13.887  -6.493   2.193
   31    HA   LEU1900           HA       LEU1900 -11.529  -5.308   3.107
   32    HB2  LEU1900           HB2      LEU1900 -14.401  -4.351   3.120
   33    HB3  LEU1900           HB3      LEU1900 -13.067  -3.380   3.703
   34    HG   LEU1900           HG       LEU1900 -13.420  -2.606   1.575
   35   HD11  LEU1900          HD11      LEU1900 -11.468  -3.273   0.263
   36   HD12  LEU1900          HD12      LEU1900 -11.094  -2.959   1.959
   37   HD13  LEU1900          HD13      LEU1900 -11.211  -4.619   1.373
   38   HD21  LEU1900          HD21      LEU1900 -13.541  -5.407   0.534
   39   HD22  LEU1900          HD22      LEU1900 -14.929  -4.360   0.846
   40   HD23  LEU1900          HD23      LEU1900 -13.750  -3.917  -0.389
   41    H    GLU1901           H        GLU1901 -13.866  -7.126   4.763
   42    HA   GLU1901           HA       GLU1901 -13.618  -6.173   7.393
   43    HB2  GLU1901           HB2      GLU1901 -15.269  -7.870   6.633
   44    HB3  GLU1901           HB3      GLU1901 -13.962  -9.029   6.450
   45    HG2  GLU1901           HG2      GLU1901 -15.110  -9.455   8.502
   46    HG3  GLU1901           HG3      GLU1901 -13.501  -8.831   8.867
   47    H    ASP1902           H        ASP1902 -11.938  -8.931   5.874
   48    HA   ASP1902           HA       ASP1902  -9.934  -8.997   7.931
   49    HB2  ASP1902           HB2      ASP1902 -10.211 -10.476   5.311
   50    HB3  ASP1902           HB3      ASP1902  -8.865 -10.722   6.419
   51    H    ALA1903           H        ALA1903 -10.390  -7.278   5.063
   52    HA   ALA1903           HA       ALA1903  -7.679  -6.906   4.284
   53    HB1  ALA1903           HB1      ALA1903  -8.476  -5.198   2.842
   54    HB2  ALA1903           HB2      ALA1903  -9.698  -6.467   2.834
   55    HB3  ALA1903           HB3      ALA1903  -9.955  -4.999   3.785
   56    H    THR1904           H        THR1904  -9.980  -4.596   5.655
   57    HA   THR1904           HA       THR1904  -7.687  -2.886   6.159
   58    HB   THR1904           HB       THR1904  -9.326  -1.041   6.114
   59    HG1  THR1904           HG1      THR1904 -11.446  -1.435   5.866
   60   HG21  THR1904          HG21      THR1904  -9.894  -1.293   3.696
   61   HG22  THR1904          HG22      THR1904  -9.366  -2.973   3.792
   62   HG23  THR1904          HG23      THR1904  -8.211  -1.669   4.067
   63    H    GLU1905           H        GLU1905  -9.608  -4.933   7.916
   64    HA   GLU1905           HA       GLU1905  -9.816  -3.602  10.383
   65    HB2  GLU1905           HB2      GLU1905 -10.687  -5.866  10.042
   66    HB3  GLU1905           HB3      GLU1905  -9.052  -6.459   9.775
   67    HG2  GLU1905           HG2      GLU1905  -8.455  -6.127  12.031
   68    HG3  GLU1905           HG3      GLU1905  -9.914  -5.204  12.360
   69    H    THR1906           H        THR1906  -7.306  -5.567   8.944
   70    HA   THR1906           HA       THR1906  -5.257  -4.989  10.784
   71    HB   THR1906           HB       THR1906  -4.155  -5.706   8.274
   72    HG1  THR1906           HG1      THR1906  -5.933  -6.496   7.362
   73   HG21  THR1906          HG21      THR1906  -3.780  -7.863   9.414
   74   HG22  THR1906          HG22      THR1906  -4.899  -7.367  10.688
   75   HG23  THR1906          HG23      THR1906  -3.383  -6.496  10.455
   76    H    ALA1907           H        ALA1907  -6.604  -3.240   8.122
   77    HA   ALA1907           HA       ALA1907  -4.460  -1.688   7.340
   78    HB1  ALA1907           HB1      ALA1907  -6.583  -1.468   6.214
   79    HB2  ALA1907           HB2      ALA1907  -7.313  -0.785   7.672
   80    HB3  ALA1907           HB3      ALA1907  -6.060   0.119   6.813
   81    H    ASP1908           H        ASP1908  -6.630  -1.122  10.108
   82    HA   ASP1908           HA       ASP1908  -5.440   1.159  11.142
   83    HB2  ASP1908           HB2      ASP1908  -7.473   0.262  12.117
   84    HB3  ASP1908           HB3      ASP1908  -6.620  -1.179  12.658
   85    H    ALA1909           H        ALA1909  -4.450  -2.218  11.556
   86    HA   ALA1909           HA       ALA1909  -2.418  -1.777  13.457
   87    HB1  ALA1909           HB1      ALA1909  -2.583  -3.957  11.380
   88    HB2  ALA1909           HB2      ALA1909  -1.583  -3.976  12.833
   89    HB3  ALA1909           HB3      ALA1909  -3.342  -3.993  12.972
   90    H    MET1910           H        MET1910  -1.927  -2.560  10.008
   91    HA   MET1910           HA       MET1910   0.631  -1.763   9.638
   92    HB2  MET1910           HB2      MET1910  -0.400  -2.754   7.822
   93    HB3  MET1910           HB3      MET1910  -1.772  -1.661   7.867
   94    HG2  MET1910           HG2      MET1910  -0.406   0.137   6.974
   95    HG3  MET1910           HG3      MET1910   1.019  -0.906   7.013
   96    HE1  MET1910           HE1      MET1910  -0.293  -3.657   6.209
   97    HE2  MET1910           HE2      MET1910  -0.031  -3.682   4.465
   98    HE3  MET1910           HE3      MET1910   1.250  -3.114   5.540
   99    H    ASN1911           H        ASN1911  -2.142   0.430   9.811
  100    HA   ASN1911           HA       ASN1911  -0.833   2.714   8.753
  101    HB2  ASN1911           HB2      ASN1911  -3.305   2.416   9.059
  102    HB3  ASN1911           HB3      ASN1911  -3.068   2.647  10.782
  103   HD21  ASN1911          HD21      ASN1911  -2.970   4.125   7.671
  104   HD22  ASN1911          HD22      ASN1911  -2.980   5.752   8.219
  105    H    ARG1912           H        ARG1912  -0.992   1.446  12.057
  106    HA   ARG1912           HA       ARG1912   0.015   3.753  13.306
  107    HB2  ARG1912           HB2      ARG1912   0.201   0.864  14.137
  108    HB3  ARG1912           HB3      ARG1912   0.419   2.253  15.164
  109    HG2  ARG1912           HG2      ARG1912  -2.093   1.260  13.896
  110    HG3  ARG1912           HG3      ARG1912  -1.758   1.514  15.609
  111    HD2  ARG1912           HD2      ARG1912  -1.841   3.872  15.364
  112    HD3  ARG1912           HD3      ARG1912  -1.813   3.757  13.600
  113    HE   ARG1912           HE       ARG1912  -4.071   2.436  14.211
  114   HH11  ARG1912          HH12      ARG1912  -2.867   5.547  15.312
  115   HH12  ARG1912          HH11      ARG1912  -4.459   6.245  15.435
  116   HH21  ARG1912          HH22      ARG1912  -6.132   3.341  14.362
  117   HH22  ARG1912          HH21      ARG1912  -6.312   5.003  14.870
  118    H    GLU1913           H        GLU1913   1.557   0.714  12.386
  119    HA   GLU1913           HA       GLU1913   4.176   1.609  12.928
  120    HB2  GLU1913           HB2      GLU1913   4.840  -0.382  11.547
  121    HB3  GLU1913           HB3      GLU1913   3.771  -0.733  12.900
  122    HG2  GLU1913           HG2      GLU1913   1.863  -0.744  11.347
  123    HG3  GLU1913           HG3      GLU1913   2.983  -0.490  10.000
  124    H    VAL1914           H        VAL1914   2.098   1.803  10.102
  125    HA   VAL1914           HA       VAL1914   4.099   2.235   8.166
  126    HB   VAL1914           HB       VAL1914   1.544   1.735   7.849
  127   HG11  VAL1914          HG11      VAL1914   0.660   3.735   8.884
  128   HG12  VAL1914          HG12      VAL1914   1.556   4.741   7.739
  129   HG13  VAL1914          HG13      VAL1914   0.247   3.706   7.166
  130   HG21  VAL1914          HG21      VAL1914   1.615   2.607   5.578
  131   HG22  VAL1914          HG22      VAL1914   3.026   3.578   5.999
  132   HG23  VAL1914          HG23      VAL1914   3.126   1.818   6.030
  133    H    SER1915           H        SER1915   2.417   4.426  10.322
  134    HA   SER1915           HA       SER1915   3.209   6.789   8.972
  135    HB2  SER1915           HB2      SER1915   1.269   6.534  10.517
  136    HB3  SER1915           HB3      SER1915   2.404   6.507  11.868
  137    HG   SER1915           HG       SER1915   1.356   8.618  11.030
  138    H    SER1916           H        SER1916   4.561   4.799  11.522
  139    HA   SER1916           HA       SER1916   6.875   6.506  11.832
  140    HB2  SER1916           HB2      SER1916   6.038   5.064  13.681
  141    HB3  SER1916           HB3      SER1916   6.453   3.640  12.727
  142    HG   SER1916           HG       SER1916   8.025   4.497  14.374
  143    H    LEU1917           H        LEU1917   5.943   3.681  10.018
  144    HA   LEU1917           HA       LEU1917   8.404   2.741   9.138
  145    HB2  LEU1917           HB2      LEU1917   6.055   1.713   8.966
  146    HB3  LEU1917           HB3      LEU1917   5.869   2.680   7.522
  147    HG   LEU1917           HG       LEU1917   6.514   0.220   7.250
  148   HD11  LEU1917          HD11      LEU1917   8.050   2.424   5.918
  149   HD12  LEU1917          HD12      LEU1917   8.100   0.740   5.396
  150   HD13  LEU1917          HD13      LEU1917   6.580   1.624   5.362
  151   HD21  LEU1917          HD21      LEU1917   9.178   1.345   8.037
  152   HD22  LEU1917          HD22      LEU1917   8.235   0.154   8.935
  153   HD23  LEU1917          HD23      LEU1917   8.890  -0.254   7.349
  154    H    LYS1918           H        LYS1918   6.099   4.849   7.403
  155    HA   LYS1918           HA       LYS1918   7.872   5.278   5.256
  156    HB2  LYS1918           HB2      LYS1918   6.140   6.290   4.280
  157    HB3  LYS1918           HB3      LYS1918   5.216   5.785   5.682
  158    HG2  LYS1918           HG2      LYS1918   6.643   8.407   5.591
  159    HG3  LYS1918           HG3      LYS1918   5.027   8.200   4.915
  160    HD2  LYS1918           HD2      LYS1918   4.081   7.679   7.014
  161    HD3  LYS1918           HD3      LYS1918   5.664   7.387   7.735
  162    HE2  LYS1918           HE2      LYS1918   6.208   9.731   7.582
  163    HE3  LYS1918           HE3      LYS1918   4.697  10.050   6.732
  164    HZ1  LYS1918           HZ1      LYS1918   3.453   9.683   8.650
  165    HZ2  LYS1918           HZ2      LYS1918   4.792  10.564   9.211
  166    HZ3  LYS1918           HZ3      LYS1918   4.721   8.889   9.450
  167    H    ASN1919           H        ASN1919   7.751   6.493   8.385
  168    HA   ASN1919           HA       ASN1919   9.091   9.001   7.926
  169    HB2  ASN1919           HB2      ASN1919   7.567   8.798   9.802
  170    HB3  ASN1919           HB3      ASN1919   8.474   7.434  10.441
  171   HD21  ASN1919          HD21      ASN1919   9.807  10.454   9.155
  172   HD22  ASN1919          HD22      ASN1919  10.491  10.972  10.658
  173    H    LYS1920           H        LYS1920  10.037   5.678   8.552
  174    HA   LYS1920           HA       LYS1920  12.706   6.540   9.283
  175    HB2  LYS1920           HB2      LYS1920  13.042   3.956   9.503
  176    HB3  LYS1920           HB3      LYS1920  12.257   4.871  10.771
  177    HG2  LYS1920           HG2      LYS1920  10.075   4.112   9.971
  178    HG3  LYS1920           HG3      LYS1920  10.852   3.165   8.687
  179    HD2  LYS1920           HD2      LYS1920  12.044   1.857  10.358
  180    HD3  LYS1920           HD3      LYS1920  11.360   2.837  11.654
  181    HE2  LYS1920           HE2      LYS1920   9.144   2.042  11.132
  182    HE3  LYS1920           HE3      LYS1920   9.756   1.153   9.739
  183    HZ1  LYS1920           HZ1      LYS1920  11.124  -0.165  11.299
  184    HZ2  LYS1920           HZ2      LYS1920   9.459  -0.358  11.539
  185    HZ3  LYS1920           HZ3      LYS1920  10.358   0.618  12.598
  186    H    LEU1921           H        LEU1921  10.890   5.490   6.637
  187    HA   LEU1921           HA       LEU1921  13.239   4.693   5.148
  188    HB2  LEU1921           HB2      LEU1921  10.549   5.271   3.943
  189    HB3  LEU1921           HB3      LEU1921  11.815   4.237   3.324
  190    HG   LEU1921           HG       LEU1921   9.783   3.671   5.444
  191   HD11  LEU1921          HD11      LEU1921  10.823   2.084   3.113
  192   HD12  LEU1921          HD12      LEU1921   9.466   1.655   4.162
  193   HD13  LEU1921          HD13      LEU1921   9.362   3.082   3.113
  194   HD21  LEU1921          HD21      LEU1921  10.973   1.657   6.104
  195   HD22  LEU1921          HD22      LEU1921  12.345   2.121   5.096
  196   HD23  LEU1921          HD23      LEU1921  11.911   3.098   6.500
  197    H    ARG1922           H        ARG1922  11.308   7.490   5.728
  198    HA   ARG1922           HA       ARG1922  12.761   8.969   3.664
  199    HB2  ARG1922           HB2      ARG1922  10.185   9.002   4.007
  200    HB3  ARG1922           HB3      ARG1922  10.538  10.096   5.331
  201    HG2  ARG1922           HG2      ARG1922   9.954  10.946   2.916
  202    HG3  ARG1922           HG3      ARG1922  11.093  11.812   3.950
  203    HD2  ARG1922           HD2      ARG1922  12.000   9.732   1.973
  204    HD3  ARG1922           HD3      ARG1922  11.729  11.408   1.491
  205    HE   ARG1922           HE       ARG1922  13.488  10.963   3.769
  206   HH11  ARG1922          HH12      ARG1922  13.230  11.674   0.341
  207   HH12  ARG1922          HH11      ARG1922  14.847  12.296   0.242
  208   HH21  ARG1922          HH22      ARG1922  15.609  11.747   3.606
  209   HH22  ARG1922          HH21      ARG1922  16.210  12.321   2.081
  210    H    ARG1923           H        ARG1923  13.302   8.104   6.706
  211    HA   ARG1923           HA       ARG1923  13.787  10.413   8.179
  212    HB2  ARG1923           HB2      ARG1923  13.819   8.226   9.215
  213    HB3  ARG1923           HB3      ARG1923  15.220   7.755   8.263
  214    HG2  ARG1923           HG2      ARG1923  15.957   8.252  10.471
  215    HG3  ARG1923           HG3      ARG1923  16.520   9.543   9.411
  216    HD2  ARG1923           HD2      ARG1923  14.026   9.710  11.096
  217    HD3  ARG1923           HD3      ARG1923  15.600  10.302  11.617
  218    HE   ARG1923           HE       ARG1923  15.322  11.635   9.343
  219   HH11  ARG1923          HH12      ARG1923  13.023  11.076  11.920
  220   HH12  ARG1923          HH11      ARG1923  12.141  12.550  11.632
  221   HH21  ARG1923          HH22      ARG1923  14.176  13.577   8.950
  222   HH22  ARG1923          HH21      ARG1923  12.792  13.970   9.929
  223    H    GLY1924           H        GLY1924  16.104   8.587   6.130
  224    HA2  GLY1924           HA2      GLY1924  17.406  10.254   4.686
  225    HA3  GLY1924           HA3      GLY1924  17.844  10.972   6.234
  226    H    ASP1925           H        ASP1925  17.536   7.778   6.774
  227    HA   ASP1925           HA       ASP1925  20.392   7.302   6.549
  228    HB2  ASP1925           HB2      ASP1925  18.132   5.919   7.950
  229    HB3  ASP1925           HB3      ASP1925  19.599   5.016   7.590
  230    H    LEU1926           H        LEU1926  17.353   5.705   5.530
  231    HA   LEU1926           HA       LEU1926  18.919   3.948   3.865
  232    HB2  LEU1926           HB2      LEU1926  16.926   2.724   3.414
  233    HB3  LEU1926           HB3      LEU1926  17.067   3.018   5.124
  234    HG   LEU1926           HG       LEU1926  15.253   4.798   4.888
  235   HD11  LEU1926          HD11      LEU1926  14.973   3.504   2.150
  236   HD12  LEU1926          HD12      LEU1926  13.850   4.655   2.876
  237   HD13  LEU1926          HD13      LEU1926  15.480   5.168   2.437
  238   HD21  LEU1926          HD21      LEU1926  13.522   2.975   4.473
  239   HD22  LEU1926          HD22      LEU1926  14.898   1.900   4.289
  240   HD23  LEU1926          HD23      LEU1926  14.663   2.763   5.803
  241    HA   PRO1927           HA       PRO1927  18.976   6.053   0.185
  242    HB2  PRO1927           HB2      PRO1927  18.746   4.150  -1.711
  243    HB3  PRO1927           HB3      PRO1927  20.132   4.229  -0.614
  244    HG2  PRO1927           HG2      PRO1927  17.679   2.513  -0.440
  245    HG3  PRO1927           HG3      PRO1927  19.379   2.049  -0.232
  246    HD2  PRO1927           HD2      PRO1927  17.750   2.522   1.867
  247    HD3  PRO1927           HD3      PRO1927  19.482   2.907   1.909
  248    H    PHE1928           H        PHE1928  16.257   3.733  -0.103
  249    HA   PHE1928           HA       PHE1928  15.351   5.085  -2.445
  250    HB2  PHE1928           HB2      PHE1928  14.293   3.160  -2.881
  251    HB3  PHE1928           HB3      PHE1928  15.138   2.531  -1.495
  252    HD1  PHE1928           HD2      PHE1928  11.991   4.423  -2.183
  253    HD2  PHE1928           HD1      PHE1928  13.980   1.356  -0.050
  254    HE1  PHE1928           HE2      PHE1928   9.882   3.824  -1.101
  255    HE2  PHE1928           HE1      PHE1928  11.866   0.737   1.037
  256    HZ   PHE1928           HZ       PHE1928   9.837   1.973   0.494
  257    H    VAL1929           H        VAL1929  13.686   6.383  -2.737
  258    HA   VAL1929           HA       VAL1929  11.883   7.146  -0.633
  259    HB   VAL1929           HB       VAL1929  12.664   9.550  -0.696
  260   HG11  VAL1929          HG11      VAL1929  14.349   9.225   0.978
  261   HG12  VAL1929          HG12      VAL1929  13.138   7.947   1.153
  262   HG13  VAL1929          HG13      VAL1929  14.683   7.597   0.373
  263   HG21  VAL1929          HG21      VAL1929  14.991   9.922  -1.396
  264   HG22  VAL1929          HG22      VAL1929  15.077   8.240  -1.938
  265   HG23  VAL1929          HG23      VAL1929  13.982   9.369  -2.735
  266    H    VAL1930           H        VAL1930  10.295   8.664  -1.393
  267    HA   VAL1930           HA       VAL1930   9.793   8.392  -4.201
  268    HB   VAL1930           HB       VAL1930   8.291  10.121  -2.229
  269   HG11  VAL1930          HG11      VAL1930   6.453   9.900  -3.833
  270   HG12  VAL1930          HG12      VAL1930   7.864  10.664  -4.565
  271   HG13  VAL1930          HG13      VAL1930   7.501   8.972  -4.905
  272   HG21  VAL1930          HG21      VAL1930   7.814   7.253  -3.018
  273   HG22  VAL1930          HG22      VAL1930   8.327   7.832  -1.434
  274   HG23  VAL1930          HG23      VAL1930   6.723   8.242  -2.047
  275    HA   PRO1931           HA       PRO1931  11.751  12.271  -5.361
  276    HB2  PRO1931           HB2      PRO1931  11.132  12.081  -7.983
  277    HB3  PRO1931           HB3      PRO1931  12.431  11.128  -7.253
  278    HG2  PRO1931           HG2      PRO1931   9.624  10.319  -7.905
  279    HG3  PRO1931           HG3      PRO1931  11.133   9.424  -8.161
  280    HD2  PRO1931           HD2      PRO1931   9.464   8.949  -6.066
  281    HD3  PRO1931           HD3      PRO1931  11.221   8.697  -5.971
  282    H    ARG1932           H        ARG1932  10.924  14.225  -6.611
  283    HA   ARG1932           HA       ARG1932   8.354  14.996  -5.750
  284    HB2  ARG1932           HB2      ARG1932  10.115  16.156  -7.917
  285    HB3  ARG1932           HB3      ARG1932   8.592  16.879  -7.422
  286    HG2  ARG1932           HG2      ARG1932  10.259  18.072  -6.281
  287    HG3  ARG1932           HG3      ARG1932   9.562  16.981  -5.082
  288    HD2  ARG1932           HD2      ARG1932  11.444  15.385  -5.661
  289    HD3  ARG1932           HD3      ARG1932  12.181  16.729  -6.530
  290    HE   ARG1932           HE       ARG1932  11.775  17.818  -4.122
  291   HH11  ARG1932          HH12      ARG1932  13.187  14.769  -5.116
  292   HH12  ARG1932          HH11      ARG1932  14.192  14.621  -3.702
  293   HH21  ARG1932          HH22      ARG1932  13.108  17.647  -2.264
  294   HH22  ARG1932          HH21      ARG1932  14.171  16.280  -2.100
  295    H    ARG1933           H        ARG1933   6.451  14.336  -6.453
  296    HA   ARG1933           HA       ARG1933   4.818  13.365  -7.707
  297    HB2  ARG1933           HB2      ARG1933   5.591  15.164  -9.370
  298    HB3  ARG1933           HB3      ARG1933   6.538  13.901 -10.139
  299    HG2  ARG1933           HG2      ARG1933   4.290  12.636 -10.270
  300    HG3  ARG1933           HG3      ARG1933   3.581  14.230 -10.002
  301    HD2  ARG1933           HD2      ARG1933   4.835  15.086 -11.940
  302    HD3  ARG1933           HD3      ARG1933   5.481  13.464 -12.217
  303    HE   ARG1933           HE       ARG1933   2.604  14.130 -12.375
  304   HH11  ARG1933          HH12      ARG1933   5.431  12.376 -13.525
  305   HH12  ARG1933          HH11      ARG1933   4.564  11.575 -14.799
  306   HH21  ARG1933          HH22      ARG1933   1.481  13.099 -14.073
  307   HH22  ARG1933          HH21      ARG1933   2.327  12.008 -15.135
  308    H    MET1934           H        MET1934   4.776  11.585  -9.730
  309    HA   MET1934           HA       MET1934   6.369   9.404  -8.697
  310    HB2  MET1934           HB2      MET1934   4.668   9.180 -11.155
  311    HB3  MET1934           HB3      MET1934   5.002   7.973  -9.925
  312    HG2  MET1934           HG2      MET1934   3.060  10.243  -9.860
  313    HG3  MET1934           HG3      MET1934   2.774   8.528  -9.598
  314    HE1  MET1934           HE1      MET1934   4.478   8.102  -6.027
  315    HE2  MET1934           HE2      MET1934   3.732   7.240  -7.374
  316    HE3  MET1934           HE3      MET1934   5.321   7.984  -7.572
  317    H    ALA1935           H        ALA1935   7.408  11.794 -10.170
  318    HA   ALA1935           HA       ALA1935   8.973  12.394 -11.662
  319    HB1  ALA1935           HB1      ALA1935   9.740   9.486 -11.525
  320    HB2  ALA1935           HB2      ALA1935  10.750  10.804 -12.120
  321    HB3  ALA1935           HB3      ALA1935  10.278  10.754 -10.420
  322    H    MET   1           H1       MET   1   3.225  -4.650 -19.769
  323    HA   MET   1           HA       MET   1   0.586  -3.333 -19.496
  324    HB2  MET   1           HB2      MET   1   2.271  -4.867 -17.498
  325    HB3  MET   1           HB3      MET   1   0.801  -3.986 -17.112
  326    HG2  MET   1           HG2      MET   1  -0.473  -5.497 -18.554
  327    HG3  MET   1           HG3      MET   1   1.009  -6.387 -18.912
  328    HE1  MET   1           HE1      MET   1  -0.863  -8.910 -16.605
  329    HE2  MET   1           HE2      MET   1  -1.568  -7.853 -17.830
  330    HE3  MET   1           HE3      MET   1  -0.038  -8.671 -18.143
  331    H    ALA   2           H        ALA   2   0.859  -1.989 -17.318
  332    HA   ALA   2           HA       ALA   2   2.988  -0.077 -17.711
  333    HB1  ALA   2           HB1      ALA   2   0.741   0.648 -17.026
  334    HB2  ALA   2           HB2      ALA   2   0.896  -0.290 -15.539
  335    HB3  ALA   2           HB3      ALA   2   1.953   1.094 -15.824
  336    H    CYS   3           H        CYS   3   4.276   0.561 -15.636
  337    HA   CYS   3           HA       CYS   3   5.687  -1.673 -14.635
  338    HB2  CYS   3           HB2      CYS   3   5.545   1.142 -13.525
  339    HB3  CYS   3           HB3      CYS   3   6.770  -0.061 -13.137
  340    HG   CYS   3           HG       CYS   3   7.844   1.908 -14.842
  341    HA   PRO   4           HA       PRO   4   2.143  -2.992 -12.285
  342    HB2  PRO   4           HB2      PRO   4   4.261  -4.760 -11.131
  343    HB3  PRO   4           HB3      PRO   4   2.663  -5.189 -11.764
  344    HG2  PRO   4           HG2      PRO   4   4.766  -5.694 -13.242
  345    HG3  PRO   4           HG3      PRO   4   3.354  -4.929 -13.998
  346    HD2  PRO   4           HD2      PRO   4   5.921  -3.674 -13.086
  347    HD3  PRO   4           HD3      PRO   4   5.017  -3.413 -14.595
  348    H    LEU   5           H        LEU   5   5.145  -3.209 -10.354
  349    HA   LEU   5           HA       LEU   5   3.781  -2.574  -7.943
  350    HB2  LEU   5           HB2      LEU   5   6.130  -3.773  -8.506
  351    HB3  LEU   5           HB3      LEU   5   6.714  -2.174  -8.096
  352    HG   LEU   5           HG       LEU   5   6.815  -3.638  -6.159
  353   HD11  LEU   5          HD11      LEU   5   4.662  -1.561  -5.893
  354   HD12  LEU   5          HD12      LEU   5   5.529  -2.317  -4.555
  355   HD13  LEU   5          HD13      LEU   5   6.400  -1.311  -5.714
  356   HD21  LEU   5          HD21      LEU   5   3.841  -3.946  -6.491
  357   HD22  LEU   5          HD22      LEU   5   5.056  -5.198  -6.758
  358   HD23  LEU   5          HD23      LEU   5   4.798  -4.548  -5.137
  359    H    GLU   6           H        GLU   6   5.550  -0.674 -10.319
  360    HA   GLU   6           HA       GLU   6   5.922   1.585  -8.677
  361    HB2  GLU   6           HB2      GLU   6   7.215   1.181 -10.758
  362    HB3  GLU   6           HB3      GLU   6   5.769   1.532 -11.692
  363    HG2  GLU   6           HG2      GLU   6   5.757   3.799 -10.980
  364    HG3  GLU   6           HG3      GLU   6   7.007   3.491  -9.779
  365    H    LYS   7           H        LYS   7   3.386   0.674 -10.962
  366    HA   LYS   7           HA       LYS   7   1.958   3.109 -10.753
  367    HB2  LYS   7           HB2      LYS   7   1.002   0.364 -11.580
  368    HB3  LYS   7           HB3      LYS   7   0.036   1.826 -11.700
  369    HG2  LYS   7           HG2      LYS   7   2.562   1.163 -13.187
  370    HG3  LYS   7           HG3      LYS   7   0.942   1.382 -13.845
  371    HD2  LYS   7           HD2      LYS   7   2.637   3.521 -12.553
  372    HD3  LYS   7           HD3      LYS   7   2.358   3.327 -14.284
  373    HE2  LYS   7           HE2      LYS   7   0.230   3.889 -12.223
  374    HE3  LYS   7           HE3      LYS   7   0.957   5.089 -13.288
  375    HZ1  LYS   7           HZ1      LYS   7  -1.142   4.368 -14.172
  376    HZ2  LYS   7           HZ2      LYS   7  -0.659   2.746 -14.122
  377    HZ3  LYS   7           HZ3      LYS   7   0.102   3.817 -15.188
  378    H    ALA   8           H        ALA   8   2.131   0.291  -8.742
  379    HA   ALA   8           HA       ALA   8  -0.265   0.451  -7.345
  380    HB1  ALA   8           HB1      ALA   8   1.344  -1.366  -7.046
  381    HB2  ALA   8           HB2      ALA   8   2.442  -0.260  -6.222
  382    HB3  ALA   8           HB3      ALA   8   0.881  -0.652  -5.502
  383    H    LEU   9           H        LEU   9   2.831   2.041  -6.486
  384    HA   LEU   9           HA       LEU   9   1.573   3.583  -4.421
  385    HB2  LEU   9           HB2      LEU   9   4.237   4.157  -5.731
  386    HB3  LEU   9           HB3      LEU   9   3.671   4.756  -4.187
  387    HG   LEU   9           HG       LEU   9   5.171   3.106  -3.577
  388   HD11  LEU   9          HD11      LEU   9   3.879   1.233  -2.695
  389   HD12  LEU   9          HD12      LEU   9   3.069   2.776  -2.426
  390   HD13  LEU   9          HD13      LEU   9   2.512   1.700  -3.707
  391   HD21  LEU   9          HD21      LEU   9   5.449   0.971  -4.621
  392   HD22  LEU   9          HD22      LEU   9   4.041   1.238  -5.647
  393   HD23  LEU   9          HD23      LEU   9   5.493   2.220  -5.868
  394    H    ASP  10           H        ASP  10   2.346   4.083  -7.787
  395    HA   ASP  10           HA       ASP  10   1.976   6.840  -8.006
  396    HB2  ASP  10           HB2      ASP  10   2.879   5.606  -9.855
  397    HB3  ASP  10           HB3      ASP  10   1.436   4.604  -9.965
  398    H    VAL  11           H        VAL  11  -0.395   4.224  -8.436
  399    HA   VAL  11           HA       VAL  11  -2.533   6.039  -8.958
  400    HB   VAL  11           HB       VAL  11  -3.979   4.128  -9.014
  401   HG11  VAL  11          HG11      VAL  11  -2.501   4.503 -10.916
  402   HG12  VAL  11          HG12      VAL  11  -1.286   3.456 -10.183
  403   HG13  VAL  11          HG13      VAL  11  -2.835   2.784 -10.695
  404   HG21  VAL  11          HG21      VAL  11  -3.207   1.876  -8.410
  405   HG22  VAL  11          HG22      VAL  11  -1.687   2.559  -7.828
  406   HG23  VAL  11          HG23      VAL  11  -3.202   2.962  -7.020
  407    H    MET  12           H        MET  12  -1.172   4.661  -6.105
  408    HA   MET  12           HA       MET  12  -3.307   4.826  -4.332
  409    HB2  MET  12           HB2      MET  12  -0.344   5.082  -4.037
  410    HB3  MET  12           HB3      MET  12  -1.380   5.438  -2.661
  411    HG2  MET  12           HG2      MET  12  -2.234   3.248  -2.615
  412    HG3  MET  12           HG3      MET  12  -1.546   2.868  -4.194
  413    HE1  MET  12           HE1      MET  12  -0.797   0.624  -2.819
  414    HE2  MET  12           HE2      MET  12   0.351   0.667  -1.475
  415    HE3  MET  12           HE3      MET  12  -1.284   1.297  -1.255
  416    H    VAL  13           H        VAL  13  -1.009   7.340  -5.343
  417    HA   VAL  13           HA       VAL  13  -2.539   9.325  -3.862
  418    HB   VAL  13           HB       VAL  13  -0.812  10.942  -4.694
  419   HG11  VAL  13          HG11      VAL  13  -0.646   9.902  -2.491
  420   HG12  VAL  13          HG12      VAL  13   0.211   8.531  -3.196
  421   HG13  VAL  13          HG13      VAL  13   0.953  10.133  -3.208
  422   HG21  VAL  13          HG21      VAL  13   1.250  10.027  -5.633
  423   HG22  VAL  13          HG22      VAL  13   0.498   8.434  -5.725
  424   HG23  VAL  13          HG23      VAL  13  -0.132   9.765  -6.701
  425    H    SER  14           H        SER  14  -2.099   8.240  -7.157
  426    HA   SER  14           HA       SER  14  -3.207  10.560  -8.395
  427    HB2  SER  14           HB2      SER  14  -2.925   7.739  -9.454
  428    HB3  SER  14           HB3      SER  14  -3.322   9.157 -10.424
  429    HG   SER  14           HG       SER  14  -0.902   8.469  -9.156
  430    H    THR  15           H        THR  15  -4.544   7.276  -7.989
  431    HA   THR  15           HA       THR  15  -7.179   7.929  -8.728
  432    HB   THR  15           HB       THR  15  -6.237   5.681  -6.927
  433    HG1  THR  15           HG1      THR  15  -6.588   4.694  -9.271
  434   HG21  THR  15          HG21      THR  15  -8.664   5.830  -8.712
  435   HG22  THR  15          HG22      THR  15  -8.693   6.045  -6.964
  436   HG23  THR  15          HG23      THR  15  -8.209   4.494  -7.653
  437    H    PHE  16           H        PHE  16  -5.411   8.162  -5.758
  438    HA   PHE  16           HA       PHE  16  -7.277   8.451  -3.787
  439    HB2  PHE  16           HB2      PHE  16  -4.879   8.564  -3.403
  440    HB3  PHE  16           HB3      PHE  16  -4.783  10.088  -4.269
  441    HD1  PHE  16           HD2      PHE  16  -6.519   8.574  -1.342
  442    HD2  PHE  16           HD1      PHE  16  -4.716  12.020  -3.058
  443    HE1  PHE  16           HE2      PHE  16  -6.805   9.777   0.784
  444    HE2  PHE  16           HE1      PHE  16  -4.995  13.229  -0.937
  445    HZ   PHE  16           HZ       PHE  16  -6.041  12.106   0.988
  446    H    HIS  17           H        HIS  17  -5.911  11.307  -5.449
  447    HA   HIS  17           HA       HIS  17  -8.048  12.968  -4.548
  448    HB2  HIS  17           HB2      HIS  17  -6.991  14.759  -5.788
  449    HB3  HIS  17           HB3      HIS  17  -5.756  13.832  -4.947
  450    HD1  HIS  17           HD1      HIS  17  -7.035  14.622  -8.388
  451    HD2  HIS  17           HD2      HIS  17  -3.897  12.549  -6.596
  452    HE1  HIS  17           HE1      HIS  17  -5.407  14.125 -10.233
  453    HE2  HIS  17           HE2      HIS  17  -3.427  13.090  -9.079
  454    H    LYS  18           H        LYS  18  -7.705  10.862  -7.145
  455    HA   LYS  18           HA       LYS  18  -9.173  12.166  -9.161
  456    HB2  LYS  18           HB2      LYS  18  -7.717  10.277  -9.614
  457    HB3  LYS  18           HB3      LYS  18  -8.717   9.230  -8.622
  458    HG2  LYS  18           HG2      LYS  18 -10.564   9.511 -10.216
  459    HG3  LYS  18           HG3      LYS  18  -9.515  10.515 -11.224
  460    HD2  LYS  18           HD2      LYS  18  -7.997   8.675 -11.563
  461    HD3  LYS  18           HD3      LYS  18  -8.900   7.671 -10.426
  462    HE2  LYS  18           HE2      LYS  18 -10.861   7.818 -11.939
  463    HE3  LYS  18           HE3      LYS  18  -9.858   8.697 -13.095
  464    HZ1  LYS  18           HZ1      LYS  18  -9.962   6.356 -13.653
  465    HZ2  LYS  18           HZ2      LYS  18  -9.379   5.928 -12.116
  466    HZ3  LYS  18           HZ3      LYS  18  -8.385   6.776 -13.197
  467    H    TYR  19           H        TYR  19 -10.176  10.011  -6.518
  468    HA   TYR  19           HA       TYR  19 -12.962  10.334  -7.416
  469    HB2  TYR  19           HB2      TYR  19 -11.688   8.222  -5.678
  470    HB3  TYR  19           HB3      TYR  19 -13.429   8.378  -5.890
  471    HD1  TYR  19           HD2      TYR  19 -10.260   7.710  -7.669
  472    HD2  TYR  19           HD1      TYR  19 -14.502   7.519  -7.831
  473    HE1  TYR  19           HE2      TYR  19 -10.117   6.363  -9.713
  474    HE2  TYR  19           HE1      TYR  19 -14.367   6.166  -9.881
  475    HH   TYR  19           HH       TYR  19 -11.336   4.885 -11.034
  476    H    SER  20           H        SER  20 -10.811  11.187  -4.860
  477    HA   SER  20           HA       SER  20 -12.917  11.698  -2.954
  478    HB2  SER  20           HB2      SER  20 -11.057  12.769  -1.618
  479    HB3  SER  20           HB3      SER  20 -10.755  11.092  -2.083
  480    HG   SER  20           HG       SER  20  -9.171  11.697  -3.330
  481    H    GLY  21           H        GLY  21 -11.097  13.489  -5.348
  482    HA2  GLY  21           HA2      GLY  21 -12.140  16.051  -4.539
  483    HA3  GLY  21           HA3      GLY  21 -11.196  15.715  -5.983
  484    H    LYS  22           H        LYS  22 -14.092  13.956  -5.154
  485    HA   LYS  22           HA       LYS  22 -15.392  15.102  -7.525
  486    HB2  LYS  22           HB2      LYS  22 -15.675  12.446  -6.133
  487    HB3  LYS  22           HB3      LYS  22 -16.881  13.024  -7.278
  488    HG2  LYS  22           HG2      LYS  22 -15.251  13.073  -9.042
  489    HG3  LYS  22           HG3      LYS  22 -13.960  12.673  -7.906
  490    HD2  LYS  22           HD2      LYS  22 -14.940  10.506  -7.490
  491    HD3  LYS  22           HD3      LYS  22 -16.330  10.908  -8.500
  492    HE2  LYS  22           HE2      LYS  22 -13.492  10.802  -9.503
  493    HE3  LYS  22           HE3      LYS  22 -14.622   9.452  -9.602
  494    HZ1  LYS  22           HZ1      LYS  22 -14.649  10.618 -11.665
  495    HZ2  LYS  22           HZ2      LYS  22 -14.894  12.110 -10.898
  496    HZ3  LYS  22           HZ3      LYS  22 -16.118  10.935 -10.876
  497    H    GLU  23           H        GLU  23 -16.539  13.595  -4.501
  498    HA   GLU  23           HA       GLU  23 -18.627  15.655  -4.376
  499    HB2  GLU  23           HB2      GLU  23 -18.352  13.008  -2.943
  500    HB3  GLU  23           HB3      GLU  23 -19.673  14.141  -2.695
  501    HG2  GLU  23           HG2      GLU  23 -19.004  12.798  -5.303
  502    HG3  GLU  23           HG3      GLU  23 -20.278  12.299  -4.191
  503    H    GLY  24           H        GLY  24 -15.928  14.295  -2.567
  504    HA2  GLY  24           HA2      GLY  24 -16.426  16.266  -0.425
  505    HA3  GLY  24           HA3      GLY  24 -15.499  14.785  -0.240
  506    H    ASP  25           H        ASP  25 -13.647  15.710   0.506
  507    HA   ASP  25           HA       ASP  25 -12.353  17.835  -1.006
  508    HB2  ASP  25           HB2      ASP  25 -12.327  17.874   1.469
  509    HB3  ASP  25           HB3      ASP  25 -11.451  16.347   1.475
  510    H    LYS  26           H        LYS  26 -10.367  17.594  -2.085
  511    HA   LYS  26           HA       LYS  26 -10.069  15.127  -3.426
  512    HB2  LYS  26           HB2      LYS  26  -8.007  16.195  -4.428
  513    HB3  LYS  26           HB3      LYS  26  -9.523  17.036  -4.678
  514    HG2  LYS  26           HG2      LYS  26  -7.806  18.637  -4.226
  515    HG3  LYS  26           HG3      LYS  26  -8.915  18.608  -2.863
  516    HD2  LYS  26           HD2      LYS  26  -6.710  18.732  -1.982
  517    HD3  LYS  26           HD3      LYS  26  -7.287  17.091  -1.698
  518    HE2  LYS  26           HE2      LYS  26  -4.969  17.105  -2.463
  519    HE3  LYS  26           HE3      LYS  26  -6.019  16.298  -3.622
  520    HZ1  LYS  26           HZ1      LYS  26  -5.955  18.180  -5.044
  521    HZ2  LYS  26           HZ2      LYS  26  -4.350  17.841  -4.607
  522    HZ3  LYS  26           HZ3      LYS  26  -5.176  19.133  -3.875
  523    H    PHE  27           H        PHE  27  -8.984  15.960  -0.399
  524    HA   PHE  27           HA       PHE  27  -6.909  13.899  -0.506
  525    HB2  PHE  27           HB2      PHE  27  -6.465  16.423   0.121
  526    HB3  PHE  27           HB3      PHE  27  -7.107  15.925   1.682
  527    HD1  PHE  27           HD2      PHE  27  -6.006  14.084   2.905
  528    HD2  PHE  27           HD1      PHE  27  -4.329  15.898  -0.542
  529    HE1  PHE  27           HE2      PHE  27  -3.770  13.233   3.553
  530    HE2  PHE  27           HE1      PHE  27  -2.094  15.048   0.075
  531    HZ   PHE  27           HZ       PHE  27  -1.819  13.716   2.129
  532    H    LYS  28           H        LYS  28 -10.015  14.075   0.117
  533    HA   LYS  28           HA       LYS  28  -9.813  12.313   2.448
  534    HB2  LYS  28           HB2      LYS  28 -10.380  14.717   3.125
  535    HB3  LYS  28           HB3      LYS  28 -11.905  14.493   2.279
  536    HG2  LYS  28           HG2      LYS  28 -12.355  14.084   4.547
  537    HG3  LYS  28           HG3      LYS  28 -12.287  12.493   3.782
  538    HD2  LYS  28           HD2      LYS  28 -11.060  12.343   5.818
  539    HD3  LYS  28           HD3      LYS  28  -9.891  12.363   4.490
  540    HE2  LYS  28           HE2      LYS  28  -9.523  14.762   4.865
  541    HE3  LYS  28           HE3      LYS  28 -10.676  14.730   6.196
  542    HZ1  LYS  28           HZ1      LYS  28  -9.188  13.060   7.274
  543    HZ2  LYS  28           HZ2      LYS  28  -8.517  14.607   7.119
  544    HZ3  LYS  28           HZ3      LYS  28  -8.039  13.375   6.061
  545    H    LEU  29           H        LEU  29 -10.705  10.488   1.913
  546    HA   LEU  29           HA       LEU  29 -12.998  10.540   0.065
  547    HB2  LEU  29           HB2      LEU  29 -11.183   8.287   0.891
  548    HB3  LEU  29           HB3      LEU  29 -12.679   8.020   0.022
  549    HG   LEU  29           HG       LEU  29 -11.625   9.742  -1.674
  550   HD11  LEU  29          HD11      LEU  29  -9.183   9.405  -1.842
  551   HD12  LEU  29          HD12      LEU  29  -9.667  10.287  -0.392
  552   HD13  LEU  29          HD13      LEU  29  -9.221   8.584  -0.282
  553   HD21  LEU  29          HD21      LEU  29 -10.710   7.861  -2.930
  554   HD22  LEU  29          HD22      LEU  29 -10.762   6.863  -1.477
  555   HD23  LEU  29          HD23      LEU  29 -12.262   7.453  -2.196
  556    H    ASN  30           H        ASN  30 -14.845  10.814   1.127
  557    HA   ASN  30           HA       ASN  30 -15.407   9.358   3.565
  558    HB2  ASN  30           HB2      ASN  30 -17.540  10.423   3.552
  559    HB3  ASN  30           HB3      ASN  30 -16.400  11.640   2.992
  560   HD21  ASN  30          HD21      ASN  30 -16.438  12.277   0.830
  561   HD22  ASN  30          HD22      ASN  30 -17.794  11.934  -0.196
  562    H    LYS  31           H        LYS  31 -17.864   8.280   3.282
  563    HA   LYS  31           HA       LYS  31 -17.471   5.808   2.163
  564    HB2  LYS  31           HB2      LYS  31 -20.144   7.207   2.316
  565    HB3  LYS  31           HB3      LYS  31 -19.883   5.473   2.211
  566    HG2  LYS  31           HG2      LYS  31 -18.628   5.675   4.406
  567    HG3  LYS  31           HG3      LYS  31 -19.292   7.309   4.509
  568    HD2  LYS  31           HD2      LYS  31 -20.847   4.728   4.341
  569    HD3  LYS  31           HD3      LYS  31 -20.705   5.789   5.743
  570    HE2  LYS  31           HE2      LYS  31 -21.955   6.564   3.110
  571    HE3  LYS  31           HE3      LYS  31 -22.851   6.035   4.533
  572    HZ1  LYS  31           HZ1      LYS  31 -22.824   8.431   4.378
  573    HZ2  LYS  31           HZ2      LYS  31 -21.129   8.452   4.350
  574    HZ3  LYS  31           HZ3      LYS  31 -21.948   7.933   5.744
  575    H    SER  32           H        SER  32 -19.015   8.588   0.596
  576    HA   SER  32           HA       SER  32 -19.838   7.308  -1.756
  577    HB2  SER  32           HB2      SER  32 -20.808   9.404  -1.299
  578    HB3  SER  32           HB3      SER  32 -19.247  10.174  -1.035
  579    HG   SER  32           HG       SER  32 -18.933  10.356  -3.152
  580    H    GLU  33           H        GLU  33 -16.729   8.795  -0.933
  581    HA   GLU  33           HA       GLU  33 -15.883   8.924  -3.685
  582    HB2  GLU  33           HB2      GLU  33 -14.124   9.207  -1.242
  583    HB3  GLU  33           HB3      GLU  33 -13.868   9.887  -2.847
  584    HG2  GLU  33           HG2      GLU  33 -15.930  10.723  -0.821
  585    HG3  GLU  33           HG3      GLU  33 -14.528  11.640  -1.363
  586    H    LEU  34           H        LEU  34 -15.082   6.981  -0.837
  587    HA   LEU  34           HA       LEU  34 -13.277   5.240  -2.133
  588    HB2  LEU  34           HB2      LEU  34 -14.956   5.048   0.338
  589    HB3  LEU  34           HB3      LEU  34 -14.086   3.649  -0.250
  590    HG   LEU  34           HG       LEU  34 -12.722   6.252   0.369
  591   HD11  LEU  34          HD11      LEU  34 -12.071   5.177   2.483
  592   HD12  LEU  34          HD12      LEU  34 -13.812   5.451   2.370
  593   HD13  LEU  34          HD13      LEU  34 -13.158   3.834   2.115
  594   HD21  LEU  34          HD21      LEU  34 -10.735   4.859   0.407
  595   HD22  LEU  34          HD22      LEU  34 -11.710   3.424   0.083
  596   HD23  LEU  34          HD23      LEU  34 -11.569   4.689  -1.138
  597    H    LYS  35           H        LYS  35 -16.772   5.208  -1.695
  598    HA   LYS  35           HA       LYS  35 -17.466   2.755  -2.644
  599    HB2  LYS  35           HB2      LYS  35 -18.995   4.483  -1.769
  600    HB3  LYS  35           HB3      LYS  35 -18.786   5.401  -3.251
  601    HG2  LYS  35           HG2      LYS  35 -19.911   3.766  -4.525
  602    HG3  LYS  35           HG3      LYS  35 -19.894   2.616  -3.181
  603    HD2  LYS  35           HD2      LYS  35 -21.237   4.293  -1.873
  604    HD3  LYS  35           HD3      LYS  35 -21.419   5.203  -3.377
  605    HE2  LYS  35           HE2      LYS  35 -22.511   3.339  -4.415
  606    HE3  LYS  35           HE3      LYS  35 -22.196   2.344  -2.991
  607    HZ1  LYS  35           HZ1      LYS  35 -23.598   3.849  -1.697
  608    HZ2  LYS  35           HZ2      LYS  35 -24.467   3.144  -2.973
  609    HZ3  LYS  35           HZ3      LYS  35 -23.934   4.752  -3.098
  610    H    GLU  36           H        GLU  36 -17.244   5.692  -4.674
  611    HA   GLU  36           HA       GLU  36 -17.510   4.263  -7.084
  612    HB2  GLU  36           HB2      GLU  36 -17.812   6.785  -6.662
  613    HB3  GLU  36           HB3      GLU  36 -16.067   6.891  -6.870
  614    HG2  GLU  36           HG2      GLU  36 -16.219   5.996  -9.078
  615    HG3  GLU  36           HG3      GLU  36 -17.947   5.709  -8.894
  616    H    LEU  37           H        LEU  37 -14.712   5.303  -5.231
  617    HA   LEU  37           HA       LEU  37 -12.585   4.677  -6.850
  618    HB2  LEU  37           HB2      LEU  37 -12.628   5.550  -4.448
  619    HB3  LEU  37           HB3      LEU  37 -12.734   3.869  -3.958
  620    HG   LEU  37           HG       LEU  37 -10.568   3.734  -5.544
  621   HD11  LEU  37          HD11      LEU  37 -10.622   6.115  -6.058
  622   HD12  LEU  37          HD12      LEU  37 -10.514   6.493  -4.338
  623   HD13  LEU  37          HD13      LEU  37  -9.170   5.689  -5.150
  624   HD21  LEU  37          HD21      LEU  37  -9.241   3.826  -3.500
  625   HD22  LEU  37          HD22      LEU  37 -10.587   4.588  -2.653
  626   HD23  LEU  37          HD23      LEU  37 -10.741   2.936  -3.246
  627    H    LEU  38           H        LEU  38 -14.102   2.438  -4.548
  628    HA   LEU  38           HA       LEU  38 -12.655   0.211  -5.540
  629    HB2  LEU  38           HB2      LEU  38 -14.953   0.509  -3.644
  630    HB3  LEU  38           HB3      LEU  38 -14.413  -1.079  -4.156
  631    HG   LEU  38           HG       LEU  38 -12.079   0.215  -3.355
  632   HD11  LEU  38          HD11      LEU  38 -14.310   0.785  -1.418
  633   HD12  LEU  38          HD12      LEU  38 -12.588   0.978  -1.087
  634   HD13  LEU  38          HD13      LEU  38 -13.368   1.980  -2.311
  635   HD21  LEU  38          HD21      LEU  38 -12.140  -1.387  -1.505
  636   HD22  LEU  38          HD22      LEU  38 -13.841  -1.710  -1.844
  637   HD23  LEU  38          HD23      LEU  38 -12.609  -2.134  -3.032
  638    H    THR  39           H        THR  39 -15.875   1.471  -6.230
  639    HA   THR  39           HA       THR  39 -16.855  -0.865  -7.489
  640    HB   THR  39           HB       THR  39 -18.521   0.581  -8.611
  641    HG1  THR  39           HG1      THR  39 -16.711   2.536  -7.892
  642   HG21  THR  39          HG21      THR  39 -18.921  -0.198  -6.323
  643   HG22  THR  39          HG22      THR  39 -19.628   1.394  -6.600
  644   HG23  THR  39          HG23      THR  39 -18.120   1.244  -5.697
  645    H    ARG  40           H        ARG  40 -14.845   1.738  -8.590
  646    HA   ARG  40           HA       ARG  40 -15.093   0.933 -11.370
  647    HB2  ARG  40           HB2      ARG  40 -13.659   3.212 -10.015
  648    HB3  ARG  40           HB3      ARG  40 -13.583   2.913 -11.746
  649    HG2  ARG  40           HG2      ARG  40 -16.121   3.408 -10.201
  650    HG3  ARG  40           HG3      ARG  40 -15.242   4.632 -11.122
  651    HD2  ARG  40           HD2      ARG  40 -16.323   2.072 -12.282
  652    HD3  ARG  40           HD3      ARG  40 -17.163   3.625 -12.346
  653    HE   ARG  40           HE       ARG  40 -14.989   4.389 -13.504
  654   HH11  ARG  40          HH12      ARG  40 -16.391   1.190 -13.843
  655   HH12  ARG  40          HH11      ARG  40 -15.789   0.968 -15.459
  656   HH21  ARG  40          HH22      ARG  40 -14.198   4.084 -15.610
  657   HH22  ARG  40          HH21      ARG  40 -14.539   2.612 -16.460
  658    H    GLU  41           H        GLU  41 -12.406   1.473  -9.075
  659    HA   GLU  41           HA       GLU  41 -10.722  -0.039 -10.920
  660    HB2  GLU  41           HB2      GLU  41 -10.189   2.175  -9.014
  661    HB3  GLU  41           HB3      GLU  41  -8.880   1.063  -9.401
  662    HG2  GLU  41           HG2      GLU  41  -8.939   1.599 -11.669
  663    HG3  GLU  41           HG3      GLU  41 -10.509   2.379 -11.543
  664    H    LEU  42           H        LEU  42 -12.278  -0.569  -7.987
  665    HA   LEU  42           HA       LEU  42 -10.452  -2.844  -7.531
  666    HB2  LEU  42           HB2      LEU  42 -11.961  -1.325  -5.398
  667    HB3  LEU  42           HB3      LEU  42 -10.998  -2.763  -5.131
  668    HG   LEU  42           HG       LEU  42  -9.054  -1.305  -6.100
  669   HD11  LEU  42          HD11      LEU  42 -10.370   0.604  -6.783
  670   HD12  LEU  42          HD12      LEU  42 -11.006   0.810  -5.148
  671   HD13  LEU  42          HD13      LEU  42  -9.281   1.072  -5.468
  672   HD21  LEU  42          HD21      LEU  42 -10.191  -0.893  -3.340
  673   HD22  LEU  42          HD22      LEU  42  -9.155  -2.226  -3.849
  674   HD23  LEU  42          HD23      LEU  42  -8.528  -0.577  -3.830
  675    HA   PRO  43           HA       PRO  43 -15.152  -3.658  -7.910
  676    HB2  PRO  43           HB2      PRO  43 -15.355  -4.817 -10.349
  677    HB3  PRO  43           HB3      PRO  43 -15.419  -3.068 -10.110
  678    HG2  PRO  43           HG2      PRO  43 -13.168  -4.772 -11.062
  679    HG3  PRO  43           HG3      PRO  43 -13.653  -3.153 -11.588
  680    HD2  PRO  43           HD2      PRO  43 -11.571  -3.669  -9.869
  681    HD3  PRO  43           HD3      PRO  43 -12.453  -2.132  -9.940
  682    H    SER  44           H        SER  44 -12.392  -5.643  -8.625
  683    HA   SER  44           HA       SER  44 -13.750  -8.146  -8.357
  684    HB2  SER  44           HB2      SER  44 -11.373  -9.033  -8.195
  685    HB3  SER  44           HB3      SER  44 -11.753  -8.138  -9.666
  686    HG   SER  44           HG       SER  44 -10.410  -6.593  -9.099
  687    H    PHE  45           H        PHE  45 -12.423  -5.812  -6.227
  688    HA   PHE  45           HA       PHE  45 -12.159  -7.683  -4.002
  689    HB2  PHE  45           HB2      PHE  45 -11.609  -4.708  -4.070
  690    HB3  PHE  45           HB3      PHE  45 -11.124  -5.840  -2.810
  691    HD1  PHE  45           HD2      PHE  45  -9.521  -7.721  -3.480
  692    HD2  PHE  45           HD1      PHE  45 -10.203  -4.259  -5.854
  693    HE1  PHE  45           HE2      PHE  45  -7.404  -8.121  -4.667
  694    HE2  PHE  45           HE1      PHE  45  -8.090  -4.652  -7.047
  695    HZ   PHE  45           HZ       PHE  45  -6.686  -6.586  -6.453
  696    H    LEU  46           H        LEU  46 -14.668  -6.356  -5.376
  697    HA   LEU  46           HA       LEU  46 -15.997  -5.653  -2.852
  698    HB2  LEU  46           HB2      LEU  46 -16.799  -5.009  -5.687
  699    HB3  LEU  46           HB3      LEU  46 -17.732  -4.590  -4.253
  700    HG   LEU  46           HG       LEU  46 -14.994  -3.538  -4.979
  701   HD11  LEU  46          HD11      LEU  46 -16.797  -2.588  -6.303
  702   HD12  LEU  46          HD12      LEU  46 -17.698  -2.219  -4.833
  703   HD13  LEU  46          HD13      LEU  46 -16.170  -1.401  -5.157
  704   HD21  LEU  46          HD21      LEU  46 -16.738  -2.992  -2.578
  705   HD22  LEU  46          HD22      LEU  46 -15.183  -3.826  -2.575
  706   HD23  LEU  46          HD23      LEU  46 -15.263  -2.113  -2.993
  707    H    GLY  47           H        GLY  47 -16.234  -7.554  -5.780
  708    HA2  GLY  47           HA2      GLY  47 -16.729  -9.863  -5.664
  709    HA3  GLY  47           HA3      GLY  47 -17.646  -9.563  -4.199
  710    H    LYS  48           H        LYS  48 -19.257  -7.398  -5.281
  711    HA   LYS  48           HA       LYS  48 -20.593  -7.852  -7.619
  712    HB2  LYS  48           HB2      LYS  48 -20.888 -10.202  -6.635
  713    HB3  LYS  48           HB3      LYS  48 -22.011  -9.466  -5.503
  714    HG2  LYS  48           HG2      LYS  48 -23.311 -10.373  -7.249
  715    HG3  LYS  48           HG3      LYS  48 -23.299  -8.626  -7.499
  716    HD2  LYS  48           HD2      LYS  48 -22.974  -9.818  -9.606
  717    HD3  LYS  48           HD3      LYS  48 -21.543  -8.876  -9.184
  718    HE2  LYS  48           HE2      LYS  48 -20.888 -11.062 -10.004
  719    HE3  LYS  48           HE3      LYS  48 -20.483 -10.906  -8.296
  720    HZ1  LYS  48           HZ1      LYS  48 -22.725 -12.433  -9.500
  721    HZ2  LYS  48           HZ2      LYS  48 -22.632 -12.099  -7.842
  722    HZ3  LYS  48           HZ3      LYS  48 -21.426 -13.030  -8.582
  723    H    ARG  49           H        ARG  49 -21.951  -7.986  -4.356
  724    HA   ARG  49           HA       ARG  49 -23.858  -5.912  -5.161
  725    HB2  ARG  49           HB2      ARG  49 -25.181  -6.692  -3.228
  726    HB3  ARG  49           HB3      ARG  49 -24.800  -8.002  -4.340
  727    HG2  ARG  49           HG2      ARG  49 -23.588  -9.112  -2.817
  728    HG3  ARG  49           HG3      ARG  49 -22.850  -7.640  -2.181
  729    HD2  ARG  49           HD2      ARG  49 -25.560  -8.771  -1.525
  730    HD3  ARG  49           HD3      ARG  49 -24.179  -8.603  -0.448
  731    HE   ARG  49           HE       ARG  49 -25.098  -6.115  -1.563
  732   HH11  ARG  49          HH12      ARG  49 -25.414  -8.379   1.094
  733   HH12  ARG  49          HH11      ARG  49 -26.192  -7.223   2.135
  734   HH21  ARG  49          HH22      ARG  49 -26.108  -4.612  -0.204
  735   HH22  ARG  49          HH21      ARG  49 -26.585  -5.095   1.406
  736    H    THR  50           H        THR  50 -21.471  -4.735  -4.654
  737    HA   THR  50           HA       THR  50 -21.155  -4.199  -1.870
  738    HB   THR  50           HB       THR  50 -19.724  -2.286  -3.373
  739    HG1  THR  50           HG1      THR  50 -19.408  -3.318  -5.208
  740   HG21  THR  50          HG21      THR  50 -17.823  -3.608  -2.540
  741   HG22  THR  50          HG22      THR  50 -18.930  -4.904  -2.091
  742   HG23  THR  50          HG23      THR  50 -19.030  -3.340  -1.281
  743    H    ASP  51           H        ASP  51 -22.804  -3.267  -1.015
  744    HA   ASP  51           HA       ASP  51 -23.757  -0.682  -2.025
  745    HB2  ASP  51           HB2      ASP  51 -24.898  -2.484   0.131
  746    HB3  ASP  51           HB3      ASP  51 -25.612  -0.972  -0.414
  747    H    GLU  52           H        GLU  52 -24.635   0.461   0.302
  748    HA   GLU  52           HA       GLU  52 -22.290   1.478   1.499
  749    HB2  GLU  52           HB2      GLU  52 -25.110   1.538   2.595
  750    HB3  GLU  52           HB3      GLU  52 -23.789   2.601   3.057
  751    HG2  GLU  52           HG2      GLU  52 -24.914   2.465   0.274
  752    HG3  GLU  52           HG3      GLU  52 -25.479   3.593   1.503
  753    H    ALA  53           H        ALA  53 -24.178  -1.328   2.085
  754    HA   ALA  53           HA       ALA  53 -23.585  -1.831   4.783
  755    HB1  ALA  53           HB1      ALA  53 -25.336  -3.005   3.542
  756    HB2  ALA  53           HB2      ALA  53 -24.104  -3.821   2.580
  757    HB3  ALA  53           HB3      ALA  53 -24.219  -4.129   4.313
  758    H    ALA  54           H        ALA  54 -22.015  -3.221   1.867
  759    HA   ALA  54           HA       ALA  54 -19.961  -4.524   3.322
  760    HB1  ALA  54           HB1      ALA  54 -18.819  -4.782   1.163
  761    HB2  ALA  54           HB2      ALA  54 -20.529  -5.241   1.065
  762    HB3  ALA  54           HB3      ALA  54 -19.991  -3.687   0.420
  763    H    PHE  55           H        PHE  55 -20.244  -1.366   1.821
  764    HA   PHE  55           HA       PHE  55 -17.517  -0.622   2.155
  765    HB2  PHE  55           HB2      PHE  55 -20.029   0.788   1.380
  766    HB3  PHE  55           HB3      PHE  55 -18.632   1.752   1.848
  767    HD1  PHE  55           HD2      PHE  55 -16.626   1.770   0.516
  768    HD2  PHE  55           HD1      PHE  55 -20.010  -0.536  -0.649
  769    HE1  PHE  55           HE2      PHE  55 -15.670   1.505  -1.730
  770    HE2  PHE  55           HE1      PHE  55 -19.054  -0.808  -2.900
  771    HZ   PHE  55           HZ       PHE  55 -16.883   0.216  -3.442
  772    H    GLN  56           H        GLN  56 -20.231  -0.653   4.257
  773    HA   GLN  56           HA       GLN  56 -19.541   1.497   5.939
  774    HB2  GLN  56           HB2      GLN  56 -21.765   0.272   5.821
  775    HB3  GLN  56           HB3      GLN  56 -21.023  -0.981   6.806
  776    HG2  GLN  56           HG2      GLN  56 -20.646   0.598   8.593
  777    HG3  GLN  56           HG3      GLN  56 -21.285   1.909   7.603
  778   HE21  GLN  56          HE21      GLN  56 -22.626  -1.314   7.659
  779   HE22  GLN  56          HE22      GLN  56 -24.110  -0.894   8.445
  780    H    LYS  57           H        LYS  57 -18.695  -1.955   6.043
  781    HA   LYS  57           HA       LYS  57 -17.224  -1.539   8.504
  782    HB2  LYS  57           HB2      LYS  57 -18.473  -3.746   7.455
  783    HB3  LYS  57           HB3      LYS  57 -16.776  -4.090   7.137
  784    HG2  LYS  57           HG2      LYS  57 -17.745  -3.221   9.839
  785    HG3  LYS  57           HG3      LYS  57 -17.740  -4.911   9.340
  786    HD2  LYS  57           HD2      LYS  57 -15.434  -5.028   9.297
  787    HD3  LYS  57           HD3      LYS  57 -15.231  -3.287   9.081
  788    HE2  LYS  57           HE2      LYS  57 -15.442  -2.845  11.294
  789    HE3  LYS  57           HE3      LYS  57 -16.519  -4.216  11.590
  790    HZ1  LYS  57           HZ1      LYS  57 -14.505  -5.656  11.229
  791    HZ2  LYS  57           HZ2      LYS  57 -14.478  -4.706  12.637
  792    HZ3  LYS  57           HZ3      LYS  57 -13.570  -4.242  11.287
  793    H    LEU  58           H        LEU  58 -16.602  -1.763   5.087
  794    HA   LEU  58           HA       LEU  58 -13.797  -1.799   5.118
  795    HB2  LEU  58           HB2      LEU  58 -14.952  -1.897   3.024
  796    HB3  LEU  58           HB3      LEU  58 -15.780  -0.383   3.336
  797    HG   LEU  58           HG       LEU  58 -13.761   0.871   3.023
  798   HD11  LEU  58          HD11      LEU  58 -12.362  -1.784   2.724
  799   HD12  LEU  58          HD12      LEU  58 -11.633  -0.195   2.476
  800   HD13  LEU  58          HD13      LEU  58 -12.202  -0.666   4.079
  801   HD21  LEU  58          HD21      LEU  58 -14.885   0.434   0.991
  802   HD22  LEU  58          HD22      LEU  58 -13.173   0.161   0.676
  803   HD23  LEU  58          HD23      LEU  58 -14.258  -1.210   0.904
  804    H    MET  59           H        MET  59 -15.818   1.086   4.797
  805    HA   MET  59           HA       MET  59 -14.222   3.084   5.618
  806    HB2  MET  59           HB2      MET  59 -16.853   2.859   5.135
  807    HB3  MET  59           HB3      MET  59 -16.906   3.025   6.888
  808    HG2  MET  59           HG2      MET  59 -17.147   5.178   5.891
  809    HG3  MET  59           HG3      MET  59 -15.572   5.090   6.687
  810    HE1  MET  59           HE1      MET  59 -13.920   7.005   4.024
  811    HE2  MET  59           HE2      MET  59 -15.432   7.462   4.827
  812    HE3  MET  59           HE3      MET  59 -14.168   6.621   5.733
  813    H    SER  60           H        SER  60 -16.062   0.980   7.787
  814    HA   SER  60           HA       SER  60 -15.398   2.098  10.233
  815    HB2  SER  60           HB2      SER  60 -17.102   0.327   9.858
  816    HB3  SER  60           HB3      SER  60 -15.791  -0.833   9.623
  817    HG   SER  60           HG       SER  60 -16.808   0.250  11.942
  818    H    ASN  61           H        ASN  61 -13.842  -0.718   8.699
  819    HA   ASN  61           HA       ASN  61 -11.757  -0.982  10.596
  820    HB2  ASN  61           HB2      ASN  61 -12.185  -1.945   7.789
  821    HB3  ASN  61           HB3      ASN  61 -10.654  -2.227   8.614
  822   HD21  ASN  61          HD21      ASN  61 -12.588  -4.144   7.661
  823   HD22  ASN  61          HD22      ASN  61 -13.076  -5.071   9.042
  824    H    LEU  62           H        LEU  62 -12.008   0.554   7.495
  825    HA   LEU  62           HA       LEU  62  -9.385   1.392   7.097
  826    HB2  LEU  62           HB2      LEU  62 -11.767   1.631   5.774
  827    HB3  LEU  62           HB3      LEU  62 -11.448   3.292   6.239
  828    HG   LEU  62           HG       LEU  62  -9.385   3.316   5.039
  829   HD11  LEU  62          HD11      LEU  62  -9.884   0.367   4.773
  830   HD12  LEU  62          HD12      LEU  62  -8.703   1.243   3.794
  831   HD13  LEU  62          HD13      LEU  62  -8.515   1.178   5.544
  832   HD21  LEU  62          HD21      LEU  62 -11.474   3.587   3.719
  833   HD22  LEU  62          HD22      LEU  62 -10.134   2.931   2.780
  834   HD23  LEU  62          HD23      LEU  62 -11.419   1.866   3.348
  835    H    ASP  63           H        ASP  63 -12.070   3.209   8.502
  836    HA   ASP  63           HA       ASP  63 -10.733   5.616   8.924
  837    HB2  ASP  63           HB2      ASP  63 -13.130   5.479   8.909
  838    HB3  ASP  63           HB3      ASP  63 -13.127   4.388  10.287
  839    H    SER  64           H        SER  64  -8.791   5.492   9.905
  840    HA   SER  64           HA       SER  64  -8.492   4.032  12.399
  841    HB2  SER  64           HB2      SER  64  -6.092   4.502  12.115
  842    HB3  SER  64           HB3      SER  64  -6.778   3.802  10.650
  843    HG   SER  64           HG       SER  64  -7.055   6.148  10.019
  844    H    ASN  65           H        ASN  65  -9.045   7.217  11.307
  845    HA   ASN  65           HA       ASN  65  -8.022   8.432  13.754
  846    HB2  ASN  65           HB2      ASN  65  -8.456  10.564  12.713
  847    HB3  ASN  65           HB3      ASN  65  -7.646   9.533  11.540
  848   HD21  ASN  65          HD21      ASN  65  -8.857   8.677   9.793
  849   HD22  ASN  65          HD22      ASN  65 -10.360   9.400   9.315
  850    H    ARG  66           H        ARG  66 -10.820   7.031  12.626
  851    HA   ARG  66           HA       ARG  66 -12.832   6.651  13.540
  852    HB2  ARG  66           HB2      ARG  66 -11.438   7.832  15.913
  853    HB3  ARG  66           HB3      ARG  66 -13.157   7.471  15.990
  854    HG2  ARG  66           HG2      ARG  66 -12.024   5.594  16.879
  855    HG3  ARG  66           HG3      ARG  66 -12.596   5.126  15.280
  856    HD2  ARG  66           HD2      ARG  66 -10.256   5.857  14.478
  857    HD3  ARG  66           HD3      ARG  66  -9.808   5.752  16.180
  858    HE   ARG  66           HE       ARG  66 -11.009   3.445  14.791
  859   HH11  ARG  66          HH12      ARG  66  -8.394   4.862  16.668
  860   HH12  ARG  66          HH11      ARG  66  -7.507   3.365  16.772
  861   HH21  ARG  66          HH22      ARG  66  -9.829   1.502  14.926
  862   HH22  ARG  66          HH21      ARG  66  -8.312   1.468  15.775
  863    H    ASP  67           H        ASP  67 -12.794   8.679  11.802
  864    HA   ASP  67           HA       ASP  67 -14.941  10.361  12.926
  865    HB2  ASP  67           HB2      ASP  67 -12.722  11.600  12.498
  866    HB3  ASP  67           HB3      ASP  67 -13.083  11.384  10.786
  867    H    ASN  68           H        ASN  68 -14.173   7.965  10.900
  868    HA   ASN  68           HA       ASN  68 -15.093   6.954   9.103
  869    HB2  ASN  68           HB2      ASN  68 -17.341   8.813   9.815
  870    HB3  ASN  68           HB3      ASN  68 -17.429   7.813   8.367
  871   HD21  ASN  68          HD21      ASN  68 -15.883   5.651   9.624
  872   HD22  ASN  68          HD22      ASN  68 -16.970   4.864  10.717
  873    H    GLU  69           H        GLU  69 -13.357   9.275   8.838
  874    HA   GLU  69           HA       GLU  69 -13.932   9.809   6.003
  875    HB2  GLU  69           HB2      GLU  69 -12.601  11.707   7.951
  876    HB3  GLU  69           HB3      GLU  69 -12.780  11.979   6.226
  877    HG2  GLU  69           HG2      GLU  69 -15.257  11.886   6.563
  878    HG3  GLU  69           HG3      GLU  69 -14.946  11.870   8.301
  879    H    VAL  70           H        VAL  70 -12.417   8.934   4.745
  880    HA   VAL  70           HA       VAL  70  -9.969   7.983   5.976
  881    HB   VAL  70           HB       VAL  70 -11.131   7.559   3.233
  882   HG11  VAL  70          HG11      VAL  70  -8.669   7.633   3.100
  883   HG12  VAL  70          HG12      VAL  70  -8.596   6.360   4.318
  884   HG13  VAL  70          HG13      VAL  70  -9.332   6.035   2.749
  885   HG21  VAL  70          HG21      VAL  70 -11.362   5.260   3.985
  886   HG22  VAL  70          HG22      VAL  70 -10.654   5.693   5.540
  887   HG23  VAL  70          HG23      VAL  70 -12.212   6.366   5.063
  888    H    ASP  71           H        ASP  71  -8.492   9.479   6.245
  889    HA   ASP  71           HA       ASP  71  -7.809  11.401   4.207
  890    HB2  ASP  71           HB2      ASP  71  -7.468  11.670   6.750
  891    HB3  ASP  71           HB3      ASP  71  -6.099  10.573   6.564
  892    H    PHE  72           H        PHE  72  -5.178  11.275   3.734
  893    HA   PHE  72           HA       PHE  72  -4.958   8.988   2.078
  894    HB2  PHE  72           HB2      PHE  72  -3.789  11.186   1.676
  895    HB3  PHE  72           HB3      PHE  72  -2.650  10.724   2.946
  896    HD1  PHE  72           HD1      PHE  72  -4.303   8.725   0.317
  897    HD2  PHE  72           HD2      PHE  72  -0.639  10.201   1.889
  898    HE1  PHE  72           HE1      PHE  72  -3.081   7.339  -1.284
  899    HE2  PHE  72           HE2      PHE  72   0.592   8.831   0.266
  900    HZ   PHE  72           HZ       PHE  72  -0.597   7.383  -1.275
  901    H    GLN  73           H        GLN  73  -4.120   9.646   5.323
  902    HA   GLN  73           HA       GLN  73  -2.215   7.763   5.956
  903    HB2  GLN  73           HB2      GLN  73  -4.632   8.452   7.639
  904    HB3  GLN  73           HB3      GLN  73  -3.098   7.816   8.215
  905    HG2  GLN  73           HG2      GLN  73  -3.282  10.451   6.798
  906    HG3  GLN  73           HG3      GLN  73  -3.568  10.302   8.526
  907   HE21  GLN  73          HE21      GLN  73  -1.229   8.309   6.871
  908   HE22  GLN  73          HE22      GLN  73   0.169   9.052   7.553
  909    H    GLU  74           H        GLU  74  -5.770   7.287   6.274
  910    HA   GLU  74           HA       GLU  74  -5.358   4.460   6.611
  911    HB2  GLU  74           HB2      GLU  74  -8.016   4.598   6.337
  912    HB3  GLU  74           HB3      GLU  74  -7.186   4.940   7.844
  913    HG2  GLU  74           HG2      GLU  74  -7.677   7.179   5.958
  914    HG3  GLU  74           HG3      GLU  74  -9.030   6.539   6.889
  915    H    TYR  75           H        TYR  75  -5.553   6.469   3.965
  916    HA   TYR  75           HA       TYR  75  -6.854   4.659   2.167
  917    HB2  TYR  75           HB2      TYR  75  -6.695   7.168   1.889
  918    HB3  TYR  75           HB3      TYR  75  -5.004   6.941   1.469
  919    HD1  TYR  75           HD1      TYR  75  -4.522   5.334  -0.515
  920    HD2  TYR  75           HD2      TYR  75  -8.321   7.115   0.250
  921    HE1  TYR  75           HE1      TYR  75  -5.163   4.931  -2.858
  922    HE2  TYR  75           HE2      TYR  75  -8.963   6.714  -2.103
  923    HH   TYR  75           HH       TYR  75  -7.905   6.360  -4.271
  924    H    CYS  76           H        CYS  76  -3.503   5.427   3.020
  925    HA   CYS  76           HA       CYS  76  -2.245   3.723   1.155
  926    HB2  CYS  76           HB2      CYS  76  -1.317   4.545   3.896
  927    HB3  CYS  76           HB3      CYS  76  -0.305   3.840   2.644
  928    HG   CYS  76           HG       CYS  76  -0.875   6.036   0.869
  929    H    VAL  77           H        VAL  77  -3.349   3.171   4.446
  930    HA   VAL  77           HA       VAL  77  -2.441   0.455   4.413
  931    HB   VAL  77           HB       VAL  77  -3.544   0.256   6.595
  932   HG11  VAL  77          HG11      VAL  77  -1.853   2.713   6.178
  933   HG12  VAL  77          HG12      VAL  77  -2.149   1.945   7.738
  934   HG13  VAL  77          HG13      VAL  77  -1.283   1.069   6.477
  935   HG21  VAL  77          HG21      VAL  77  -5.470   1.701   6.211
  936   HG22  VAL  77          HG22      VAL  77  -4.567   2.231   7.630
  937   HG23  VAL  77          HG23      VAL  77  -4.409   3.107   6.106
  938    H    PHE  78           H        PHE  78  -5.314   2.117   3.461
  939    HA   PHE  78           HA       PHE  78  -7.159   0.076   3.323
  940    HB2  PHE  78           HB2      PHE  78  -7.663   2.361   2.560
  941    HB3  PHE  78           HB3      PHE  78  -6.490   2.207   1.261
  942    HD1  PHE  78           HD2      PHE  78  -9.220  -0.109   2.342
  943    HD2  PHE  78           HD1      PHE  78  -7.570   2.395  -0.669
  944    HE1  PHE  78           HE2      PHE  78 -10.949  -0.871   0.761
  945    HE2  PHE  78           HE1      PHE  78  -9.280   1.650  -2.249
  946    HZ   PHE  78           HZ       PHE  78 -10.984   0.013  -1.537
  947    H    LEU  79           H        LEU  79  -4.931   1.014   0.748
  948    HA   LEU  79           HA       LEU  79  -5.437  -1.305  -0.767
  949    HB2  LEU  79           HB2      LEU  79  -3.250   0.750  -0.947
  950    HB3  LEU  79           HB3      LEU  79  -3.544  -0.494  -2.154
  951    HG   LEU  79           HG       LEU  79  -5.373   1.760  -1.374
  952   HD11  LEU  79          HD11      LEU  79  -4.048   1.012  -3.972
  953   HD12  LEU  79          HD12      LEU  79  -5.177   2.346  -3.740
  954   HD13  LEU  79          HD13      LEU  79  -3.614   2.362  -2.928
  955   HD21  LEU  79          HD21      LEU  79  -6.991   0.804  -2.908
  956   HD22  LEU  79          HD22      LEU  79  -5.915  -0.559  -3.217
  957   HD23  LEU  79          HD23      LEU  79  -6.617  -0.340  -1.613
  958    H    SER  80           H        SER  80  -2.698  -0.418   1.301
  959    HA   SER  80           HA       SER  80  -1.109  -2.579   0.439
  960    HB2  SER  80           HB2      SER  80  -0.960  -1.031   3.021
  961    HB3  SER  80           HB3      SER  80   0.329  -2.010   2.312
  962    HG   SER  80           HG       SER  80  -0.767   0.423   1.405
  963    H    CYS  81           H        CYS  81  -3.562  -2.283   2.913
  964    HA   CYS  81           HA       CYS  81  -3.002  -4.916   3.931
  965    HB2  CYS  81           HB2      CYS  81  -5.212  -2.946   4.454
  966    HB3  CYS  81           HB3      CYS  81  -5.149  -4.546   5.202
  967    HG   CYS  81           HG       CYS  81  -2.619  -2.261   5.487
  968    H    ILE  82           H        ILE  82  -4.826  -3.585   1.322
  969    HA   ILE  82           HA       ILE  82  -6.461  -5.953   1.010
  970    HB   ILE  82           HB       ILE  82  -5.892  -4.002  -1.227
  971   HG12  ILE  82          HG12      ILE  82  -8.023  -3.802   0.911
  972   HG13  ILE  82          HG13      ILE  82  -6.692  -2.676   0.652
  973   HG21  ILE  82          HG21      ILE  82  -8.356  -5.642  -0.638
  974   HG22  ILE  82          HG22      ILE  82  -7.960  -4.782  -2.129
  975   HG23  ILE  82          HG23      ILE  82  -7.029  -6.210  -1.661
  976   HD11  ILE  82          HD11      ILE  82  -8.776  -1.799  -0.221
  977   HD12  ILE  82          HD12      ILE  82  -7.607  -2.072  -1.514
  978   HD13  ILE  82          HD13      ILE  82  -8.937  -3.205  -1.273
  979    H    ALA  83           H        ALA  83  -3.257  -4.854   0.028
  980    HA   ALA  83           HA       ALA  83  -2.534  -6.806  -1.781
  981    HB1  ALA  83           HB1      ALA  83  -0.983  -5.112  -0.931
  982    HB2  ALA  83           HB2      ALA  83  -0.953  -5.923   0.634
  983    HB3  ALA  83           HB3      ALA  83  -0.300  -6.730  -0.790
  984    H    MET  84           H        MET  84  -2.138  -7.075   1.713
  985    HA   MET  84           HA       MET  84  -1.655  -9.814   1.834
  986    HB2  MET  84           HB2      MET  84  -2.888  -7.970   3.877
  987    HB3  MET  84           HB3      MET  84  -2.391  -9.621   4.223
  988    HG2  MET  84           HG2      MET  84  -0.102  -9.088   3.748
  989    HG3  MET  84           HG3      MET  84  -0.553  -7.467   3.213
  990    HE1  MET  84           HE1      MET  84  -1.257  -5.495   4.849
  991    HE2  MET  84           HE2      MET  84  -2.662  -6.522   5.150
  992    HE3  MET  84           HE3      MET  84  -1.782  -5.805   6.504
  993    H    MET  85           H        MET  85  -4.683  -8.036   1.897
  994    HA   MET  85           HA       MET  85  -6.288 -10.289   2.536
  995    HB2  MET  85           HB2      MET  85  -6.978  -7.940   2.989
  996    HB3  MET  85           HB3      MET  85  -7.101  -7.679   1.249
  997    HG2  MET  85           HG2      MET  85  -8.626  -9.958   2.336
  998    HG3  MET  85           HG3      MET  85  -9.181  -8.339   2.772
  999    HE1  MET  85           HE1      MET  85 -10.404  -6.746  -0.368
 1000    HE2  MET  85           HE2      MET  85 -10.971  -7.149   1.257
 1001    HE3  MET  85           HE3      MET  85  -9.357  -6.446   1.032
 1002    H    CYS  86           H        CYS  86  -5.467  -8.660  -0.543
 1003    HA   CYS  86           HA       CYS  86  -7.077 -10.274  -2.188
 1004    HB2  CYS  86           HB2      CYS  86  -6.193  -8.174  -3.001
 1005    HB3  CYS  86           HB3      CYS  86  -4.540  -8.747  -2.801
 1006    HG   CYS  86           HG       CYS  86  -5.712 -10.953  -4.719
 1007    H    ASN  87           H        ASN  87  -4.060 -10.944  -0.628
 1008    HA   ASN  87           HA       ASN  87  -2.936 -12.812  -2.356
 1009    HB2  ASN  87           HB2      ASN  87  -1.741 -12.062  -0.382
 1010    HB3  ASN  87           HB3      ASN  87  -2.942 -12.804   0.669
 1011   HD21  ASN  87          HD21      ASN  87  -0.293 -13.397  -1.530
 1012   HD22  ASN  87          HD22      ASN  87  -0.002 -15.027  -1.041
 1013    H    GLU  88           H        GLU  88  -5.491 -13.223   0.037
 1014    HA   GLU  88           HA       GLU  88  -5.721 -16.027  -0.175
 1015    HB2  GLU  88           HB2      GLU  88  -6.657 -14.598   1.658
 1016    HB3  GLU  88           HB3      GLU  88  -7.890 -14.044   0.535
 1017    HG2  GLU  88           HG2      GLU  88  -8.778 -16.272   0.338
 1018    HG3  GLU  88           HG3      GLU  88  -7.475 -16.912   1.341
 1019    H    PHE  89           H        PHE  89  -7.107 -13.367  -1.983
 1020    HA   PHE  89           HA       PHE  89  -8.849 -15.065  -3.544
 1021    HB2  PHE  89           HB2      PHE  89  -9.438 -12.712  -2.935
 1022    HB3  PHE  89           HB3      PHE  89  -8.113 -12.152  -3.948
 1023    HD1  PHE  89           HD1      PHE  89 -11.238 -14.169  -4.100
 1024    HD2  PHE  89           HD2      PHE  89  -8.502 -11.647  -6.169
 1025    HE1  PHE  89           HE1      PHE  89 -12.748 -14.132  -6.043
 1026    HE2  PHE  89           HE2      PHE  89 -10.008 -11.606  -8.115
 1027    HZ   PHE  89           HZ       PHE  89 -12.132 -12.850  -8.053
 1028    H    PHE  90           H        PHE  90  -5.636 -13.841  -3.702
 1029    HA   PHE  90           HA       PHE  90  -5.244 -14.162  -6.516
 1030    HB2  PHE  90           HB2      PHE  90  -3.859 -12.631  -5.165
 1031    HB3  PHE  90           HB3      PHE  90  -3.219 -14.004  -4.270
 1032    HD1  PHE  90           HD2      PHE  90  -3.598 -12.894  -7.816
 1033    HD2  PHE  90           HD1      PHE  90  -1.150 -14.772  -4.883
 1034    HE1  PHE  90           HE2      PHE  90  -1.793 -13.117  -9.470
 1035    HE2  PHE  90           HE1      PHE  90   0.663 -14.995  -6.533
 1036    HZ   PHE  90           HZ       PHE  90   0.340 -14.168  -8.831
 1037    H    GLU  91           H        GLU  91  -4.392 -16.077  -3.639
 1038    HA   GLU  91           HA       GLU  91  -3.522 -18.343  -5.110
 1039    HB2  GLU  91           HB2      GLU  91  -4.734 -18.280  -2.334
 1040    HB3  GLU  91           HB3      GLU  91  -3.758 -19.574  -3.017
 1041    HG2  GLU  91           HG2      GLU  91  -2.834 -16.782  -2.369
 1042    HG3  GLU  91           HG3      GLU  91  -2.448 -18.252  -1.479
 1043    H    GLY  92           H        GLY  92  -6.612 -17.406  -3.642
 1044    HA2  GLY  92           HA2      GLY  92  -8.621 -17.529  -4.894
 1045    HA3  GLY  92           HA3      GLY  92  -7.934 -18.851  -5.822
 1046    H    PHE  93           H        PHE  93  -7.017 -20.198  -3.325
 1047    HA   PHE  93           HA       PHE  93  -9.642 -21.205  -2.542
 1048    HB2  PHE  93           HB2      PHE  93  -8.515 -23.421  -2.184
 1049    HB3  PHE  93           HB3      PHE  93  -8.607 -22.892  -3.855
 1050    HD1  PHE  93           HD2      PHE  93  -6.535 -21.930  -4.930
 1051    HD2  PHE  93           HD1      PHE  93  -6.463 -23.944  -1.181
 1052    HE1  PHE  93           HE2      PHE  93  -4.115 -22.295  -5.176
 1053    HE2  PHE  93           HE1      PHE  93  -4.044 -24.316  -1.424
 1054    HZ   PHE  93           HZ       PHE  93  -2.868 -23.490  -3.423
 1055    HA   PRO  94           HA       PRO  94  -8.056 -19.937   1.505
 1056    HB2  PRO  94           HB2      PRO  94 -10.835 -19.606   2.227
 1057    HB3  PRO  94           HB3      PRO  94  -9.586 -18.370   2.071
 1058    HG2  PRO  94           HG2      PRO  94 -11.728 -18.591   0.382
 1059    HG3  PRO  94           HG3      PRO  94 -10.177 -17.868  -0.078
 1060    HD2  PRO  94           HD2      PRO  94 -11.233 -20.611  -0.647
 1061    HD3  PRO  94           HD3      PRO  94 -10.312 -19.515  -1.701
 1062    H    ASP  95           H        ASP  95  -7.442 -22.111   1.855
 1063    HA   ASP  95           HA       ASP  95  -7.524 -24.213   2.686
 1064    HB2  ASP  95           HB2      ASP  95  -7.866 -22.851   4.746
 1065    HB3  ASP  95           HB3      ASP  95  -9.604 -23.060   4.554
 1066    H    LYS  96           H        LYS  96  -8.907 -24.136   0.428
 1067    HA   LYS  96           HA       LYS  96 -10.465 -26.481   0.739
 1068    HB2  LYS  96           HB2      LYS  96 -12.211 -24.800   1.294
 1069    HB3  LYS  96           HB3      LYS  96 -11.962 -24.059  -0.283
 1070    HG2  LYS  96           HG2      LYS  96 -12.690 -26.072  -1.395
 1071    HG3  LYS  96           HG3      LYS  96 -12.826 -26.914   0.149
 1072    HD2  LYS  96           HD2      LYS  96 -15.019 -26.263  -0.558
 1073    HD3  LYS  96           HD3      LYS  96 -14.562 -25.264   0.820
 1074    HE2  LYS  96           HE2      LYS  96 -14.069 -23.407  -0.609
 1075    HE3  LYS  96           HE3      LYS  96 -14.283 -24.400  -2.051
 1076    HZ1  LYS  96           HZ1      LYS  96 -16.445 -23.858  -0.091
 1077    HZ2  LYS  96           HZ2      LYS  96 -16.597 -24.595  -1.611
 1078    HZ3  LYS  96           HZ3      LYS  96 -16.205 -22.948  -1.503
 1079    H    GLN  97           H        GLN  97  -9.405 -27.545  -0.751
 1080    HA   GLN  97           HA       GLN  97  -8.346 -26.415  -3.125
 1081    HB2  GLN  97           HB2      GLN  97  -7.862 -28.741  -3.754
 1082    HB3  GLN  97           HB3      GLN  97  -7.392 -28.418  -2.092
 1083    HG2  GLN  97           HG2      GLN  97  -9.531 -29.459  -1.355
 1084    HG3  GLN  97           HG3      GLN  97  -9.833 -29.903  -3.033
 1085   HE21  GLN  97          HE21      GLN  97  -6.663 -29.895  -1.571
 1086   HE22  GLN  97          HE22      GLN  97  -6.437 -31.615  -1.595
 1087    HA   PRO  98           HA       PRO  98 -11.871 -26.621  -5.838
 1088    HB2  PRO  98           HB2      PRO  98 -10.589 -27.067  -8.212
 1089    HB3  PRO  98           HB3      PRO  98 -10.690 -25.484  -7.435
 1090    HG2  PRO  98           HG2      PRO  98  -8.444 -27.452  -7.441
 1091    HG3  PRO  98           HG3      PRO  98  -8.387 -25.685  -7.565
 1092    HD2  PRO  98           HD2      PRO  98  -7.839 -27.010  -5.265
 1093    HD3  PRO  98           HD3      PRO  98  -8.574 -25.393  -5.288
 1094    H    ARG  99           H        ARG  99 -12.534 -28.605  -4.803
 1095    HA   ARG  99           HA       ARG  99 -11.767 -31.078  -6.171
 1096    HB2  ARG  99           HB2      ARG  99 -11.759 -30.825  -3.621
 1097    HB3  ARG  99           HB3      ARG  99 -13.512 -30.819  -3.722
 1098    HG2  ARG  99           HG2      ARG  99 -12.969 -33.021  -3.209
 1099    HG3  ARG  99           HG3      ARG  99 -13.273 -33.048  -4.945
 1100    HD2  ARG  99           HD2      ARG  99 -10.544 -32.853  -3.671
 1101    HD3  ARG  99           HD3      ARG  99 -11.267 -34.341  -4.273
 1102    HE   ARG  99           HE       ARG  99 -11.341 -32.979  -6.486
 1103   HH11  ARG  99          HH12      ARG  99  -8.798 -32.882  -4.077
 1104   HH12  ARG  99          HH11      ARG  99  -7.551 -32.521  -5.236
 1105   HH21  ARG  99          HH22      ARG  99  -9.697 -32.501  -7.996
 1106   HH22  ARG  99          HH21      ARG  99  -8.058 -32.313  -7.447
 1107    H    LYS 100           H        LYS 100 -13.072 -31.934  -7.647
 1108    HA   LYS 100           HA       LYS 100 -15.483 -30.668  -8.417
 1109    HB2  LYS 100           HB2      LYS 100 -13.980 -31.850  -9.984
 1110    HB3  LYS 100           HB3      LYS 100 -14.412 -33.376  -9.227
 1111    HG2  LYS 100           HG2      LYS 100 -16.751 -33.025  -9.911
 1112    HG3  LYS 100           HG3      LYS 100 -16.265 -31.537 -10.728
 1113    HD2  LYS 100           HD2      LYS 100 -16.379 -33.273 -12.369
 1114    HD3  LYS 100           HD3      LYS 100 -14.677 -32.902 -12.092
 1115    HE2  LYS 100           HE2      LYS 100 -14.590 -34.831 -10.512
 1116    HE3  LYS 100           HE3      LYS 100 -16.235 -35.239 -11.000
 1117    HZ1  LYS 100           HZ1      LYS 100 -13.784 -35.268 -12.666
 1118    HZ2  LYS 100           HZ2      LYS 100 -15.337 -35.329 -13.336
 1119    HZ3  LYS 100           HZ3      LYS 100 -14.811 -36.564 -12.300
 1120    H    LYS 101           H        LYS 101 -17.164 -30.727  -7.055
 1121    HA   LYS 101           HA       LYS 101 -18.112 -33.383  -6.207
 1122    HB2  LYS 101           HB2      LYS 101 -18.407 -30.748  -4.752
 1123    HB3  LYS 101           HB3      LYS 101 -19.160 -32.259  -4.260
 1124    HG2  LYS 101           HG2      LYS 101 -16.933 -33.257  -3.978
 1125    HG3  LYS 101           HG3      LYS 101 -16.206 -31.707  -4.411
 1126    HD2  LYS 101           HD2      LYS 101 -17.224 -30.653  -2.490
 1127    HD3  LYS 101           HD3      LYS 101 -18.080 -32.143  -2.089
 1128    HE2  LYS 101           HE2      LYS 101 -15.898 -33.267  -1.789
 1129    HE3  LYS 101           HE3      LYS 101 -15.094 -31.726  -2.084
 1130    HZ1  LYS 101           HZ1      LYS 101 -15.320 -32.215   0.279
 1131    HZ2  LYS 101           HZ2      LYS 101 -17.007 -32.260   0.126
 1132    HZ3  LYS 101           HZ3      LYS 101 -16.169 -30.809  -0.142
 1133    H    MET   1           H1       MET   1  -3.999   0.508 -21.495
 1134    HA   MET   1           HA       MET   1  -2.378   0.734 -19.789
 1135    HB2  MET   1           HB2      MET   1  -4.402   2.569 -18.480
 1136    HB3  MET   1           HB3      MET   1  -2.923   1.998 -17.724
 1137    HG2  MET   1           HG2      MET   1  -3.092   3.726 -20.179
 1138    HG3  MET   1           HG3      MET   1  -2.697   4.273 -18.552
 1139    HE1  MET   1           HE1      MET   1   0.717   4.598 -20.442
 1140    HE2  MET   1           HE2      MET   1  -0.895   4.894 -21.094
 1141    HE3  MET   1           HE3      MET   1  -0.493   5.433 -19.465
 1142    H    ALA   2           H        ALA   2  -2.700  -0.150 -17.426
 1143    HA   ALA   2           HA       ALA   2  -4.778  -2.187 -17.561
 1144    HB1  ALA   2           HB1      ALA   2  -2.477  -2.841 -16.978
 1145    HB2  ALA   2           HB2      ALA   2  -2.542  -1.782 -15.570
 1146    HB3  ALA   2           HB3      ALA   2  -3.606  -3.187 -15.665
 1147    H    CYS   3           H        CYS   3  -5.916  -2.618 -15.369
 1148    HA   CYS   3           HA       CYS   3  -7.286  -0.299 -14.504
 1149    HB2  CYS   3           HB2      CYS   3  -7.084  -3.005 -13.156
 1150    HB3  CYS   3           HB3      CYS   3  -8.283  -1.765 -12.803
 1151    HG   CYS   3           HG       CYS   3  -9.437  -3.893 -14.257
 1152    HA   PRO   4           HA       PRO   4  -3.623   1.183 -12.503
 1153    HB2  PRO   4           HB2      PRO   4  -5.627   3.083 -11.386
 1154    HB3  PRO   4           HB3      PRO   4  -4.068   3.425 -12.147
 1155    HG2  PRO   4           HG2      PRO   4  -6.259   3.831 -13.528
 1156    HG3  PRO   4           HG3      PRO   4  -4.906   2.973 -14.303
 1157    HD2  PRO   4           HD2      PRO   4  -7.422   1.850 -13.111
 1158    HD3  PRO   4           HD3      PRO   4  -6.624   1.439 -14.645
 1159    H    LEU   5           H        LEU   5  -6.476   1.599 -10.401
 1160    HA   LEU   5           HA       LEU   5  -4.966   1.162  -8.040
 1161    HB2  LEU   5           HB2      LEU   5  -7.346   2.316  -8.569
 1162    HB3  LEU   5           HB3      LEU   5  -7.898   0.761  -7.982
 1163    HG   LEU   5           HG       LEU   5  -7.906   2.397  -6.196
 1164   HD11  LEU   5          HD11      LEU   5  -5.749   0.338  -5.880
 1165   HD12  LEU   5          HD12      LEU   5  -6.527   1.218  -4.563
 1166   HD13  LEU   5          HD13      LEU   5  -7.473   0.122  -5.574
 1167   HD21  LEU   5          HD21      LEU   5  -4.949   2.654  -6.695
 1168   HD22  LEU   5          HD22      LEU   5  -6.172   3.891  -6.984
 1169   HD23  LEU   5          HD23      LEU   5  -5.835   3.354  -5.337
 1170    H    GLU   6           H        GLU   6  -6.894  -0.928 -10.117
 1171    HA   GLU   6           HA       GLU   6  -7.159  -3.048  -8.270
 1172    HB2  GLU   6           HB2      GLU   6  -8.582  -2.797 -10.294
 1173    HB3  GLU   6           HB3      GLU   6  -7.199  -3.241 -11.287
 1174    HG2  GLU   6           HG2      GLU   6  -7.147  -5.436 -10.384
 1175    HG3  GLU   6           HG3      GLU   6  -8.310  -5.014  -9.129
 1176    H    LYS   7           H        LYS   7  -4.766  -2.338 -10.786
 1177    HA   LYS   7           HA       LYS   7  -3.332  -4.756 -10.462
 1178    HB2  LYS   7           HB2      LYS   7  -2.432  -2.092 -11.584
 1179    HB3  LYS   7           HB3      LYS   7  -1.462  -3.561 -11.638
 1180    HG2  LYS   7           HG2      LYS   7  -4.084  -3.018 -13.009
 1181    HG3  LYS   7           HG3      LYS   7  -2.510  -3.307 -13.748
 1182    HD2  LYS   7           HD2      LYS   7  -4.133  -5.312 -12.179
 1183    HD3  LYS   7           HD3      LYS   7  -3.955  -5.268 -13.930
 1184    HE2  LYS   7           HE2      LYS   7  -1.711  -5.669 -11.959
 1185    HE3  LYS   7           HE3      LYS   7  -2.509  -6.952 -12.863
 1186    HZ1  LYS   7           HZ1      LYS   7  -0.471  -6.350 -13.938
 1187    HZ2  LYS   7           HZ2      LYS   7  -0.924  -4.720 -14.004
 1188    HZ3  LYS   7           HZ3      LYS   7  -1.769  -5.863 -14.923
 1189    H    ALA   8           H        ALA   8  -3.364  -1.774  -8.699
 1190    HA   ALA   8           HA       ALA   8  -0.902  -1.843  -7.434
 1191    HB1  ALA   8           HB1      ALA   8  -2.486   0.006  -7.190
 1192    HB2  ALA   8           HB2      ALA   8  -3.532  -1.020  -6.207
 1193    HB3  ALA   8           HB3      ALA   8  -1.927  -0.580  -5.623
 1194    H    LEU   9           H        LEU   9  -3.942  -3.366  -6.274
 1195    HA   LEU   9           HA       LEU   9  -2.555  -4.709  -4.150
 1196    HB2  LEU   9           HB2      LEU   9  -5.302  -5.434  -5.184
 1197    HB3  LEU   9           HB3      LEU   9  -4.616  -5.819  -3.632
 1198    HG   LEU   9           HG       LEU   9  -6.105  -4.129  -3.127
 1199   HD11  LEU   9          HD11      LEU   9  -4.792  -2.174  -2.543
 1200   HD12  LEU   9          HD12      LEU   9  -3.939  -3.674  -2.170
 1201   HD13  LEU   9          HD13      LEU   9  -3.489  -2.733  -3.594
 1202   HD21  LEU   9          HD21      LEU   9  -6.469  -2.116  -4.365
 1203   HD22  LEU   9          HD22      LEU   9  -5.141  -2.493  -5.460
 1204   HD23  LEU   9          HD23      LEU   9  -6.599  -3.487  -5.466
 1205    H    ASP  10           H        ASP  10  -3.541  -5.476  -7.395
 1206    HA   ASP  10           HA       ASP  10  -3.199  -8.246  -7.408
 1207    HB2  ASP  10           HB2      ASP  10  -4.211  -7.137  -9.290
 1208    HB3  ASP  10           HB3      ASP  10  -2.755  -6.195  -9.584
 1209    H    VAL  11           H        VAL  11  -0.849  -5.696  -8.196
 1210    HA   VAL  11           HA       VAL  11   1.249  -7.572  -8.689
 1211    HB   VAL  11           HB       VAL  11   2.687  -5.683  -9.013
 1212   HG11  VAL  11          HG11      VAL  11   1.078  -6.196 -10.777
 1213   HG12  VAL  11          HG12      VAL  11  -0.082  -5.085 -10.046
 1214   HG13  VAL  11          HG13      VAL  11   1.429  -4.468 -10.713
 1215   HG21  VAL  11          HG21      VAL  11   1.969  -3.384  -8.543
 1216   HG22  VAL  11          HG22      VAL  11   0.486  -3.999  -7.812
 1217   HG23  VAL  11          HG23      VAL  11   2.046  -4.349  -7.070
 1218    H    MET  12           H        MET  12   0.074  -5.937  -5.893
 1219    HA   MET  12           HA       MET  12   2.313  -5.968  -4.235
 1220    HB2  MET  12           HB2      MET  12  -0.628  -6.163  -3.759
 1221    HB3  MET  12           HB3      MET  12   0.486  -6.398  -2.419
 1222    HG2  MET  12           HG2      MET  12   1.351  -4.224  -2.618
 1223    HG3  MET  12           HG3      MET  12   0.604  -3.992  -4.198
 1224    HE1  MET  12           HE1      MET  12  -0.007  -1.580  -2.885
 1225    HE2  MET  12           HE2      MET  12  -1.094  -1.550  -1.484
 1226    HE3  MET  12           HE3      MET  12   0.528  -2.233  -1.328
 1227    H    VAL  13           H        VAL  13  -0.053  -8.533  -4.900
 1228    HA   VAL  13           HA       VAL  13   1.553 -10.406  -3.355
 1229    HB   VAL  13           HB       VAL  13  -0.225 -12.068  -3.947
 1230   HG11  VAL  13          HG11      VAL  13  -0.242 -10.847  -1.839
 1231   HG12  VAL  13          HG12      VAL  13  -1.134  -9.530  -2.599
 1232   HG13  VAL  13          HG13      VAL  13  -1.884 -11.116  -2.426
 1233   HG21  VAL  13          HG21      VAL  13  -2.342 -11.212  -4.836
 1234   HG22  VAL  13          HG22      VAL  13  -1.592  -9.639  -5.103
 1235   HG23  VAL  13          HG23      VAL  13  -1.031 -11.049  -6.005
 1236    H    SER  14           H        SER  14   0.925  -9.593  -6.695
 1237    HA   SER  14           HA       SER  14   1.944 -12.025  -7.792
 1238    HB2  SER  14           HB2      SER  14   1.602  -9.305  -9.077
 1239    HB3  SER  14           HB3      SER  14   1.933 -10.808  -9.940
 1240    HG   SER  14           HG       SER  14  -0.401  -9.988  -8.593
 1241    H    THR  15           H        THR  15   3.313  -8.725  -7.747
 1242    HA   THR  15           HA       THR  15   5.894  -9.469  -8.593
 1243    HB   THR  15           HB       THR  15   5.093  -7.066  -6.930
 1244    HG1  THR  15           HG1      THR  15   5.288  -6.283  -9.370
 1245   HG21  THR  15          HG21      THR  15   7.393  -7.407  -8.856
 1246   HG22  THR  15          HG22      THR  15   7.538  -7.466  -7.102
 1247   HG23  THR  15          HG23      THR  15   7.026  -5.976  -7.894
 1248    H    PHE  16           H        PHE  16   4.311  -9.448  -5.520
 1249    HA   PHE  16           HA       PHE  16   6.294  -9.570  -3.646
 1250    HB2  PHE  16           HB2      PHE  16   3.924  -9.630  -3.109
 1251    HB3  PHE  16           HB3      PHE  16   3.767 -11.221  -3.833
 1252    HD1  PHE  16           HD2      PHE  16   5.673  -9.478  -1.152
 1253    HD2  PHE  16           HD1      PHE  16   3.774 -13.046  -2.460
 1254    HE1  PHE  16           HE2      PHE  16   6.084 -10.494   1.047
 1255    HE2  PHE  16           HE1      PHE  16   4.176 -14.069  -0.261
 1256    HZ   PHE  16           HZ       PHE  16   5.333 -12.792   1.495
 1257    H    HIS  17           H        HIS  17   4.820 -12.540  -4.974
 1258    HA   HIS  17           HA       HIS  17   7.000 -14.141  -4.065
 1259    HB2  HIS  17           HB2      HIS  17   5.857 -16.021  -5.078
 1260    HB3  HIS  17           HB3      HIS  17   4.681 -15.014  -4.248
 1261    HD1  HIS  17           HD1      HIS  17   5.747 -16.119  -7.675
 1262    HD2  HIS  17           HD2      HIS  17   2.730 -13.880  -5.885
 1263    HE1  HIS  17           HE1      HIS  17   4.021 -15.748  -9.464
 1264    HE2  HIS  17           HE2      HIS  17   2.116 -14.602  -8.292
 1265    H    LYS  18           H        LYS  18   6.512 -12.254  -6.801
 1266    HA   LYS  18           HA       LYS  18   7.844 -13.740  -8.785
 1267    HB2  LYS  18           HB2      LYS  18   6.370 -11.882  -9.307
 1268    HB3  LYS  18           HB3      LYS  18   7.435 -10.764  -8.473
 1269    HG2  LYS  18           HG2      LYS  18   9.176 -11.200 -10.150
 1270    HG3  LYS  18           HG3      LYS  18   8.064 -12.278 -11.000
 1271    HD2  LYS  18           HD2      LYS  18   6.532 -10.461 -11.398
 1272    HD3  LYS  18           HD3      LYS  18   7.509  -9.371 -10.415
 1273    HE2  LYS  18           HE2      LYS  18   9.369  -9.669 -12.030
 1274    HE3  LYS  18           HE3      LYS  18   8.290 -10.634 -13.039
 1275    HZ1  LYS  18           HZ1      LYS  18   8.387  -8.348 -13.797
 1276    HZ2  LYS  18           HZ2      LYS  18   7.879  -7.787 -12.275
 1277    HZ3  LYS  18           HZ3      LYS  18   6.827  -8.713 -13.234
 1278    H    TYR  19           H        TYR  19   9.017 -11.372  -6.408
 1279    HA   TYR  19           HA       TYR  19  11.739 -11.797  -7.444
 1280    HB2  TYR  19           HB2      TYR  19  10.579  -9.538  -5.816
 1281    HB3  TYR  19           HB3      TYR  19  12.304  -9.722  -6.119
 1282    HD1  TYR  19           HD2      TYR  19   9.033  -9.189  -7.750
 1283    HD2  TYR  19           HD1      TYR  19  13.258  -9.038  -8.183
 1284    HE1  TYR  19           HE2      TYR  19   8.767  -8.016  -9.887
 1285    HE2  TYR  19           HE1      TYR  19  12.998  -7.860 -10.330
 1286    HH   TYR  19           HH       TYR  19   9.900  -6.667 -11.394
 1287    H    SER  20           H        SER  20   9.748 -12.411  -4.701
 1288    HA   SER  20           HA       SER  20  11.963 -12.778  -2.893
 1289    HB2  SER  20           HB2      SER  20  10.191 -13.749  -1.391
 1290    HB3  SER  20           HB3      SER  20   9.871 -12.100  -1.933
 1291    HG   SER  20           HG       SER  20   8.208 -12.772  -3.045
 1292    H    GLY  21           H        GLY  21   9.982 -14.763  -4.995
 1293    HA2  GLY  21           HA2      GLY  21  11.078 -17.249  -4.045
 1294    HA3  GLY  21           HA3      GLY  21  10.050 -17.030  -5.452
 1295    H    LYS  22           H        LYS  22  12.992 -15.222  -4.958
 1296    HA   LYS  22           HA       LYS  22  14.139 -16.579  -7.295
 1297    HB2  LYS  22           HB2      LYS  22  14.519 -13.818  -6.153
 1298    HB3  LYS  22           HB3      LYS  22  15.651 -14.502  -7.316
 1299    HG2  LYS  22           HG2      LYS  22  13.918 -14.689  -8.966
 1300    HG3  LYS  22           HG3      LYS  22  12.698 -14.183  -7.793
 1301    HD2  LYS  22           HD2      LYS  22  13.712 -11.998  -7.621
 1302    HD3  LYS  22           HD3      LYS  22  15.030 -12.494  -8.682
 1303    HE2  LYS  22           HE2      LYS  22  12.132 -12.450  -9.497
 1304    HE3  LYS  22           HE3      LYS  22  13.259 -11.128  -9.792
 1305    HZ1  LYS  22           HZ1      LYS  22  13.136 -12.469 -11.736
 1306    HZ2  LYS  22           HZ2      LYS  22  13.426 -13.891 -10.868
 1307    HZ3  LYS  22           HZ3      LYS  22  14.653 -12.732 -11.030
 1308    H    GLU  23           H        GLU  23  15.485 -14.828  -4.492
 1309    HA   GLU  23           HA       GLU  23  17.564 -16.895  -4.317
 1310    HB2  GLU  23           HB2      GLU  23  17.388 -14.140  -3.087
 1311    HB3  GLU  23           HB3      GLU  23  18.720 -15.258  -2.836
 1312    HG2  GLU  23           HG2      GLU  23  17.884 -14.125  -5.498
 1313    HG3  GLU  23           HG3      GLU  23  19.222 -13.537  -4.510
 1314    H    GLY  24           H        GLY  24  14.991 -15.353  -2.468
 1315    HA2  GLY  24           HA2      GLY  24  15.609 -17.144  -0.202
 1316    HA3  GLY  24           HA3      GLY  24  14.699 -15.645  -0.087
 1317    H    ASP  25           H        ASP  25  12.896 -16.486   0.849
 1318    HA   ASP  25           HA       ASP  25  11.504 -18.721  -0.393
 1319    HB2  ASP  25           HB2      ASP  25  11.630 -18.550   2.076
 1320    HB3  ASP  25           HB3      ASP  25  10.751 -17.025   2.005
 1321    H    LYS  26           H        LYS  26   9.448 -18.557  -1.347
 1322    HA   LYS  26           HA       LYS  26   9.083 -16.209  -2.882
 1323    HB2  LYS  26           HB2      LYS  26   6.961 -17.342  -3.665
 1324    HB3  LYS  26           HB3      LYS  26   8.455 -18.213  -3.934
 1325    HG2  LYS  26           HG2      LYS  26   6.765 -19.756  -3.245
 1326    HG3  LYS  26           HG3      LYS  26   7.953 -19.618  -1.958
 1327    HD2  LYS  26           HD2      LYS  26   5.813 -19.645  -0.933
 1328    HD3  LYS  26           HD3      LYS  26   6.409 -17.990  -0.837
 1329    HE2  LYS  26           HE2      LYS  26   4.045 -18.056  -1.443
 1330    HE3  LYS  26           HE3      LYS  26   5.018 -17.363  -2.737
 1331    HZ1  LYS  26           HZ1      LYS  26   4.866 -19.379  -3.967
 1332    HZ2  LYS  26           HZ2      LYS  26   3.293 -18.973  -3.478
 1333    HZ3  LYS  26           HZ3      LYS  26   4.141 -20.199  -2.674
 1334    H    PHE  27           H        PHE  27   8.211 -16.743   0.265
 1335    HA   PHE  27           HA       PHE  27   6.127 -14.661   0.122
 1336    HB2  PHE  27           HB2      PHE  27   5.699 -17.152   0.968
 1337    HB3  PHE  27           HB3      PHE  27   6.430 -16.539   2.444
 1338    HD1  PHE  27           HD2      PHE  27   5.374 -14.620   3.606
 1339    HD2  PHE  27           HD1      PHE  27   3.521 -16.669   0.394
 1340    HE1  PHE  27           HE2      PHE  27   3.198 -13.698   4.297
 1341    HE2  PHE  27           HE1      PHE  27   1.325 -15.760   1.065
 1342    HZ   PHE  27           HZ       PHE  27   1.167 -14.268   3.023
 1343    H    LYS  28           H        LYS  28   9.251 -14.860   0.564
 1344    HA   LYS  28           HA       LYS  28   9.211 -12.916   2.749
 1345    HB2  LYS  28           HB2      LYS  28   9.802 -15.254   3.581
 1346    HB3  LYS  28           HB3      LYS  28  11.273 -15.112   2.628
 1347    HG2  LYS  28           HG2      LYS  28  11.869 -14.516   4.814
 1348    HG3  LYS  28           HG3      LYS  28  11.751 -12.995   3.925
 1349    HD2  LYS  28           HD2      LYS  28  10.680 -12.682   6.037
 1350    HD3  LYS  28           HD3      LYS  28   9.417 -12.760   4.810
 1351    HE2  LYS  28           HE2      LYS  28   9.051 -15.133   5.366
 1352    HE3  LYS  28           HE3      LYS  28  10.274 -15.006   6.631
 1353    HZ1  LYS  28           HZ1      LYS  28   8.870 -13.235   7.643
 1354    HZ2  LYS  28           HZ2      LYS  28   8.153 -14.771   7.638
 1355    HZ3  LYS  28           HZ3      LYS  28   7.661 -13.604   6.509
 1356    H    LEU  29           H        LEU  29  10.115 -11.120   1.997
 1357    HA   LEU  29           HA       LEU  29  12.252 -11.378   0.007
 1358    HB2  LEU  29           HB2      LEU  29  10.493  -9.051   0.743
 1359    HB3  LEU  29           HB3      LEU  29  11.939  -8.861  -0.231
 1360    HG   LEU  29           HG       LEU  29  10.801 -10.713  -1.717
 1361   HD11  LEU  29          HD11      LEU  29   8.356 -10.396  -1.763
 1362   HD12  LEU  29          HD12      LEU  29   8.936 -11.171  -0.286
 1363   HD13  LEU  29          HD13      LEU  29   8.491  -9.470  -0.272
 1364   HD21  LEU  29          HD21      LEU  29   9.783  -8.942  -3.056
 1365   HD22  LEU  29          HD22      LEU  29   9.920  -7.831  -1.692
 1366   HD23  LEU  29          HD23      LEU  29  11.374  -8.470  -2.460
 1367    H    ASN  30           H        ASN  30  14.157 -11.582   0.982
 1368    HA   ASN  30           HA       ASN  30  14.868  -9.927   3.244
 1369    HB2  ASN  30           HB2      ASN  30  16.992 -11.006   3.194
 1370    HB3  ASN  30           HB3      ASN  30  15.816 -12.255   2.803
 1371   HD21  ASN  30          HD21      ASN  30  15.713 -13.055   0.707
 1372   HD22  ASN  30          HD22      ASN  30  16.993 -12.787  -0.427
 1373    H    LYS  31           H        LYS  31  17.361  -8.958   2.663
 1374    HA   LYS  31           HA       LYS  31  16.839  -6.545   1.442
 1375    HB2  LYS  31           HB2      LYS  31  19.526  -7.929   1.522
 1376    HB3  LYS  31           HB3      LYS  31  19.258  -6.208   1.290
 1377    HG2  LYS  31           HG2      LYS  31  18.147  -6.222   3.564
 1378    HG3  LYS  31           HG3      LYS  31  18.815  -7.841   3.764
 1379    HD2  LYS  31           HD2      LYS  31  20.353  -5.291   3.283
 1380    HD3  LYS  31           HD3      LYS  31  20.296  -6.231   4.773
 1381    HE2  LYS  31           HE2      LYS  31  21.383  -7.237   2.150
 1382    HE3  LYS  31           HE3      LYS  31  22.365  -6.586   3.460
 1383    HZ1  LYS  31           HZ1      LYS  31  22.319  -8.992   3.509
 1384    HZ2  LYS  31           HZ2      LYS  31  20.628  -8.991   3.630
 1385    HZ3  LYS  31           HZ3      LYS  31  21.569  -8.362   4.891
 1386    H    SER  32           H        SER  32  18.302  -9.430   0.014
 1387    HA   SER  32           HA       SER  32  18.958  -8.375  -2.490
 1388    HB2  SER  32           HB2      SER  32  19.946 -10.431  -1.923
 1389    HB3  SER  32           HB3      SER  32  18.400 -11.163  -1.502
 1390    HG   SER  32           HG       SER  32  17.947 -11.502  -3.579
 1391    H    GLU  33           H        GLU  33  15.925  -9.808  -1.365
 1392    HA   GLU  33           HA       GLU  33  14.888 -10.115  -4.020
 1393    HB2  GLU  33           HB2      GLU  33  13.274 -10.183  -1.477
 1394    HB3  GLU  33           HB3      GLU  33  12.931 -10.991  -3.000
 1395    HG2  GLU  33           HG2      GLU  33  15.102 -11.659  -1.031
 1396    HG3  GLU  33           HG3      GLU  33  13.673 -12.614  -1.412
 1397    H    LEU  34           H        LEU  34  14.269  -7.923  -1.312
 1398    HA   LEU  34           HA       LEU  34  12.383  -6.292  -2.636
 1399    HB2  LEU  34           HB2      LEU  34  14.209  -5.909  -0.296
 1400    HB3  LEU  34           HB3      LEU  34  13.331  -4.546  -0.953
 1401    HG   LEU  34           HG       LEU  34  11.943  -7.053  -0.032
 1402   HD11  LEU  34          HD11      LEU  34  11.449  -5.809   2.021
 1403   HD12  LEU  34          HD12      LEU  34  13.179  -6.099   1.836
 1404   HD13  LEU  34          HD13      LEU  34  12.510  -4.506   1.482
 1405   HD21  LEU  34          HD21      LEU  34  10.001  -5.599  -0.002
 1406   HD22  LEU  34          HD22      LEU  34  10.996  -4.221  -0.494
 1407   HD23  LEU  34          HD23      LEU  34  10.748  -5.573  -1.601
 1408    H    LYS  35           H        LYS  35  15.870  -6.255  -2.424
 1409    HA   LYS  35           HA       LYS  35  16.542  -3.893  -3.615
 1410    HB2  LYS  35           HB2      LYS  35  18.130  -5.539  -2.703
 1411    HB3  LYS  35           HB3      LYS  35  17.819  -6.587  -4.075
 1412    HG2  LYS  35           HG2      LYS  35  18.855  -5.091  -5.577
 1413    HG3  LYS  35           HG3      LYS  35  18.927  -3.812  -4.348
 1414    HD2  LYS  35           HD2      LYS  35  20.355  -5.373  -2.974
 1415    HD3  LYS  35           HD3      LYS  35  20.450  -6.413  -4.396
 1416    HE2  LYS  35           HE2      LYS  35  21.503  -4.651  -5.658
 1417    HE3  LYS  35           HE3      LYS  35  21.295  -3.523  -4.317
 1418    HZ1  LYS  35           HZ1      LYS  35  22.745  -4.951  -2.976
 1419    HZ2  LYS  35           HZ2      LYS  35  23.537  -4.358  -4.353
 1420    HZ3  LYS  35           HZ3      LYS  35  22.990  -5.961  -4.316
 1421    H    GLU  36           H        GLU  36  16.191  -6.970  -5.379
 1422    HA   GLU  36           HA       GLU  36  16.317  -5.748  -7.911
 1423    HB2  GLU  36           HB2      GLU  36  16.597  -8.239  -7.268
 1424    HB3  GLU  36           HB3      GLU  36  14.845  -8.304  -7.422
 1425    HG2  GLU  36           HG2      GLU  36  14.965  -7.581  -9.696
 1426    HG3  GLU  36           HG3      GLU  36  16.701  -7.353  -9.583
 1427    H    LEU  37           H        LEU  37  13.649  -6.619  -5.807
 1428    HA   LEU  37           HA       LEU  37  11.425  -6.138  -7.341
 1429    HB2  LEU  37           HB2      LEU  37  11.601  -6.789  -4.874
 1430    HB3  LEU  37           HB3      LEU  37  11.745  -5.072  -4.541
 1431    HG   LEU  37           HG       LEU  37   9.481  -5.055  -5.996
 1432   HD11  LEU  37          HD11      LEU  37   9.484  -7.476  -6.291
 1433   HD12  LEU  37          HD12      LEU  37   9.486  -7.696  -4.539
 1434   HD13  LEU  37          HD13      LEU  37   8.100  -6.949  -5.333
 1435   HD21  LEU  37          HD21      LEU  37   8.286  -4.949  -3.870
 1436   HD22  LEU  37          HD22      LEU  37   9.682  -5.645  -3.044
 1437   HD23  LEU  37          HD23      LEU  37   9.802  -4.051  -3.793
 1438    H    LEU  38           H        LEU  38  13.083  -3.711  -5.336
 1439    HA   LEU  38           HA       LEU  38  11.591  -1.545  -6.403
 1440    HB2  LEU  38           HB2      LEU  38  13.987  -1.746  -4.627
 1441    HB3  LEU  38           HB3      LEU  38  13.454  -0.187  -5.234
 1442    HG   LEU  38           HG       LEU  38  11.149  -1.382  -4.190
 1443   HD11  LEU  38          HD11      LEU  38  13.495  -1.783  -2.347
 1444   HD12  LEU  38          HD12      LEU  38  11.794  -1.928  -1.898
 1445   HD13  LEU  38          HD13      LEU  38  12.497  -3.048  -3.067
 1446   HD21  LEU  38          HD21      LEU  38  11.335   0.390  -2.511
 1447   HD22  LEU  38          HD22      LEU  38  13.013   0.664  -2.984
 1448   HD23  LEU  38          HD23      LEU  38  11.709   0.985  -4.129
 1449    H    THR  39           H        THR  39  14.807  -2.866  -7.167
 1450    HA   THR  39           HA       THR  39  15.676  -0.679  -8.715
 1451    HB   THR  39           HB       THR  39  17.245  -2.232  -9.815
 1452    HG1  THR  39           HG1      THR  39  15.470  -4.106  -8.798
 1453   HG21  THR  39          HG21      THR  39  17.781  -1.312  -7.609
 1454   HG22  THR  39          HG22      THR  39  18.454  -2.928  -7.826
 1455   HG23  THR  39          HG23      THR  39  17.002  -2.705  -6.851
 1456    H    ARG  40           H        ARG  40  13.577  -3.347  -9.456
 1457    HA   ARG  40           HA       ARG  40  13.651  -2.783 -12.305
 1458    HB2  ARG  40           HB2      ARG  40  12.320  -4.922 -10.657
 1459    HB3  ARG  40           HB3      ARG  40  12.111  -4.783 -12.400
 1460    HG2  ARG  40           HG2      ARG  40  14.751  -5.157 -10.998
 1461    HG3  ARG  40           HG3      ARG  40  13.811  -6.445 -11.751
 1462    HD2  ARG  40           HD2      ARG  40  14.826  -4.009 -13.203
 1463    HD3  ARG  40           HD3      ARG  40  15.652  -5.567 -13.177
 1464    HE   ARG  40           HE       ARG  40  13.419  -6.418 -14.130
 1465   HH11  ARG  40          HH12      ARG  40  14.771  -3.255 -14.812
 1466   HH12  ARG  40          HH11      ARG  40  14.091  -3.170 -16.407
 1467   HH21  ARG  40          HH22      ARG  40  12.497  -6.293 -16.216
 1468   HH22  ARG  40          HH21      ARG  40  12.766  -4.877 -17.193
 1469    H    GLU  41           H        GLU  41  11.108  -3.107  -9.810
 1470    HA   GLU  41           HA       GLU  41   9.321  -1.738 -11.670
 1471    HB2  GLU  41           HB2      GLU  41   8.882  -3.780  -9.562
 1472    HB3  GLU  41           HB3      GLU  41   7.563  -2.686  -9.959
 1473    HG2  GLU  41           HG2      GLU  41   7.461  -3.414 -12.183
 1474    HG3  GLU  41           HG3      GLU  41   9.049  -4.184 -12.084
 1475    H    LEU  42           H        LEU  42  11.056  -0.977  -8.886
 1476    HA   LEU  42           HA       LEU  42   9.269   1.347  -8.527
 1477    HB2  LEU  42           HB2      LEU  42  10.885  -0.005  -6.362
 1478    HB3  LEU  42           HB3      LEU  42   9.975   1.478  -6.165
 1479    HG   LEU  42           HG       LEU  42   7.939   0.007  -6.877
 1480   HD11  LEU  42          HD11      LEU  42   9.204  -1.954  -7.503
 1481   HD12  LEU  42          HD12      LEU  42   9.875  -2.062  -5.872
 1482   HD13  LEU  42          HD13      LEU  42   8.145  -2.305  -6.132
 1483   HD21  LEU  42          HD21      LEU  42   9.262  -0.235  -4.180
 1484   HD22  LEU  42          HD22      LEU  42   8.196   1.067  -4.708
 1485   HD23  LEU  42          HD23      LEU  42   7.564  -0.570  -4.528
 1486    HA   PRO  43           HA       PRO  43  13.936   2.083  -9.254
 1487    HB2  PRO  43           HB2      PRO  43  13.993   3.019 -11.792
 1488    HB3  PRO  43           HB3      PRO  43  14.070   1.299 -11.402
 1489    HG2  PRO  43           HG2      PRO  43  11.768   2.923 -12.370
 1490    HG3  PRO  43           HG3      PRO  43  12.215   1.256 -12.772
 1491    HD2  PRO  43           HD2      PRO  43  10.243   1.954 -10.983
 1492    HD3  PRO  43           HD3      PRO  43  11.104   0.404 -10.960
 1493    H    SER  44           H        SER  44  11.141   4.025  -9.936
 1494    HA   SER  44           HA       SER  44  12.531   6.524 -10.011
 1495    HB2  SER  44           HB2      SER  44  10.187   7.464  -9.772
 1496    HB3  SER  44           HB3      SER  44  10.439   6.408 -11.163
 1497    HG   SER  44           HG       SER  44   9.126   4.963 -10.329
 1498    H    PHE  45           H        PHE  45  11.264   4.472  -7.542
 1499    HA   PHE  45           HA       PHE  45  11.119   6.584  -5.552
 1500    HB2  PHE  45           HB2      PHE  45  10.634   3.618  -5.229
 1501    HB3  PHE  45           HB3      PHE  45  10.205   4.884  -4.090
 1502    HD1  PHE  45           HD1      PHE  45   8.387   6.466  -4.653
 1503    HD2  PHE  45           HD2      PHE  45   9.242   3.041  -7.020
 1504    HE1  PHE  45           HE1      PHE  45   6.141   6.590  -5.626
 1505    HE2  PHE  45           HE2      PHE  45   7.000   3.163  -8.017
 1506    HZ   PHE  45           HZ       PHE  45   5.444   4.928  -7.322
 1507    H    LEU  46           H        LEU  46  13.843   5.634  -6.624
 1508    HA   LEU  46           HA       LEU  46  14.749   4.298  -4.177
 1509    HB2  LEU  46           HB2      LEU  46  16.095   4.462  -6.861
 1510    HB3  LEU  46           HB3      LEU  46  16.784   3.686  -5.446
 1511    HG   LEU  46           HG       LEU  46  14.476   2.819  -7.140
 1512   HD11  LEU  46          HD11      LEU  46  16.853   1.382  -5.976
 1513   HD12  LEU  46          HD12      LEU  46  15.622   0.662  -7.014
 1514   HD13  LEU  46          HD13      LEU  46  16.672   1.932  -7.642
 1515   HD21  LEU  46          HD21      LEU  46  14.927   2.025  -4.259
 1516   HD22  LEU  46          HD22      LEU  46  13.521   2.837  -4.939
 1517   HD23  LEU  46          HD23      LEU  46  13.869   1.169  -5.382
 1518    H    GLY  47           H        GLY  47  14.998   7.289  -5.809
 1519    HA2  GLY  47           HA2      GLY  47  15.883   9.290  -5.117
 1520    HA3  GLY  47           HA3      GLY  47  16.239   8.533  -3.577
 1521    H    LYS  48           H        LYS  48  17.962   6.538  -4.575
 1522    HA   LYS  48           HA       LYS  48  20.044   7.879  -6.126
 1523    HB2  LYS  48           HB2      LYS  48  20.751   8.236  -3.820
 1524    HB3  LYS  48           HB3      LYS  48  20.504   6.536  -3.446
 1525    HG2  LYS  48           HG2      LYS  48  22.260   6.097  -5.275
 1526    HG3  LYS  48           HG3      LYS  48  22.655   7.808  -5.093
 1527    HD2  LYS  48           HD2      LYS  48  23.098   7.465  -2.722
 1528    HD3  LYS  48           HD3      LYS  48  22.661   5.762  -2.874
 1529    HE2  LYS  48           HE2      LYS  48  24.960   7.142  -4.258
 1530    HE3  LYS  48           HE3      LYS  48  25.083   6.056  -2.876
 1531    HZ1  LYS  48           HZ1      LYS  48  24.270   4.245  -4.226
 1532    HZ2  LYS  48           HZ2      LYS  48  25.598   4.968  -4.996
 1533    HZ3  LYS  48           HZ3      LYS  48  24.030   5.285  -5.548
 1534    H    ARG  49           H        ARG  49  19.981   4.919  -4.224
 1535    HA   ARG  49           HA       ARG  49  19.271   3.077  -6.169
 1536    HB2  ARG  49           HB2      ARG  49  21.411   3.963  -7.244
 1537    HB3  ARG  49           HB3      ARG  49  22.280   3.236  -5.899
 1538    HG2  ARG  49           HG2      ARG  49  22.195   1.863  -7.993
 1539    HG3  ARG  49           HG3      ARG  49  21.614   1.049  -6.535
 1540    HD2  ARG  49           HD2      ARG  49  19.350   1.384  -7.152
 1541    HD3  ARG  49           HD3      ARG  49  19.797   2.468  -8.465
 1542    HE   ARG  49           HE       ARG  49  20.780  -0.258  -8.660
 1543   HH11  ARG  49          HH12      ARG  49  18.342   2.083  -9.562
 1544   HH12  ARG  49          HH11      ARG  49  17.782   1.173 -10.939
 1545   HH21  ARG  49          HH22      ARG  49  20.063  -1.463 -10.466
 1546   HH22  ARG  49          HH21      ARG  49  18.771  -0.845 -11.452
 1547    H    THR  50           H        THR  50  19.171   1.036  -5.252
 1548    HA   THR  50           HA       THR  50  19.771   0.861  -2.448
 1549    HB   THR  50           HB       THR  50  18.837  -1.469  -2.722
 1550    HG1  THR  50           HG1      THR  50  19.339  -1.696  -4.962
 1551   HG21  THR  50          HG21      THR  50  17.136   0.814  -3.740
 1552   HG22  THR  50          HG22      THR  50  17.417   0.410  -2.046
 1553   HG23  THR  50          HG23      THR  50  16.531  -0.707  -3.084
 1554    H    ASP  51           H        ASP  51  21.947   0.826  -2.153
 1555    HA   ASP  51           HA       ASP  51  23.524  -1.219  -3.549
 1556    HB2  ASP  51           HB2      ASP  51  24.472   1.109  -1.855
 1557    HB3  ASP  51           HB3      ASP  51  25.498   0.004  -2.759
 1558    H    GLU  52           H        GLU  52  25.516  -1.761  -1.878
 1559    HA   GLU  52           HA       GLU  52  24.440  -3.595  -0.061
 1560    HB2  GLU  52           HB2      GLU  52  27.187  -2.472  -0.496
 1561    HB3  GLU  52           HB3      GLU  52  26.879  -3.529   0.871
 1562    HG2  GLU  52           HG2      GLU  52  27.804  -4.702  -1.086
 1563    HG3  GLU  52           HG3      GLU  52  26.236  -5.322  -0.580
 1564    H    ALA  53           H        ALA  53  26.231  -0.576   0.686
 1565    HA   ALA  53           HA       ALA  53  25.546  -0.673   3.455
 1566    HB1  ALA  53           HB1      ALA  53  27.570   0.447   2.700
 1567    HB2  ALA  53           HB2      ALA  53  26.601   1.633   1.825
 1568    HB3  ALA  53           HB3      ALA  53  26.527   1.563   3.587
 1569    H    ALA  54           H        ALA  54  23.813   0.274   0.725
 1570    HA   ALA  54           HA       ALA  54  22.149   2.212   2.061
 1571    HB1  ALA  54           HB1      ALA  54  22.550   2.382  -0.345
 1572    HB2  ALA  54           HB2      ALA  54  21.774   0.817  -0.589
 1573    HB3  ALA  54           HB3      ALA  54  20.830   2.186  -0.001
 1574    H    PHE  55           H        PHE  55  21.938  -1.180   1.082
 1575    HA   PHE  55           HA       PHE  55  19.210  -1.389   1.939
 1576    HB2  PHE  55           HB2      PHE  55  20.855  -2.868   0.243
 1577    HB3  PHE  55           HB3      PHE  55  20.484  -3.952   1.586
 1578    HD1  PHE  55           HD1      PHE  55  18.042  -4.206   2.262
 1579    HD2  PHE  55           HD2      PHE  55  19.290  -2.469  -1.409
 1580    HE1  PHE  55           HE1      PHE  55  15.795  -4.576   1.334
 1581    HE2  PHE  55           HE2      PHE  55  17.051  -2.832  -2.344
 1582    HZ   PHE  55           HZ       PHE  55  15.297  -3.891  -0.976
 1583    H    GLN  56           H        GLN  56  22.270  -1.829   3.471
 1584    HA   GLN  56           HA       GLN  56  21.485  -3.556   5.549
 1585    HB2  GLN  56           HB2      GLN  56  23.357  -2.678   6.815
 1586    HB3  GLN  56           HB3      GLN  56  23.841  -2.869   5.135
 1587    HG2  GLN  56           HG2      GLN  56  23.522  -0.480   4.768
 1588    HG3  GLN  56           HG3      GLN  56  23.032  -0.286   6.449
 1589   HE21  GLN  56          HE21      GLN  56  25.576  -2.452   5.456
 1590   HE22  GLN  56          HE22      GLN  56  26.881  -1.541   6.141
 1591    H    LYS  57           H        LYS  57  21.016  -0.152   4.985
 1592    HA   LYS  57           HA       LYS  57  19.651   0.249   7.507
 1593    HB2  LYS  57           HB2      LYS  57  20.029   2.044   5.102
 1594    HB3  LYS  57           HB3      LYS  57  19.174   2.522   6.561
 1595    HG2  LYS  57           HG2      LYS  57  21.201   2.265   7.863
 1596    HG3  LYS  57           HG3      LYS  57  22.069   1.709   6.430
 1597    HD2  LYS  57           HD2      LYS  57  21.727   3.853   5.354
 1598    HD3  LYS  57           HD3      LYS  57  20.764   4.427   6.724
 1599    HE2  LYS  57           HE2      LYS  57  23.671   3.594   6.842
 1600    HE3  LYS  57           HE3      LYS  57  23.099   5.260   6.744
 1601    HZ1  LYS  57           HZ1      LYS  57  22.362   3.397   8.940
 1602    HZ2  LYS  57           HZ2      LYS  57  22.077   5.070   8.869
 1603    HZ3  LYS  57           HZ3      LYS  57  23.662   4.481   9.024
 1604    H    LEU  58           H        LEU  58  18.883   0.028   4.057
 1605    HA   LEU  58           HA       LEU  58  16.229   0.784   4.161
 1606    HB2  LEU  58           HB2      LEU  58  17.497   0.508   2.082
 1607    HB3  LEU  58           HB3      LEU  58  17.464  -1.234   2.296
 1608    HG   LEU  58           HG       LEU  58  15.045  -1.257   2.046
 1609   HD11  LEU  58          HD11      LEU  58  13.767   0.695   1.632
 1610   HD12  LEU  58          HD12      LEU  58  14.721   0.991   3.079
 1611   HD13  LEU  58          HD13      LEU  58  15.213   1.704   1.541
 1612   HD21  LEU  58          HD21      LEU  58  16.485  -1.334   0.023
 1613   HD22  LEU  58          HD22      LEU  58  14.875  -0.672  -0.267
 1614   HD23  LEU  58          HD23      LEU  58  16.265   0.408  -0.144
 1615    H    MET  59           H        MET  59  17.354  -2.585   3.987
 1616    HA   MET  59           HA       MET  59  14.913  -3.818   4.419
 1617    HB2  MET  59           HB2      MET  59  16.626  -5.218   3.725
 1618    HB3  MET  59           HB3      MET  59  17.752  -4.605   4.923
 1619    HG2  MET  59           HG2      MET  59  17.092  -6.896   5.387
 1620    HG3  MET  59           HG3      MET  59  16.597  -5.804   6.672
 1621    HE1  MET  59           HE1      MET  59  14.328  -6.040   3.265
 1622    HE2  MET  59           HE2      MET  59  15.534  -7.333   3.355
 1623    HE3  MET  59           HE3      MET  59  13.817  -7.710   3.558
 1624    H    SER  60           H        SER  60  17.245  -2.652   6.794
 1625    HA   SER  60           HA       SER  60  15.918  -3.850   9.013
 1626    HB2  SER  60           HB2      SER  60  18.363  -3.330   8.872
 1627    HB3  SER  60           HB3      SER  60  17.958  -1.623   9.031
 1628    HG   SER  60           HG       SER  60  18.110  -2.033  11.087
 1629    H    ASN  61           H        ASN  61  15.330  -1.045   7.185
 1630    HA   ASN  61           HA       ASN  61  13.962   0.309   9.372
 1631    HB2  ASN  61           HB2      ASN  61  14.786   1.109   6.638
 1632    HB3  ASN  61           HB3      ASN  61  13.393   1.914   7.358
 1633   HD21  ASN  61          HD21      ASN  61  16.819   1.363   7.592
 1634   HD22  ASN  61          HD22      ASN  61  17.149   2.635   8.727
 1635    H    LEU  62           H        LEU  62  13.325  -1.781   6.719
 1636    HA   LEU  62           HA       LEU  62  10.459  -1.394   6.965
 1637    HB2  LEU  62           HB2      LEU  62  12.211  -3.194   5.337
 1638    HB3  LEU  62           HB3      LEU  62  10.525  -3.609   5.564
 1639    HG   LEU  62           HG       LEU  62  10.656  -2.506   3.501
 1640   HD11  LEU  62          HD11      LEU  62   8.755  -1.819   4.819
 1641   HD12  LEU  62          HD12      LEU  62   9.711  -0.531   5.571
 1642   HD13  LEU  62          HD13      LEU  62   9.331  -0.466   3.847
 1643   HD21  LEU  62          HD21      LEU  62  12.247  -0.349   4.863
 1644   HD22  LEU  62          HD22      LEU  62  12.836  -1.513   3.675
 1645   HD23  LEU  62          HD23      LEU  62  11.662  -0.285   3.199
 1646    H    ASP  63           H        ASP  63  12.683  -4.114   7.382
 1647    HA   ASP  63           HA       ASP  63  10.876  -5.753   8.778
 1648    HB2  ASP  63           HB2      ASP  63  12.893  -6.549   7.564
 1649    HB3  ASP  63           HB3      ASP  63  13.901  -5.816   8.804
 1650    H    SER  64           H        SER  64   9.993  -5.169  10.651
 1651    HA   SER  64           HA       SER  64  11.353  -3.527  12.568
 1652    HB2  SER  64           HB2      SER  64   8.871  -3.531  12.203
 1653    HB3  SER  64           HB3      SER  64   8.815  -5.134  12.933
 1654    HG   SER  64           HG       SER  64   8.359  -3.479  14.445
 1655    H    ASN  65           H        ASN  65  11.146  -6.879  11.928
 1656    HA   ASN  65           HA       ASN  65  11.883  -7.757  14.581
 1657    HB2  ASN  65           HB2      ASN  65  10.536  -9.195  13.134
 1658    HB3  ASN  65           HB3      ASN  65  11.796  -9.186  11.911
 1659   HD21  ASN  65          HD21      ASN  65  12.116 -11.334  11.861
 1660   HD22  ASN  65          HD22      ASN  65  12.781 -12.247  13.176
 1661    H    ARG  66           H        ARG  66  13.406  -6.635  11.746
 1662    HA   ARG  66           HA       ARG  66  15.539  -6.371  11.055
 1663    HB2  ARG  66           HB2      ARG  66  16.004  -6.336  14.036
 1664    HB3  ARG  66           HB3      ARG  66  17.221  -5.897  12.845
 1665    HG2  ARG  66           HG2      ARG  66  15.726  -4.106  12.032
 1666    HG3  ARG  66           HG3      ARG  66  14.587  -4.514  13.318
 1667    HD2  ARG  66           HD2      ARG  66  16.268  -3.996  14.994
 1668    HD3  ARG  66           HD3      ARG  66  17.446  -3.651  13.730
 1669    HE   ARG  66           HE       ARG  66  14.990  -2.073  13.742
 1670   HH11  ARG  66          HH12      ARG  66  18.402  -2.289  14.521
 1671   HH12  ARG  66          HH11      ARG  66  18.618  -0.560  14.605
 1672   HH21  ARG  66          HH22      ARG  66  15.274   0.200  13.864
 1673   HH22  ARG  66          HH21      ARG  66  16.836   0.848  14.262
 1674    H    ASP  67           H        ASP  67  15.047  -8.740  10.419
 1675    HA   ASP  67           HA       ASP  67  17.395 -10.300  11.305
 1676    HB2  ASP  67           HB2      ASP  67  15.165 -11.228  12.133
 1677    HB3  ASP  67           HB3      ASP  67  14.768 -11.538  10.444
 1678    H    ASN  68           H        ASN  68  16.312  -8.450   9.048
 1679    HA   ASN  68           HA       ASN  68  16.799  -8.072   6.874
 1680    HB2  ASN  68           HB2      ASN  68  18.549 -10.506   7.214
 1681    HB3  ASN  68           HB3      ASN  68  18.455  -9.590   5.716
 1682   HD21  ASN  68          HD21      ASN  68  18.125  -7.056   7.248
 1683   HD22  ASN  68          HD22      ASN  68  19.712  -6.667   7.817
 1684    H    GLU  69           H        GLU  69  14.419  -9.289   7.452
 1685    HA   GLU  69           HA       GLU  69  13.841 -10.361   4.852
 1686    HB2  GLU  69           HB2      GLU  69  12.633 -12.375   5.770
 1687    HB3  GLU  69           HB3      GLU  69  14.387 -12.462   5.858
 1688    HG2  GLU  69           HG2      GLU  69  14.403 -12.131   8.171
 1689    HG3  GLU  69           HG3      GLU  69  12.742 -11.541   8.187
 1690    H    VAL  70           H        VAL  70  12.017  -9.472   4.209
 1691    HA   VAL  70           HA       VAL  70  10.446  -8.037   6.175
 1692    HB   VAL  70           HB       VAL  70  10.831  -7.840   3.238
 1693   HG11  VAL  70          HG11      VAL  70   8.898  -6.369   2.981
 1694   HG12  VAL  70          HG12      VAL  70   8.398  -8.009   3.399
 1695   HG13  VAL  70          HG13      VAL  70   8.391  -6.744   4.629
 1696   HG21  VAL  70          HG21      VAL  70  11.029  -5.473   3.803
 1697   HG22  VAL  70          HG22      VAL  70  10.580  -5.835   5.472
 1698   HG23  VAL  70          HG23      VAL  70  12.089  -6.464   4.807
 1699    H    ASP  71           H        ASP  71   8.646  -8.648   6.962
 1700    HA   ASP  71           HA       ASP  71   7.246 -11.014   6.213
 1701    HB2  ASP  71           HB2      ASP  71   7.335 -10.350   8.529
 1702    HB3  ASP  71           HB3      ASP  71   6.690  -8.756   8.155
 1703    H    PHE  72           H        PHE  72   4.738 -10.882   5.908
 1704    HA   PHE  72           HA       PHE  72   4.383  -9.608   3.420
 1705    HB2  PHE  72           HB2      PHE  72   3.240 -11.731   4.284
 1706    HB3  PHE  72           HB3      PHE  72   2.118 -10.652   5.101
 1707    HD1  PHE  72           HD2      PHE  72   3.294  -9.314   1.996
 1708    HD2  PHE  72           HD1      PHE  72   0.443 -11.968   3.712
 1709    HE1  PHE  72           HE2      PHE  72   1.958  -9.192  -0.058
 1710    HE2  PHE  72           HE1      PHE  72  -0.896 -11.855   1.654
 1711    HZ   PHE  72           HZ       PHE  72  -0.142 -10.466  -0.233
 1712    H    GLN  73           H        GLN  73   3.121  -8.782   6.681
 1713    HA   GLN  73           HA       GLN  73   1.702  -6.498   5.689
 1714    HB2  GLN  73           HB2      GLN  73   1.501  -7.721   8.049
 1715    HB3  GLN  73           HB3      GLN  73   2.691  -6.513   8.512
 1716    HG2  GLN  73           HG2      GLN  73   1.139  -4.775   7.580
 1717    HG3  GLN  73           HG3      GLN  73  -0.078  -6.046   7.482
 1718   HE21  GLN  73          HE21      GLN  73   2.351  -5.801   9.979
 1719   HE22  GLN  73          HE22      GLN  73   1.262  -5.441  11.274
 1720    H    GLU  74           H        GLU  74   4.926  -7.131   6.886
 1721    HA   GLU  74           HA       GLU  74   5.890  -4.495   7.054
 1722    HB2  GLU  74           HB2      GLU  74   6.925  -6.966   7.545
 1723    HB3  GLU  74           HB3      GLU  74   7.750  -6.560   6.046
 1724    HG2  GLU  74           HG2      GLU  74   9.197  -5.826   7.692
 1725    HG3  GLU  74           HG3      GLU  74   8.349  -4.353   7.203
 1726    H    TYR  75           H        TYR  75   5.648  -6.797   4.443
 1727    HA   TYR  75           HA       TYR  75   6.997  -5.395   2.427
 1728    HB2  TYR  75           HB2      TYR  75   6.373  -7.795   2.351
 1729    HB3  TYR  75           HB3      TYR  75   4.679  -7.341   2.198
 1730    HD1  TYR  75           HD1      TYR  75   4.165  -5.770   0.121
 1731    HD2  TYR  75           HD2      TYR  75   7.559  -8.308   0.495
 1732    HE1  TYR  75           HE1      TYR  75   4.422  -5.737  -2.322
 1733    HE2  TYR  75           HE2      TYR  75   7.843  -8.259  -1.967
 1734    HH   TYR  75           HH       TYR  75   6.202  -6.088  -3.985
 1735    H    CYS  76           H        CYS  76   3.689  -5.251   3.589
 1736    HA   CYS  76           HA       CYS  76   2.930  -3.582   1.359
 1737    HB2  CYS  76           HB2      CYS  76   1.266  -4.593   3.664
 1738    HB3  CYS  76           HB3      CYS  76   0.655  -3.864   2.178
 1739    HG   CYS  76           HG       CYS  76   2.220  -6.894   2.495
 1740    H    VAL  77           H        VAL  77   3.448  -3.244   4.857
 1741    HA   VAL  77           HA       VAL  77   2.565  -0.544   4.992
 1742    HB   VAL  77           HB       VAL  77   2.944  -1.812   7.047
 1743   HG11  VAL  77          HG11      VAL  77   5.775  -1.880   6.078
 1744   HG12  VAL  77          HG12      VAL  77   5.317  -2.218   7.759
 1745   HG13  VAL  77          HG13      VAL  77   4.701  -3.232   6.451
 1746   HG21  VAL  77          HG21      VAL  77   3.179   0.631   7.204
 1747   HG22  VAL  77          HG22      VAL  77   4.238  -0.199   8.345
 1748   HG23  VAL  77          HG23      VAL  77   4.909   0.482   6.862
 1749    H    PHE  78           H        PHE  78   5.567  -2.123   4.134
 1750    HA   PHE  78           HA       PHE  78   7.240  -0.052   3.482
 1751    HB2  PHE  78           HB2      PHE  78   8.043  -2.225   3.112
 1752    HB3  PHE  78           HB3      PHE  78   6.613  -2.706   2.217
 1753    HD1  PHE  78           HD1      PHE  78   6.385  -2.172  -0.150
 1754    HD2  PHE  78           HD2      PHE  78   9.883  -1.133   2.045
 1755    HE1  PHE  78           HE1      PHE  78   7.609  -1.849  -2.260
 1756    HE2  PHE  78           HE2      PHE  78  11.106  -0.803  -0.058
 1757    HZ   PHE  78           HZ       PHE  78   9.978  -1.159  -2.210
 1758    H    LEU  79           H        LEU  79   4.565  -1.386   1.615
 1759    HA   LEU  79           HA       LEU  79   4.852   0.315  -0.590
 1760    HB2  LEU  79           HB2      LEU  79   2.813  -1.595   0.372
 1761    HB3  LEU  79           HB3      LEU  79   2.312  -0.430  -0.839
 1762    HG   LEU  79           HG       LEU  79   4.793  -1.636  -1.636
 1763   HD11  LEU  79          HD11      LEU  79   4.064  -3.502  -0.234
 1764   HD12  LEU  79          HD12      LEU  79   2.520  -3.532  -1.084
 1765   HD13  LEU  79          HD13      LEU  79   4.012  -3.911  -1.946
 1766   HD21  LEU  79          HD21      LEU  79   2.826  -0.471  -2.851
 1767   HD22  LEU  79          HD22      LEU  79   3.701  -1.805  -3.652
 1768   HD23  LEU  79          HD23      LEU  79   2.126  -2.098  -2.886
 1769    H    SER  80           H        SER  80   2.416   0.315   1.965
 1770    HA   SER  80           HA       SER  80   1.118   2.647   1.159
 1771    HB2  SER  80           HB2      SER  80   0.506   2.689   3.704
 1772    HB3  SER  80           HB3      SER  80  -0.075   1.398   2.652
 1773    HG   SER  80           HG       SER  80   1.375   0.016   3.509
 1774    H    CYS  81           H        CYS  81   3.956   2.147   3.129
 1775    HA   CYS  81           HA       CYS  81   4.365   4.745   4.017
 1776    HB2  CYS  81           HB2      CYS  81   5.990   3.446   4.887
 1777    HB3  CYS  81           HB3      CYS  81   6.076   2.407   3.465
 1778    HG   CYS  81           HG       CYS  81   7.951   3.711   2.163
 1779    H    ILE  82           H        ILE  82   5.464   3.196   1.003
 1780    HA   ILE  82           HA       ILE  82   6.839   5.410   0.024
 1781    HB   ILE  82           HB       ILE  82   5.452   3.364  -1.717
 1782   HG12  ILE  82          HG12      ILE  82   7.955   3.208  -0.058
 1783   HG13  ILE  82          HG13      ILE  82   6.658   2.028  -0.219
 1784   HG21  ILE  82          HG21      ILE  82   7.984   4.978  -2.087
 1785   HG22  ILE  82          HG22      ILE  82   7.279   3.853  -3.251
 1786   HG23  ILE  82          HG23      ILE  82   6.424   5.341  -2.836
 1787   HD11  ILE  82          HD11      ILE  82   7.460   1.861  -2.669
 1788   HD12  ILE  82          HD12      ILE  82   8.934   2.614  -2.048
 1789   HD13  ILE  82          HD13      ILE  82   8.385   1.063  -1.397
 1790    H    ALA  83           H        ALA  83   3.466   4.473  -0.329
 1791    HA   ALA  83           HA       ALA  83   2.724   6.541  -2.107
 1792    HB1  ALA  83           HB1      ALA  83   1.420   4.478  -1.622
 1793    HB2  ALA  83           HB2      ALA  83   0.978   5.185  -0.069
 1794    HB3  ALA  83           HB3      ALA  83   0.472   5.968  -1.568
 1795    H    MET  84           H        MET  84   2.337   6.252   1.411
 1796    HA   MET  84           HA       MET  84   1.312   8.866   1.830
 1797    HB2  MET  84           HB2      MET  84   0.855   7.128   3.374
 1798    HB3  MET  84           HB3      MET  84   2.563   6.814   3.616
 1799    HG2  MET  84           HG2      MET  84   2.766   9.042   4.684
 1800    HG3  MET  84           HG3      MET  84   1.010   9.210   4.543
 1801    HE1  MET  84           HE1      MET  84   2.006   5.728   4.687
 1802    HE2  MET  84           HE2      MET  84   3.512   6.285   5.477
 1803    HE3  MET  84           HE3      MET  84   2.325   5.286   6.394
 1804    H    MET  85           H        MET  85   4.499   7.584   1.583
 1805    HA   MET  85           HA       MET  85   5.830   9.881   2.635
 1806    HB2  MET  85           HB2      MET  85   6.659   7.466   2.443
 1807    HB3  MET  85           HB3      MET  85   7.032   7.885   0.766
 1808    HG2  MET  85           HG2      MET  85   8.081   9.970   2.192
 1809    HG3  MET  85           HG3      MET  85   8.408   8.584   3.219
 1810    HE1  MET  85           HE1      MET  85  10.356   6.270   1.819
 1811    HE2  MET  85           HE2      MET  85   8.585   6.466   2.001
 1812    HE3  MET  85           HE3      MET  85   9.304   6.185   0.389
 1813    H    CYS  86           H        CYS  86   4.626   8.775  -0.417
 1814    HA   CYS  86           HA       CYS  86   5.852  10.774  -2.062
 1815    HB2  CYS  86           HB2      CYS  86   5.167   8.635  -3.006
 1816    HB3  CYS  86           HB3      CYS  86   3.499   8.925  -2.526
 1817    HG   CYS  86           HG       CYS  86   5.123   9.909  -5.248
 1818    H    ASN  87           H        ASN  87   3.129  10.577  -0.037
 1819    HA   ASN  87           HA       ASN  87   1.183  12.216  -0.927
 1820    HB2  ASN  87           HB2      ASN  87   1.328  11.082   1.298
 1821    HB3  ASN  87           HB3      ASN  87   2.414  12.351   1.837
 1822   HD21  ASN  87          HD21      ASN  87  -0.041  11.589   3.006
 1823   HD22  ASN  87          HD22      ASN  87  -1.096  12.954   2.941
 1824    H    GLU  88           H        GLU  88   4.127  13.311   0.709
 1825    HA   GLU  88           HA       GLU  88   3.507  16.068   0.600
 1826    HB2  GLU  88           HB2      GLU  88   6.176  14.702   0.999
 1827    HB3  GLU  88           HB3      GLU  88   5.804  16.375   1.398
 1828    HG2  GLU  88           HG2      GLU  88   4.177  15.635   3.049
 1829    HG3  GLU  88           HG3      GLU  88   4.508  13.956   2.636
 1830    H    PHE  89           H        PHE  89   5.164  13.909  -1.576
 1831    HA   PHE  89           HA       PHE  89   6.494  16.059  -2.986
 1832    HB2  PHE  89           HB2      PHE  89   6.503  13.069  -3.374
 1833    HB3  PHE  89           HB3      PHE  89   7.421  14.190  -4.377
 1834    HD1  PHE  89           HD1      PHE  89   9.343  15.374  -3.485
 1835    HD2  PHE  89           HD2      PHE  89   7.161  12.601  -1.105
 1836    HE1  PHE  89           HE1      PHE  89  11.190  15.320  -1.863
 1837    HE2  PHE  89           HE2      PHE  89   9.004  12.541   0.523
 1838    HZ   PHE  89           HZ       PHE  89  11.023  13.903   0.146
 1839    H    PHE  90           H        PHE  90   4.151  13.499  -3.842
 1840    HA   PHE  90           HA       PHE  90   3.911  14.467  -6.528
 1841    HB2  PHE  90           HB2      PHE  90   3.623  12.130  -6.190
 1842    HB3  PHE  90           HB3      PHE  90   2.394  12.383  -4.960
 1843    HD1  PHE  90           HD1      PHE  90   3.114  12.493  -8.563
 1844    HD2  PHE  90           HD2      PHE  90   0.107  12.769  -5.567
 1845    HE1  PHE  90           HE1      PHE  90   1.377  12.291 -10.291
 1846    HE2  PHE  90           HE2      PHE  90  -1.635  12.567  -7.291
 1847    HZ   PHE  90           HZ       PHE  90  -1.000  12.326  -9.656
 1848    H    GLU  91           H        GLU  91   1.544  14.257  -3.870
 1849    HA   GLU  91           HA       GLU  91  -0.394  15.798  -5.259
 1850    HB2  GLU  91           HB2      GLU  91  -0.937  14.117  -3.529
 1851    HB3  GLU  91           HB3      GLU  91  -0.219  15.157  -2.312
 1852    HG2  GLU  91           HG2      GLU  91  -2.685  15.273  -2.391
 1853    HG3  GLU  91           HG3      GLU  91  -1.903  16.829  -2.666
 1854    H    GLY  92           H        GLY  92   2.311  16.555  -3.293
 1855    HA2  GLY  92           HA2      GLY  92   3.341  18.621  -3.067
 1856    HA3  GLY  92           HA3      GLY  92   1.968  19.358  -3.881
 1857    H    PHE  93           H        PHE  93   1.012  17.343  -1.388
 1858    HA   PHE  93           HA       PHE  93   0.709  19.624   0.450
 1859    HB2  PHE  93           HB2      PHE  93  -1.402  18.601  -0.477
 1860    HB3  PHE  93           HB3      PHE  93  -0.963  17.099   0.326
 1861    HD1  PHE  93           HD2      PHE  93  -1.685  20.679   0.988
 1862    HD2  PHE  93           HD1      PHE  93  -1.621  16.707   2.514
 1863    HE1  PHE  93           HE2      PHE  93  -2.835  21.444   3.023
 1864    HE2  PHE  93           HE1      PHE  93  -2.775  17.467   4.550
 1865    HZ   PHE  93           HZ       PHE  93  -3.383  19.839   4.806
 1866    HA   PRO  94           HA       PRO  94   3.767  16.839   2.364
 1867    HB2  PRO  94           HB2      PRO  94   4.712  19.298   3.640
 1868    HB3  PRO  94           HB3      PRO  94   5.573  18.193   2.564
 1869    HG2  PRO  94           HG2      PRO  94   4.838  20.663   1.784
 1870    HG3  PRO  94           HG3      PRO  94   4.875  19.289   0.662
 1871    HD2  PRO  94           HD2      PRO  94   2.524  20.514   2.071
 1872    HD3  PRO  94           HD3      PRO  94   2.676  19.989   0.381
 1873    H    ASP  95           H        ASP  95   1.524  16.407   3.462
 1874    HA   ASP  95           HA       ASP  95   0.364  15.982   5.366
 1875    HB2  ASP  95           HB2      ASP  95   2.388  14.662   5.731
 1876    HB3  ASP  95           HB3      ASP  95   3.159  16.039   6.505
 1877    H    LYS  96           H        LYS  96  -0.795  17.856   5.494
 1878    HA   LYS  96           HA       LYS  96  -1.784  19.534   6.643
 1879    HB2  LYS  96           HB2      LYS  96  -0.520  18.470   8.641
 1880    HB3  LYS  96           HB3      LYS  96   0.597  19.802   8.435
 1881    HG2  LYS  96           HG2      LYS  96  -0.982  20.364  10.146
 1882    HG3  LYS  96           HG3      LYS  96  -1.296  21.376   8.733
 1883    HD2  LYS  96           HD2      LYS  96  -3.121  19.909   8.066
 1884    HD3  LYS  96           HD3      LYS  96  -2.786  18.847   9.435
 1885    HE2  LYS  96           HE2      LYS  96  -3.351  20.631  10.985
 1886    HE3  LYS  96           HE3      LYS  96  -3.618  21.740   9.640
 1887    HZ1  LYS  96           HZ1      LYS  96  -5.419  20.305   8.877
 1888    HZ2  LYS  96           HZ2      LYS  96  -5.706  20.870  10.449
 1889    HZ3  LYS  96           HZ3      LYS  96  -5.179  19.274  10.202
 1890    H    GLN  97           H        GLN  97  -1.815  21.773   6.417
 1891    HA   GLN  97           HA       GLN  97  -0.380  22.664   4.193
 1892    HB2  GLN  97           HB2      GLN  97  -2.015  24.244   6.166
 1893    HB3  GLN  97           HB3      GLN  97  -1.420  24.877   4.637
 1894    HG2  GLN  97           HG2      GLN  97  -2.697  23.166   3.441
 1895    HG3  GLN  97           HG3      GLN  97  -3.304  22.555   4.977
 1896   HE21  GLN  97          HE21      GLN  97  -3.477  25.091   2.632
 1897   HE22  GLN  97          HE22      GLN  97  -4.896  25.856   3.261
 1898    HA   PRO  98           HA       PRO  98   2.132  25.584   7.258
 1899    HB2  PRO  98           HB2      PRO  98   2.848  24.286   9.580
 1900    HB3  PRO  98           HB3      PRO  98   1.532  25.457   9.441
 1901    HG2  PRO  98           HG2      PRO  98   1.425  22.467   9.390
 1902    HG3  PRO  98           HG3      PRO  98   0.354  23.614  10.220
 1903    HD2  PRO  98           HD2      PRO  98  -0.386  22.458   7.935
 1904    HD3  PRO  98           HD3      PRO  98  -0.781  24.156   8.265
 1905    H    ARG  99           H        ARG  99   2.578  22.582   5.981
 1906    HA   ARG  99           HA       ARG  99   5.493  22.995   6.064
 1907    HB2  ARG  99           HB2      ARG  99   4.770  20.933   7.352
 1908    HB3  ARG  99           HB3      ARG  99   4.175  20.283   5.830
 1909    HG2  ARG  99           HG2      ARG  99   6.555  20.673   4.955
 1910    HG3  ARG  99           HG3      ARG  99   7.002  20.840   6.653
 1911    HD2  ARG  99           HD2      ARG  99   5.818  18.444   5.269
 1912    HD3  ARG  99           HD3      ARG  99   7.391  18.576   6.051
 1913    HE   ARG  99           HE       ARG  99   5.726  19.050   8.095
 1914   HH11  ARG  99          HH12      ARG  99   5.896  16.487   5.702
 1915   HH12  ARG  99          HH11      ARG  99   4.999  15.362   6.673
 1916   HH21  ARG  99          HH22      ARG  99   4.547  17.563   9.368
 1917   HH22  ARG  99          HH21      ARG  99   4.196  15.980   8.745
 1918    H    LYS 100           H        LYS 100   6.449  23.069   4.068
 1919    HA   LYS 100           HA       LYS 100   5.041  21.911   1.801
 1920    HB2  LYS 100           HB2      LYS 100   5.258  23.968   0.443
 1921    HB3  LYS 100           HB3      LYS 100   4.152  24.150   1.792
 1922    HG2  LYS 100           HG2      LYS 100   5.300  26.133   1.851
 1923    HG3  LYS 100           HG3      LYS 100   6.216  25.164   3.004
 1924    HD2  LYS 100           HD2      LYS 100   7.866  24.658   1.271
 1925    HD3  LYS 100           HD3      LYS 100   6.941  25.610   0.108
 1926    HE2  LYS 100           HE2      LYS 100   8.817  26.892   0.977
 1927    HE3  LYS 100           HE3      LYS 100   7.284  27.609   1.472
 1928    HZ1  LYS 100           HZ1      LYS 100   7.537  26.529   3.634
 1929    HZ2  LYS 100           HZ2      LYS 100   8.831  27.570   3.304
 1930    HZ3  LYS 100           HZ3      LYS 100   9.035  25.892   3.154
 1931    H    LYS 101           H        LYS 101   6.339  21.557  -0.038
 1932    HA   LYS 101           HA       LYS 101   9.216  21.648   0.543
 1933    HB2  LYS 101           HB2      LYS 101   9.318  19.872  -1.312
 1934    HB3  LYS 101           HB3      LYS 101   8.678  19.389   0.250
 1935    HG2  LYS 101           HG2      LYS 101   6.530  19.175  -0.541
 1936    HG3  LYS 101           HG3      LYS 101   6.793  20.308  -1.869
 1937    HD2  LYS 101           HD2      LYS 101   8.003  17.551  -1.675
 1938    HD3  LYS 101           HD3      LYS 101   6.575  17.965  -2.627
 1939    HE2  LYS 101           HE2      LYS 101   9.383  18.999  -3.003
 1940    HE3  LYS 101           HE3      LYS 101   8.493  17.922  -4.077
 1941    HZ1  LYS 101           HZ1      LYS 101   7.947  20.788  -3.531
 1942    HZ2  LYS 101           HZ2      LYS 101   6.856  19.780  -4.348
 1943    HZ3  LYS 101           HZ3      LYS 101   8.391  20.078  -5.010
  Start of MODEL    9
    1    H1   GLN1897           H1       GLN1897 -20.418 -12.396   1.836
    2    H2   GLN1897           H2       GLN1897 -20.801 -11.099   2.866
    3    H3   GLN1897           H3       GLN1897 -19.355 -11.954   3.080
    4    HA   GLN1897           HA       GLN1897 -18.514 -11.188   0.994
    5    HB2  GLN1897           HB2      GLN1897 -20.611 -11.023  -0.228
    6    HB3  GLN1897           HB3      GLN1897 -21.160  -9.731   0.830
    7    HG2  GLN1897           HG2      GLN1897 -20.365  -8.992  -1.415
    8    HG3  GLN1897           HG3      GLN1897 -19.564  -8.203  -0.054
    9   HE21  GLN1897          HE21      GLN1897 -17.854  -7.649  -1.317
   10   HE22  GLN1897          HE22      GLN1897 -16.629  -8.774  -1.769
   11    H    ARG1898           H        ARG1898 -16.969 -10.313   2.252
   12    HA   ARG1898           HA       ARG1898 -16.749  -7.639   2.368
   13    HB2  ARG1898           HB2      ARG1898 -18.447  -7.652   4.152
   14    HB3  ARG1898           HB3      ARG1898 -17.389  -8.661   5.129
   15    HG2  ARG1898           HG2      ARG1898 -17.142  -6.388   5.851
   16    HG3  ARG1898           HG3      ARG1898 -15.663  -6.891   5.040
   17    HD2  ARG1898           HD2      ARG1898 -17.781  -4.976   4.098
   18    HD3  ARG1898           HD3      ARG1898 -16.041  -4.728   4.250
   19    HE   ARG1898           HE       ARG1898 -16.480  -6.696   2.306
   20   HH11  ARG1898          HH12      ARG1898 -16.977  -3.259   2.738
   21   HH12  ARG1898          HH11      ARG1898 -16.921  -2.920   1.037
   22   HH21  ARG1898          HH22      ARG1898 -16.399  -6.264   0.088
   23   HH22  ARG1898          HH21      ARG1898 -16.602  -4.628  -0.472
   24    H    GLU1899           H        GLU1899 -15.033  -8.659   1.432
   25    HA   GLU1899           HA       GLU1899 -12.991 -10.016   2.784
   26    HB2  GLU1899           HB2      GLU1899 -11.594  -8.925   0.943
   27    HB3  GLU1899           HB3      GLU1899 -12.957  -9.903   0.401
   28    HG2  GLU1899           HG2      GLU1899 -13.350  -6.996   0.848
   29    HG3  GLU1899           HG3      GLU1899 -12.529  -7.500  -0.610
   30    H    LEU1900           H        LEU1900 -14.030  -6.699   2.594
   31    HA   LEU1900           HA       LEU1900 -11.609  -5.528   3.468
   32    HB2  LEU1900           HB2      LEU1900 -14.418  -4.442   3.262
   33    HB3  LEU1900           HB3      LEU1900 -13.109  -3.526   3.958
   34    HG   LEU1900           HG       LEU1900 -13.266  -2.737   1.798
   35   HD11  LEU1900          HD11      LEU1900 -11.221  -3.408   0.676
   36   HD12  LEU1900          HD12      LEU1900 -10.986  -3.137   2.403
   37   HD13  LEU1900          HD13      LEU1900 -11.080  -4.782   1.772
   38   HD21  LEU1900          HD21      LEU1900 -13.427  -5.555   0.849
   39   HD22  LEU1900          HD22      LEU1900 -14.707  -4.338   0.853
   40   HD23  LEU1900          HD23      LEU1900 -13.297  -4.130  -0.187
   41    H    GLU1901           H        GLU1901 -13.888  -7.327   5.159
   42    HA   GLU1901           HA       GLU1901 -13.817  -5.954   7.658
   43    HB2  GLU1901           HB2      GLU1901 -15.577  -7.572   7.175
   44    HB3  GLU1901           HB3      GLU1901 -14.392  -8.865   7.053
   45    HG2  GLU1901           HG2      GLU1901 -13.841  -8.595   9.406
   46    HG3  GLU1901           HG3      GLU1901 -14.989  -7.264   9.533
   47    H    ASP1902           H        ASP1902 -12.061  -8.754   6.357
   48    HA   ASP1902           HA       ASP1902 -10.161  -8.626   8.562
   49    HB2  ASP1902           HB2      ASP1902 -10.958 -10.829   7.734
   50    HB3  ASP1902           HB3      ASP1902 -10.226 -10.484   6.170
   51    H    ALA1903           H        ALA1903 -10.563  -7.568   5.348
   52    HA   ALA1903           HA       ALA1903  -7.969  -7.232   4.403
   53    HB1  ALA1903           HB1      ALA1903 -10.222  -5.261   4.020
   54    HB2  ALA1903           HB2      ALA1903  -8.855  -5.563   2.941
   55    HB3  ALA1903           HB3      ALA1903 -10.108  -6.793   3.139
   56    H    THR1904           H        THR1904  -9.991  -4.671   5.734
   57    HA   THR1904           HA       THR1904  -7.567  -3.116   6.121
   58    HB   THR1904           HB       THR1904  -9.140  -1.180   6.193
   59    HG1  THR1904           HG1      THR1904 -11.212  -1.593   6.348
   60   HG21  THR1904          HG21      THR1904  -9.679  -1.281   3.792
   61   HG22  THR1904          HG22      THR1904  -9.357  -3.014   3.798
   62   HG23  THR1904          HG23      THR1904  -8.047  -1.872   4.112
   63    H    GLU1905           H        GLU1905  -9.459  -5.074   7.917
   64    HA   GLU1905           HA       GLU1905  -9.602  -3.906  10.431
   65    HB2  GLU1905           HB2      GLU1905 -10.271  -6.235   9.967
   66    HB3  GLU1905           HB3      GLU1905  -8.583  -6.650   9.681
   67    HG2  GLU1905           HG2      GLU1905  -9.220  -7.403  11.872
   68    HG3  GLU1905           HG3      GLU1905  -8.062  -6.086  12.013
   69    H    THR1906           H        THR1906  -6.995  -5.574   8.797
   70    HA   THR1906           HA       THR1906  -4.976  -5.021  10.705
   71    HB   THR1906           HB       THR1906  -4.251  -5.696   7.906
   72    HG1  THR1906           HG1      THR1906  -5.422  -7.483   7.824
   73   HG21  THR1906          HG21      THR1906  -2.616  -5.761   9.732
   74   HG22  THR1906          HG22      THR1906  -2.878  -7.366   9.050
   75   HG23  THR1906          HG23      THR1906  -3.626  -6.930  10.588
   76    H    ALA1907           H        ALA1907  -6.409  -3.222   8.167
   77    HA   ALA1907           HA       ALA1907  -4.260  -1.658   7.335
   78    HB1  ALA1907           HB1      ALA1907  -7.142  -0.810   7.599
   79    HB2  ALA1907           HB2      ALA1907  -5.898   0.055   6.691
   80    HB3  ALA1907           HB3      ALA1907  -6.405  -1.564   6.182
   81    H    ASP1908           H        ASP1908  -6.526  -1.187  10.001
   82    HA   ASP1908           HA       ASP1908  -5.527   1.188  11.034
   83    HB2  ASP1908           HB2      ASP1908  -7.607   0.076  11.791
   84    HB3  ASP1908           HB3      ASP1908  -6.639  -1.155  12.596
   85    H    ALA1909           H        ALA1909  -4.288  -2.086  11.339
   86    HA   ALA1909           HA       ALA1909  -2.397  -1.479  13.404
   87    HB1  ALA1909           HB1      ALA1909  -1.479  -3.680  12.966
   88    HB2  ALA1909           HB2      ALA1909  -3.239  -3.747  13.053
   89    HB3  ALA1909           HB3      ALA1909  -2.432  -3.802  11.487
   90    H    MET1910           H        MET1910  -1.795  -2.447   9.995
   91    HA   MET1910           HA       MET1910   0.772  -1.651   9.684
   92    HB2  MET1910           HB2      MET1910  -0.194  -2.689   7.847
   93    HB3  MET1910           HB3      MET1910  -1.560  -1.590   7.808
   94    HG2  MET1910           HG2      MET1910  -0.077   0.205   6.985
   95    HG3  MET1910           HG3      MET1910   1.277  -0.930   6.999
   96    HE1  MET1910           HE1      MET1910   1.240  -3.212   5.542
   97    HE2  MET1910           HE2      MET1910  -0.378  -3.575   6.147
   98    HE3  MET1910           HE3      MET1910  -0.061  -3.606   4.413
   99    H    ASN1911           H        ASN1911  -2.000   0.529   9.796
  100    HA   ASN1911           HA       ASN1911  -0.720   2.809   8.703
  101    HB2  ASN1911           HB2      ASN1911  -3.192   2.467   9.112
  102    HB3  ASN1911           HB3      ASN1911  -2.875   2.791  10.806
  103   HD21  ASN1911          HD21      ASN1911  -3.012   4.094   7.637
  104   HD22  ASN1911          HD22      ASN1911  -2.979   5.753   8.085
  105    H    ARG1912           H        ARG1912  -0.765   1.489  11.963
  106    HA   ARG1912           HA       ARG1912   0.235   3.828  13.242
  107    HB2  ARG1912           HB2      ARG1912   0.569   0.995  14.195
  108    HB3  ARG1912           HB3      ARG1912   0.516   2.450  15.173
  109    HG2  ARG1912           HG2      ARG1912  -1.754   1.126  13.721
  110    HG3  ARG1912           HG3      ARG1912  -1.575   1.398  15.457
  111    HD2  ARG1912           HD2      ARG1912  -1.787   3.782  15.149
  112    HD3  ARG1912           HD3      ARG1912  -1.817   3.585  13.394
  113    HE   ARG1912           HE       ARG1912  -3.939   2.169  14.016
  114   HH11  ARG1912          HH12      ARG1912  -2.879   5.183  15.445
  115   HH12  ARG1912          HH11      ARG1912  -4.498   5.750  15.768
  116   HH21  ARG1912          HH22      ARG1912  -6.077   2.916  14.417
  117   HH22  ARG1912          HH21      ARG1912  -6.302   4.471  15.170
  118    H    GLU1913           H        GLU1913   1.685   0.865  12.026
  119    HA   GLU1913           HA       GLU1913   4.354   1.684  12.685
  120    HB2  GLU1913           HB2      GLU1913   5.011  -0.343  11.402
  121    HB3  GLU1913           HB3      GLU1913   3.854  -0.669  12.687
  122    HG2  GLU1913           HG2      GLU1913   2.048  -0.728  11.062
  123    HG3  GLU1913           HG3      GLU1913   3.191  -0.374   9.761
  124    H    VAL1914           H        VAL1914   2.241   1.902   9.918
  125    HA   VAL1914           HA       VAL1914   4.256   2.329   7.961
  126    HB   VAL1914           HB       VAL1914   1.741   1.675   7.645
  127   HG11  VAL1914          HG11      VAL1914   0.317   3.558   6.960
  128   HG12  VAL1914          HG12      VAL1914   0.729   3.612   8.678
  129   HG13  VAL1914          HG13      VAL1914   1.558   4.675   7.535
  130   HG21  VAL1914          HG21      VAL1914   3.078   3.614   5.786
  131   HG22  VAL1914          HG22      VAL1914   3.302   1.865   5.817
  132   HG23  VAL1914          HG23      VAL1914   1.735   2.545   5.380
  133    H    SER1915           H        SER1915   2.374   4.454  10.028
  134    HA   SER1915           HA       SER1915   3.155   6.837   8.687
  135    HB2  SER1915           HB2      SER1915   1.080   6.552  10.017
  136    HB3  SER1915           HB3      SER1915   2.057   6.561  11.487
  137    HG   SER1915           HG       SER1915   1.110   8.648  10.777
  138    H    SER1916           H        SER1916   4.402   4.909  11.337
  139    HA   SER1916           HA       SER1916   6.599   6.736  11.760
  140    HB2  SER1916           HB2      SER1916   5.773   5.135  13.521
  141    HB3  SER1916           HB3      SER1916   6.431   3.818  12.550
  142    HG   SER1916           HG       SER1916   7.925   6.023  13.561
  143    H    LEU1917           H        LEU1917   5.843   4.015   9.713
  144    HA   LEU1917           HA       LEU1917   8.457   3.259   9.047
  145    HB2  LEU1917           HB2      LEU1917   6.544   1.777   8.658
  146    HB3  LEU1917           HB3      LEU1917   5.984   2.867   7.399
  147    HG   LEU1917           HG       LEU1917   8.032   2.483   6.121
  148   HD11  LEU1917          HD11      LEU1917   9.524   2.074   7.948
  149   HD12  LEU1917          HD12      LEU1917   8.662   0.590   8.351
  150   HD13  LEU1917          HD13      LEU1917   9.553   0.704   6.832
  151   HD21  LEU1917          HD21      LEU1917   7.638   0.218   5.456
  152   HD22  LEU1917          HD22      LEU1917   6.734  -0.089   6.939
  153   HD23  LEU1917          HD23      LEU1917   6.101   1.036   5.741
  154    H    LYS1918           H        LYS1918   6.068   5.002   7.038
  155    HA   LYS1918           HA       LYS1918   7.926   5.474   5.017
  156    HB2  LYS1918           HB2      LYS1918   6.293   6.549   3.911
  157    HB3  LYS1918           HB3      LYS1918   5.283   5.862   5.170
  158    HG2  LYS1918           HG2      LYS1918   6.479   8.596   5.316
  159    HG3  LYS1918           HG3      LYS1918   4.885   8.267   4.628
  160    HD2  LYS1918           HD2      LYS1918   3.932   8.061   6.655
  161    HD3  LYS1918           HD3      LYS1918   5.226   6.999   7.212
  162    HE2  LYS1918           HE2      LYS1918   5.111   8.983   8.561
  163    HE3  LYS1918           HE3      LYS1918   6.627   8.910   7.669
  164    HZ1  LYS1918           HZ1      LYS1918   5.765  11.133   7.605
  165    HZ2  LYS1918           HZ2      LYS1918   4.266  10.600   7.022
  166    HZ3  LYS1918           HZ3      LYS1918   5.652  10.474   6.050
  167    H    ASN1919           H        ASN1919   7.728   6.784   8.095
  168    HA   ASN1919           HA       ASN1919   9.219   9.206   7.553
  169    HB2  ASN1919           HB2      ASN1919   7.552   9.326   9.298
  170    HB3  ASN1919           HB3      ASN1919   8.248   7.936  10.123
  171   HD21  ASN1919          HD21      ASN1919   9.956   8.221  11.473
  172   HD22  ASN1919          HD22      ASN1919  10.627   9.770  11.865
  173    H    LYS1920           H        LYS1920   9.803   5.932   8.788
  174    HA   LYS1920           HA       LYS1920  12.528   6.533   9.501
  175    HB2  LYS1920           HB2      LYS1920  12.682   3.916   9.508
  176    HB3  LYS1920           HB3      LYS1920  11.850   4.756  10.799
  177    HG2  LYS1920           HG2      LYS1920   9.698   4.251   9.704
  178    HG3  LYS1920           HG3      LYS1920  10.538   3.312   8.456
  179    HD2  LYS1920           HD2      LYS1920   9.623   1.918  10.279
  180    HD3  LYS1920           HD3      LYS1920  11.377   1.791  10.136
  181    HE2  LYS1920           HE2      LYS1920  11.668   3.298  12.010
  182    HE3  LYS1920           HE3      LYS1920   9.923   3.534  12.120
  183    HZ1  LYS1920           HZ1      LYS1920   9.601   1.407  12.920
  184    HZ2  LYS1920           HZ2      LYS1920  11.050   1.860  13.684
  185    HZ3  LYS1920           HZ3      LYS1920  11.085   0.834  12.333
  186    H    LEU1921           H        LEU1921  10.751   5.409   6.780
  187    HA   LEU1921           HA       LEU1921  13.108   4.817   5.250
  188    HB2  LEU1921           HB2      LEU1921  10.274   5.244   4.297
  189    HB3  LEU1921           HB3      LEU1921  11.581   4.507   3.388
  190    HG   LEU1921           HG       LEU1921  10.001   3.371   5.666
  191   HD11  LEU1921          HD11      LEU1921  10.897   2.252   3.024
  192   HD12  LEU1921          HD12      LEU1921   9.858   1.442   4.201
  193   HD13  LEU1921          HD13      LEU1921   9.299   2.910   3.388
  194   HD21  LEU1921          HD21      LEU1921  12.703   2.379   4.784
  195   HD22  LEU1921          HD22      LEU1921  12.325   3.112   6.345
  196   HD23  LEU1921          HD23      LEU1921  11.609   1.562   5.902
  197    H    ARG1922           H        ARG1922  11.407   7.559   6.194
  198    HA   ARG1922           HA       ARG1922  12.596   9.259   4.150
  199    HB2  ARG1922           HB2      ARG1922  10.537   9.604   6.257
  200    HB3  ARG1922           HB3      ARG1922  11.484  11.018   5.855
  201    HG2  ARG1922           HG2      ARG1922   9.647   9.440   4.096
  202    HG3  ARG1922           HG3      ARG1922   9.545  11.141   4.546
  203    HD2  ARG1922           HD2      ARG1922  11.785  11.394   3.315
  204    HD3  ARG1922           HD3      ARG1922  11.425   9.801   2.629
  205    HE   ARG1922           HE       ARG1922   9.257  11.670   2.339
  206   HH11  ARG1922          HH12      ARG1922  12.345  10.735   0.998
  207   HH12  ARG1922          HH11      ARG1922  11.897  11.097  -0.635
  208   HH21  ARG1922          HH22      ARG1922   8.639  12.105   0.186
  209   HH22  ARG1922          HH21      ARG1922   9.781  11.877  -1.104
  210    H    ARG1923           H        ARG1923  13.760   7.776   6.766
  211    HA   ARG1923           HA       ARG1923  14.771   9.770   8.443
  212    HB2  ARG1923           HB2      ARG1923  14.704   7.359   9.005
  213    HB3  ARG1923           HB3      ARG1923  15.998   7.072   7.852
  214    HG2  ARG1923           HG2      ARG1923  16.836   7.147  10.132
  215    HG3  ARG1923           HG3      ARG1923  17.497   8.468   9.167
  216    HD2  ARG1923           HD2      ARG1923  15.878  10.003  10.128
  217    HD3  ARG1923           HD3      ARG1923  15.155   8.688  11.050
  218    HE   ARG1923           HE       ARG1923  17.547   8.544  12.047
  219   HH11  ARG1923          HH12      ARG1923  15.830  11.448  11.120
  220   HH12  ARG1923          HH11      ARG1923  16.612  12.447  12.314
  221   HH21  ARG1923          HH22      ARG1923  18.579   9.846  13.620
  222   HH22  ARG1923          HH21      ARG1923  18.199  11.544  13.721
  223    H    GLY1924           H        GLY1924  16.510   8.004   5.864
  224    HA2  GLY1924           HA2      GLY1924  17.714   9.640   4.314
  225    HA3  GLY1924           HA3      GLY1924  18.447  10.227   5.803
  226    H    ASP1925           H        ASP1925  18.396   7.470   6.889
  227    HA   ASP1925           HA       ASP1925  20.860   6.450   5.925
  228    HB2  ASP1925           HB2      ASP1925  18.683   5.187   7.611
  229    HB3  ASP1925           HB3      ASP1925  20.246   4.441   7.302
  230    H    LEU1926           H        LEU1926  17.519   5.939   5.214
  231    HA   LEU1926           HA       LEU1926  17.484   3.595   3.793
  232    HB2  LEU1926           HB2      LEU1926  15.891   6.055   3.889
  233    HB3  LEU1926           HB3      LEU1926  15.751   5.163   2.390
  234    HG   LEU1926           HG       LEU1926  14.412   4.698   4.862
  235   HD11  LEU1926          HD11      LEU1926  13.205   3.089   3.474
  236   HD12  LEU1926          HD12      LEU1926  13.478   4.599   2.604
  237   HD13  LEU1926          HD13      LEU1926  14.468   3.183   2.245
  238   HD21  LEU1926          HD21      LEU1926  16.336   3.256   5.447
  239   HD22  LEU1926          HD22      LEU1926  14.841   2.347   5.218
  240   HD23  LEU1926          HD23      LEU1926  16.075   2.340   3.959
  241    HA   PRO1927           HA       PRO1927  19.666   4.548   0.001
  242    HB2  PRO1927           HB2      PRO1927  19.260   2.211  -1.219
  243    HB3  PRO1927           HB3      PRO1927  20.329   2.326   0.183
  244    HG2  PRO1927           HG2      PRO1927  17.503   1.365   0.029
  245    HG3  PRO1927           HG3      PRO1927  18.869   0.688   0.934
  246    HD2  PRO1927           HD2      PRO1927  16.928   2.307   2.025
  247    HD3  PRO1927           HD3      PRO1927  18.561   2.116   2.689
  248    H    PHE1928           H        PHE1928  16.376   4.348   0.483
  249    HA   PHE1928           HA       PHE1928  15.847   5.146  -2.251
  250    HB2  PHE1928           HB2      PHE1928  14.477   3.413  -2.834
  251    HB3  PHE1928           HB3      PHE1928  15.546   2.569  -1.770
  252    HD1  PHE1928           HD2      PHE1928  12.539   4.635  -1.287
  253    HD2  PHE1928           HD1      PHE1928  14.464   0.918  -0.622
  254    HE1  PHE1928           HE2      PHE1928  10.618   3.868   0.044
  255    HE2  PHE1928           HE1      PHE1928  12.568   0.155   0.701
  256    HZ   PHE1928           HZ       PHE1928  10.621   1.470   0.877
  257    H    VAL1929           H        VAL1929  13.865   6.217  -2.542
  258    HA   VAL1929           HA       VAL1929  12.093   6.876  -0.414
  259    HB   VAL1929           HB       VAL1929  12.658   9.371  -0.537
  260   HG11  VAL1929          HG11      VAL1929  13.023   7.857   1.401
  261   HG12  VAL1929          HG12      VAL1929  14.673   7.618   0.822
  262   HG13  VAL1929          HG13      VAL1929  14.141   9.229   1.320
  263   HG21  VAL1929          HG21      VAL1929  15.279   8.208  -1.448
  264   HG22  VAL1929          HG22      VAL1929  14.170   9.153  -2.442
  265   HG23  VAL1929          HG23      VAL1929  14.974   9.905  -1.061
  266    H    VAL1930           H        VAL1930  10.503   8.543  -1.136
  267    HA   VAL1930           HA       VAL1930  10.139   8.335  -3.999
  268    HB   VAL1930           HB       VAL1930   8.346   9.867  -2.140
  269   HG11  VAL1930          HG11      VAL1930   7.974   8.587  -4.843
  270   HG12  VAL1930          HG12      VAL1930   6.679   9.320  -3.899
  271   HG13  VAL1930          HG13      VAL1930   8.015  10.312  -4.479
  272   HG21  VAL1930          HG21      VAL1930   8.525   7.631  -1.233
  273   HG22  VAL1930          HG22      VAL1930   6.956   7.839  -2.012
  274   HG23  VAL1930          HG23      VAL1930   8.231   6.933  -2.822
  275    HA   PRO1931           HA       PRO1931  11.811  12.415  -4.903
  276    HB2  PRO1931           HB2      PRO1931  10.883  12.369  -7.486
  277    HB3  PRO1931           HB3      PRO1931  12.404  11.631  -6.972
  278    HG2  PRO1931           HG2      PRO1931   9.735  10.354  -7.434
  279    HG3  PRO1931           HG3      PRO1931  11.356   9.765  -7.864
  280    HD2  PRO1931           HD2      PRO1931  10.020   8.837  -5.723
  281    HD3  PRO1931           HD3      PRO1931  11.788   9.010  -5.720
  282    H    ARG1932           H        ARG1932  10.781  14.390  -5.941
  283    HA   ARG1932           HA       ARG1932   8.439  15.054  -4.579
  284    HB2  ARG1932           HB2      ARG1932  10.076  16.713  -5.327
  285    HB3  ARG1932           HB3      ARG1932   9.637  16.397  -7.000
  286    HG2  ARG1932           HG2      ARG1932   7.410  17.260  -6.612
  287    HG3  ARG1932           HG3      ARG1932   7.776  17.499  -4.904
  288    HD2  ARG1932           HD2      ARG1932   7.929  19.585  -6.182
  289    HD3  ARG1932           HD3      ARG1932   9.474  19.129  -5.466
  290    HE   ARG1932           HE       ARG1932   9.021  18.321  -8.230
  291   HH11  ARG1932          HH12      ARG1932  10.443  20.624  -6.009
  292   HH12  ARG1932          HH11      ARG1932  11.579  21.241  -7.174
  293   HH21  ARG1932          HH22      ARG1932  10.529  19.103  -9.758
  294   HH22  ARG1932          HH21      ARG1932  11.632  20.364  -9.302
  295    H    ARG1933           H        ARG1933   8.838  13.471  -7.577
  296    HA   ARG1933           HA       ARG1933   5.942  13.294  -7.855
  297    HB2  ARG1933           HB2      ARG1933   6.124  13.617 -10.318
  298    HB3  ARG1933           HB3      ARG1933   6.514  15.065  -9.401
  299    HG2  ARG1933           HG2      ARG1933   8.888  14.646  -9.718
  300    HG3  ARG1933           HG3      ARG1933   8.517  13.166 -10.602
  301    HD2  ARG1933           HD2      ARG1933   7.282  14.521 -12.265
  302    HD3  ARG1933           HD3      ARG1933   7.784  15.977 -11.405
  303    HE   ARG1933           HE       ARG1933  10.129  14.720 -11.909
  304   HH11  ARG1933          HH12      ARG1933   7.427  15.722 -13.908
  305   HH12  ARG1933          HH11      ARG1933   8.394  15.899 -15.341
  306   HH21  ARG1933          HH22      ARG1933  11.399  14.936 -13.802
  307   HH22  ARG1933          HH21      ARG1933  10.646  15.456 -15.287
  308    H    MET1934           H        MET1934   5.941  11.739 -10.210
  309    HA   MET1934           HA       MET1934   6.939   9.260  -9.167
  310    HB2  MET1934           HB2      MET1934   5.447  10.038 -11.646
  311    HB3  MET1934           HB3      MET1934   6.165   8.436 -11.515
  312    HG2  MET1934           HG2      MET1934   4.235   9.611  -9.531
  313    HG3  MET1934           HG3      MET1934   3.790   8.519 -10.843
  314    HE1  MET1934           HE1      MET1934   4.391   7.127  -6.818
  315    HE2  MET1934           HE2      MET1934   4.863   8.788  -7.194
  316    HE3  MET1934           HE3      MET1934   3.268   8.195  -7.661
  317    H    ALA1935           H        ALA1935   8.102  11.698 -11.238
  318    HA   ALA1935           HA       ALA1935  10.094  12.052 -12.254
  319    HB1  ALA1935           HB1      ALA1935  10.793  11.756  -9.907
  320    HB2  ALA1935           HB2      ALA1935  11.078  10.045 -10.229
  321    HB3  ALA1935           HB3      ALA1935  12.044  11.268 -11.058
  322    H    MET   1           H1       MET   1   0.741  -4.391 -17.874
  323    HA   MET   1           HA       MET   1   1.967  -3.793 -20.501
  324    HB2  MET   1           HB2      MET   1  -0.524  -3.914 -20.491
  325    HB3  MET   1           HB3      MET   1  -0.548  -2.682 -19.235
  326    HG2  MET   1           HG2      MET   1   0.561  -1.121 -20.770
  327    HG3  MET   1           HG3      MET   1   0.520  -2.354 -22.029
  328    HE1  MET   1           HE1      MET   1  -0.629   0.529 -22.538
  329    HE2  MET   1           HE2      MET   1  -0.707  -0.775 -23.722
  330    HE3  MET   1           HE3      MET   1  -2.156   0.152 -23.333
  331    H    ALA   2           H        ALA   2   1.081  -2.646 -17.256
  332    HA   ALA   2           HA       ALA   2   2.889  -0.355 -17.603
  333    HB1  ALA   2           HB1      ALA   2   1.852   0.533 -15.597
  334    HB2  ALA   2           HB2      ALA   2   0.612   0.067 -16.761
  335    HB3  ALA   2           HB3      ALA   2   0.951  -0.968 -15.372
  336    H    CYS   3           H        CYS   3   4.214   0.173 -15.540
  337    HA   CYS   3           HA       CYS   3   5.694  -2.117 -14.681
  338    HB2  CYS   3           HB2      CYS   3   5.764   0.736 -13.661
  339    HB3  CYS   3           HB3      CYS   3   6.960  -0.511 -13.323
  340    HG   CYS   3           HG       CYS   3   7.375   1.676 -15.458
  341    HA   PRO   4           HA       PRO   4   2.258  -3.248 -12.132
  342    HB2  PRO   4           HB2      PRO   4   4.439  -4.916 -10.939
  343    HB3  PRO   4           HB3      PRO   4   2.804  -5.394 -11.427
  344    HG2  PRO   4           HG2      PRO   4   4.811  -6.019 -12.996
  345    HG3  PRO   4           HG3      PRO   4   3.345  -5.321 -13.718
  346    HD2  PRO   4           HD2      PRO   4   5.972  -4.015 -13.126
  347    HD3  PRO   4           HD3      PRO   4   4.919  -3.837 -14.546
  348    H    LEU   5           H        LEU   5   5.305  -3.336 -10.270
  349    HA   LEU   5           HA       LEU   5   3.975  -2.658  -7.855
  350    HB2  LEU   5           HB2      LEU   5   6.338  -3.828  -8.441
  351    HB3  LEU   5           HB3      LEU   5   6.894  -2.211  -8.062
  352    HG   LEU   5           HG       LEU   5   7.007  -3.732  -6.124
  353   HD11  LEU   5          HD11      LEU   5   5.001  -1.517  -5.805
  354   HD12  LEU   5          HD12      LEU   5   5.911  -2.288  -4.505
  355   HD13  LEU   5          HD13      LEU   5   6.755  -1.353  -5.739
  356   HD21  LEU   5          HD21      LEU   5   5.090  -5.143  -6.671
  357   HD22  LEU   5          HD22      LEU   5   4.976  -4.493  -5.036
  358   HD23  LEU   5          HD23      LEU   5   4.004  -3.794  -6.331
  359    H    GLU   6           H        GLU   6   5.692  -0.834 -10.307
  360    HA   GLU   6           HA       GLU   6   6.021   1.572  -8.946
  361    HB2  GLU   6           HB2      GLU   6   7.072   1.203 -11.099
  362    HB3  GLU   6           HB3      GLU   6   5.499   1.091 -11.878
  363    HG2  GLU   6           HG2      GLU   6   5.132   3.480 -11.009
  364    HG3  GLU   6           HG3      GLU   6   6.877   3.500 -10.763
  365    H    LYS   7           H        LYS   7   3.399   0.485 -11.051
  366    HA   LYS   7           HA       LYS   7   1.845   2.797 -10.896
  367    HB2  LYS   7           HB2      LYS   7   1.161  -0.065 -11.530
  368    HB3  LYS   7           HB3      LYS   7  -0.058   1.201 -11.535
  369    HG2  LYS   7           HG2      LYS   7   2.453   1.465 -13.147
  370    HG3  LYS   7           HG3      LYS   7   1.067   0.556 -13.750
  371    HD2  LYS   7           HD2      LYS   7   0.821   2.728 -14.625
  372    HD3  LYS   7           HD3      LYS   7  -0.318   2.630 -13.284
  373    HE2  LYS   7           HE2      LYS   7   0.711   4.730 -13.077
  374    HE3  LYS   7           HE3      LYS   7   1.484   3.713 -11.865
  375    HZ1  LYS   7           HZ1      LYS   7   3.380   3.444 -13.302
  376    HZ2  LYS   7           HZ2      LYS   7   3.057   5.097 -13.125
  377    HZ3  LYS   7           HZ3      LYS   7   2.612   4.298 -14.549
  378    H    ALA   8           H        ALA   8   2.054   0.033  -8.759
  379    HA   ALA   8           HA       ALA   8  -0.251   0.244  -7.284
  380    HB1  ALA   8           HB1      ALA   8   0.973  -0.749  -5.427
  381    HB2  ALA   8           HB2      ALA   8   1.406  -1.517  -6.956
  382    HB3  ALA   8           HB3      ALA   8   2.501  -0.353  -6.214
  383    H    LEU   9           H        LEU   9   2.795   2.022  -6.632
  384    HA   LEU   9           HA       LEU   9   1.556   3.498  -4.497
  385    HB2  LEU   9           HB2      LEU   9   4.167   4.124  -5.882
  386    HB3  LEU   9           HB3      LEU   9   3.627   4.744  -4.337
  387    HG   LEU   9           HG       LEU   9   5.169   3.136  -3.731
  388   HD11  LEU   9          HD11      LEU   9   3.104   2.792  -2.525
  389   HD12  LEU   9          HD12      LEU   9   2.538   1.676  -3.769
  390   HD13  LEU   9          HD13      LEU   9   3.939   1.260  -2.780
  391   HD21  LEU   9          HD21      LEU   9   4.025   1.240  -5.767
  392   HD22  LEU   9          HD22      LEU   9   5.493   2.201  -5.978
  393   HD23  LEU   9          HD23      LEU   9   5.420   0.960  -4.727
  394    H    ASP  10           H        ASP  10   2.377   4.130  -7.855
  395    HA   ASP  10           HA       ASP  10   1.869   6.875  -7.963
  396    HB2  ASP  10           HB2      ASP  10   2.930   5.801  -9.825
  397    HB3  ASP  10           HB3      ASP  10   1.568   4.710 -10.049
  398    H    VAL  11           H        VAL  11  -0.323   4.136  -8.484
  399    HA   VAL  11           HA       VAL  11  -2.548   5.825  -9.095
  400    HB   VAL  11           HB       VAL  11  -3.874   3.849  -9.220
  401   HG11  VAL  11          HG11      VAL  11  -1.096   3.270 -10.233
  402   HG12  VAL  11          HG12      VAL  11  -2.590   2.539 -10.822
  403   HG13  VAL  11          HG13      VAL  11  -2.306   4.267 -11.042
  404   HG21  VAL  11          HG21      VAL  11  -3.038   1.642  -8.535
  405   HG22  VAL  11          HG22      VAL  11  -1.589   2.402  -7.879
  406   HG23  VAL  11          HG23      VAL  11  -3.164   2.748  -7.167
  407    H    MET  12           H        MET  12  -1.173   4.577  -6.190
  408    HA   MET  12           HA       MET  12  -3.384   4.590  -4.493
  409    HB2  MET  12           HB2      MET  12  -0.453   4.972  -4.112
  410    HB3  MET  12           HB3      MET  12  -1.530   5.331  -2.769
  411    HG2  MET  12           HG2      MET  12  -2.287   3.132  -2.638
  412    HG3  MET  12           HG3      MET  12  -1.653   2.725  -4.233
  413    HE1  MET  12           HE1      MET  12  -0.843   0.528  -2.822
  414    HE2  MET  12           HE2      MET  12   0.369   0.609  -1.538
  415    HE3  MET  12           HE3      MET  12  -1.259   1.237  -1.254
  416    H    VAL  13           H        VAL  13  -1.220   7.242  -5.427
  417    HA   VAL  13           HA       VAL  13  -2.876   9.112  -3.934
  418    HB   VAL  13           HB       VAL  13  -1.243  10.840  -4.689
  419   HG11  VAL  13          HG11      VAL  13  -0.072   8.429  -3.304
  420   HG12  VAL  13          HG12      VAL  13   0.585  10.067  -3.252
  421   HG13  VAL  13          HG13      VAL  13  -0.995   9.724  -2.537
  422   HG21  VAL  13          HG21      VAL  13  -0.498   9.810  -6.755
  423   HG22  VAL  13          HG22      VAL  13   0.872  10.093  -5.680
  424   HG23  VAL  13          HG23      VAL  13   0.210   8.468  -5.853
  425    H    SER  14           H        SER  14  -2.353   8.078  -7.214
  426    HA   SER  14           HA       SER  14  -3.551  10.328  -8.481
  427    HB2  SER  14           HB2      SER  14  -2.003   8.707  -9.605
  428    HB3  SER  14           HB3      SER  14  -3.295   7.509  -9.559
  429    HG   SER  14           HG       SER  14  -3.237   9.975 -10.958
  430    H    THR  15           H        THR  15  -4.769   7.016  -7.920
  431    HA   THR  15           HA       THR  15  -7.427   7.542  -8.723
  432    HB   THR  15           HB       THR  15  -6.599   5.426  -6.730
  433    HG1  THR  15           HG1      THR  15  -5.257   4.815  -8.255
  434   HG21  THR  15          HG21      THR  15  -9.007   5.639  -7.208
  435   HG22  THR  15          HG22      THR  15  -8.349   4.104  -7.778
  436   HG23  THR  15          HG23      THR  15  -8.673   5.407  -8.924
  437    H    PHE  16           H        PHE  16  -5.680   7.868  -5.751
  438    HA   PHE  16           HA       PHE  16  -7.592   8.200  -3.816
  439    HB2  PHE  16           HB2      PHE  16  -5.165   8.246  -3.438
  440    HB3  PHE  16           HB3      PHE  16  -5.058   9.799  -4.248
  441    HD1  PHE  16           HD2      PHE  16  -6.603   8.126  -1.319
  442    HD2  PHE  16           HD1      PHE  16  -5.186  11.747  -3.030
  443    HE1  PHE  16           HE2      PHE  16  -6.878   9.252   0.849
  444    HE2  PHE  16           HE1      PHE  16  -5.450  12.878  -0.867
  445    HZ   PHE  16           HZ       PHE  16  -6.300  11.632   1.075
  446    H    HIS  17           H        HIS  17  -6.093  10.947  -5.521
  447    HA   HIS  17           HA       HIS  17  -7.993  12.833  -4.709
  448    HB2  HIS  17           HB2      HIS  17  -6.200  12.926  -7.143
  449    HB3  HIS  17           HB3      HIS  17  -7.023  14.301  -6.422
  450    HD1  HIS  17           HD1      HIS  17  -6.323  14.008  -3.490
  451    HD2  HIS  17           HD2      HIS  17  -3.600  13.309  -6.557
  452    HE1  HIS  17           HE1      HIS  17  -4.047  14.356  -2.474
  453    HE2  HIS  17           HE2      HIS  17  -2.447  14.162  -4.411
  454    H    LYS  18           H        LYS  18  -8.093  10.562  -7.348
  455    HA   LYS  18           HA       LYS  18  -9.702  12.012  -9.137
  456    HB2  LYS  18           HB2      LYS  18  -8.443   9.911  -9.688
  457    HB3  LYS  18           HB3      LYS  18  -9.682   9.002  -8.831
  458    HG2  LYS  18           HG2      LYS  18 -11.285  10.274 -10.438
  459    HG3  LYS  18           HG3      LYS  18  -9.857  10.460 -11.428
  460    HD2  LYS  18           HD2      LYS  18 -11.087   7.882 -10.465
  461    HD3  LYS  18           HD3      LYS  18 -11.147   8.522 -12.111
  462    HE2  LYS  18           HE2      LYS  18  -8.749   8.341 -12.290
  463    HE3  LYS  18           HE3      LYS  18  -8.672   7.816 -10.613
  464    HZ1  LYS  18           HZ1      LYS  18  -9.926   5.823 -11.219
  465    HZ2  LYS  18           HZ2      LYS  18  -8.511   5.939 -12.144
  466    HZ3  LYS  18           HZ3      LYS  18 -10.003   6.344 -12.831
  467    H    TYR  19           H        TYR  19 -10.605   9.778  -6.523
  468    HA   TYR  19           HA       TYR  19 -13.426  10.185  -7.217
  469    HB2  TYR  19           HB2      TYR  19 -12.117   8.155  -5.398
  470    HB3  TYR  19           HB3      TYR  19 -13.851   8.268  -5.693
  471    HD1  TYR  19           HD1      TYR  19 -14.791   7.600  -7.839
  472    HD2  TYR  19           HD2      TYR  19 -10.620   7.301  -7.092
  473    HE1  TYR  19           HE1      TYR  19 -14.542   6.171  -9.827
  474    HE2  TYR  19           HE2      TYR  19 -10.360   5.874  -9.071
  475    HH   TYR  19           HH       TYR  19 -11.665   4.417 -10.490
  476    H    SER  20           H        SER  20 -11.128  10.932  -4.715
  477    HA   SER  20           HA       SER  20 -13.058  11.522  -2.704
  478    HB2  SER  20           HB2      SER  20 -11.086  12.769  -1.656
  479    HB3  SER  20           HB3      SER  20 -10.855  11.045  -1.961
  480    HG   SER  20           HG       SER  20  -9.438  11.476  -3.478
  481    H    GLY  21           H        GLY  21 -11.580  13.304  -5.317
  482    HA2  GLY  21           HA2      GLY  21 -12.619  15.853  -4.416
  483    HA3  GLY  21           HA3      GLY  21 -11.745  15.548  -5.910
  484    H    LYS  22           H        LYS  22 -14.589  13.787  -4.845
  485    HA   LYS  22           HA       LYS  22 -16.032  14.869  -7.168
  486    HB2  LYS  22           HB2      LYS  22 -16.158  12.209  -5.770
  487    HB3  LYS  22           HB3      LYS  22 -17.473  12.761  -6.804
  488    HG2  LYS  22           HG2      LYS  22 -16.023  12.836  -8.704
  489    HG3  LYS  22           HG3      LYS  22 -14.611  12.515  -7.693
  490    HD2  LYS  22           HD2      LYS  22 -15.493  10.315  -7.135
  491    HD3  LYS  22           HD3      LYS  22 -16.933  10.634  -8.105
  492    HE2  LYS  22           HE2      LYS  22 -14.143  10.685  -9.230
  493    HE3  LYS  22           HE3      LYS  22 -15.140   9.230  -9.199
  494    HZ1  LYS  22           HZ1      LYS  22 -15.809  11.779 -10.575
  495    HZ2  LYS  22           HZ2      LYS  22 -16.812  10.414 -10.501
  496    HZ3  LYS  22           HZ3      LYS  22 -15.328  10.332 -11.317
  497    H    GLU  23           H        GLU  23 -16.799  13.494  -3.959
  498    HA   GLU  23           HA       GLU  23 -18.910  15.538  -3.727
  499    HB2  GLU  23           HB2      GLU  23 -18.621  12.827  -2.446
  500    HB3  GLU  23           HB3      GLU  23 -19.821  14.006  -1.933
  501    HG2  GLU  23           HG2      GLU  23 -20.818  13.982  -4.144
  502    HG3  GLU  23           HG3      GLU  23 -19.589  12.846  -4.700
  503    H    GLY  24           H        GLY  24 -15.880  14.586  -2.458
  504    HA2  GLY  24           HA2      GLY  24 -16.286  16.461  -0.212
  505    HA3  GLY  24           HA3      GLY  24 -15.394  14.960  -0.013
  506    H    ASP  25           H        ASP  25 -13.532  16.054   0.641
  507    HA   ASP  25           HA       ASP  25 -12.228  17.848  -1.231
  508    HB2  ASP  25           HB2      ASP  25 -12.019  18.266   1.187
  509    HB3  ASP  25           HB3      ASP  25 -11.259  16.691   1.398
  510    H    LYS  26           H        LYS  26 -10.193  17.381  -2.225
  511    HA   LYS  26           HA       LYS  26 -10.177  14.782  -3.359
  512    HB2  LYS  26           HB2      LYS  26  -8.684  15.601  -4.880
  513    HB3  LYS  26           HB3      LYS  26  -9.346  17.116  -4.294
  514    HG2  LYS  26           HG2      LYS  26  -6.777  15.865  -3.342
  515    HG3  LYS  26           HG3      LYS  26  -6.899  17.150  -4.540
  516    HD2  LYS  26           HD2      LYS  26  -7.735  18.684  -2.919
  517    HD3  LYS  26           HD3      LYS  26  -7.947  17.396  -1.725
  518    HE2  LYS  26           HE2      LYS  26  -5.548  17.040  -1.650
  519    HE3  LYS  26           HE3      LYS  26  -5.309  18.265  -2.893
  520    HZ1  LYS  26           HZ1      LYS  26  -6.479  18.793  -0.208
  521    HZ2  LYS  26           HZ2      LYS  26  -6.125  19.950  -1.396
  522    HZ3  LYS  26           HZ3      LYS  26  -4.867  19.096  -0.640
  523    H    PHE  27           H        PHE  27  -9.017  15.753  -0.406
  524    HA   PHE  27           HA       PHE  27  -6.971  13.656  -0.374
  525    HB2  PHE  27           HB2      PHE  27  -6.757  16.209   0.428
  526    HB3  PHE  27           HB3      PHE  27  -7.333  15.480   1.925
  527    HD1  PHE  27           HD2      PHE  27  -6.053  13.627   2.947
  528    HD2  PHE  27           HD1      PHE  27  -4.613  15.910  -0.325
  529    HE1  PHE  27           HE2      PHE  27  -3.746  12.892   3.458
  530    HE2  PHE  27           HE1      PHE  27  -2.303  15.177   0.155
  531    HZ   PHE  27           HZ       PHE  27  -1.872  13.667   2.055
  532    H    LYS  28           H        LYS  28 -10.175  13.997   0.265
  533    HA   LYS  28           HA       LYS  28 -10.023  12.018   2.442
  534    HB2  LYS  28           HB2      LYS  28 -11.942  14.360   2.274
  535    HB3  LYS  28           HB3      LYS  28 -12.071  13.048   3.435
  536    HG2  LYS  28           HG2      LYS  28  -9.797  15.009   3.228
  537    HG3  LYS  28           HG3      LYS  28 -11.087  15.028   4.434
  538    HD2  LYS  28           HD2      LYS  28 -10.341  12.722   5.109
  539    HD3  LYS  28           HD3      LYS  28  -8.942  12.953   4.056
  540    HE2  LYS  28           HE2      LYS  28  -8.348  13.499   6.337
  541    HE3  LYS  28           HE3      LYS  28  -8.334  14.960   5.350
  542    HZ1  LYS  28           HZ1      LYS  28 -10.478  15.567   6.231
  543    HZ2  LYS  28           HZ2      LYS  28  -9.410  15.287   7.516
  544    HZ3  LYS  28           HZ3      LYS  28 -10.577  14.125   7.117
  545    H    LEU  29           H        LEU  29 -10.829  10.222   1.760
  546    HA   LEU  29           HA       LEU  29 -13.107  10.312  -0.097
  547    HB2  LEU  29           HB2      LEU  29 -11.323   8.025   0.715
  548    HB3  LEU  29           HB3      LEU  29 -12.768   7.820  -0.252
  549    HG   LEU  29           HG       LEU  29 -11.548   9.656  -1.755
  550   HD11  LEU  29          HD11      LEU  29  -9.632   9.856  -0.248
  551   HD12  LEU  29          HD12      LEU  29  -9.284   8.142  -0.468
  552   HD13  LEU  29          HD13      LEU  29  -9.155   9.250  -1.834
  553   HD21  LEU  29          HD21      LEU  29 -10.927   6.709  -1.772
  554   HD22  LEU  29          HD22      LEU  29 -12.338   7.479  -2.498
  555   HD23  LEU  29          HD23      LEU  29 -10.725   7.816  -3.131
  556    H    ASN  30           H        ASN  30 -14.942  10.616   1.022
  557    HA   ASN  30           HA       ASN  30 -15.503   9.157   3.435
  558    HB2  ASN  30           HB2      ASN  30 -17.674  10.152   3.383
  559    HB3  ASN  30           HB3      ASN  30 -16.557  11.390   2.826
  560   HD21  ASN  30          HD21      ASN  30 -16.650  12.091   0.713
  561   HD22  ASN  30          HD22      ASN  30 -17.958  11.674  -0.349
  562    H    LYS  31           H        LYS  31 -17.897   8.004   3.214
  563    HA   LYS  31           HA       LYS  31 -17.457   5.505   2.193
  564    HB2  LYS  31           HB2      LYS  31 -20.112   6.924   2.421
  565    HB3  LYS  31           HB3      LYS  31 -19.927   5.195   2.174
  566    HG2  LYS  31           HG2      LYS  31 -18.683   5.081   4.322
  567    HG3  LYS  31           HG3      LYS  31 -19.055   6.789   4.571
  568    HD2  LYS  31           HD2      LYS  31 -21.203   4.744   4.076
  569    HD3  LYS  31           HD3      LYS  31 -20.581   5.067   5.693
  570    HE2  LYS  31           HE2      LYS  31 -22.547   6.372   5.424
  571    HE3  LYS  31           HE3      LYS  31 -21.179   7.478   5.339
  572    HZ1  LYS  31           HZ1      LYS  31 -21.409   7.640   3.001
  573    HZ2  LYS  31           HZ2      LYS  31 -22.952   7.860   3.659
  574    HZ3  LYS  31           HZ3      LYS  31 -22.541   6.376   2.940
  575    H    SER  32           H        SER  32 -19.123   8.156   0.520
  576    HA   SER  32           HA       SER  32 -19.894   6.629  -1.717
  577    HB2  SER  32           HB2      SER  32 -20.843   8.860  -0.902
  578    HB3  SER  32           HB3      SER  32 -19.483   9.617  -1.730
  579    HG   SER  32           HG       SER  32 -20.877   9.570  -3.333
  580    H    GLU  33           H        GLU  33 -17.007   8.569  -1.072
  581    HA   GLU  33           HA       GLU  33 -16.113   8.655  -3.784
  582    HB2  GLU  33           HB2      GLU  33 -14.304   8.872  -1.377
  583    HB3  GLU  33           HB3      GLU  33 -14.131   9.651  -2.945
  584    HG2  GLU  33           HG2      GLU  33 -16.117  10.332  -0.791
  585    HG3  GLU  33           HG3      GLU  33 -14.720  11.278  -1.288
  586    H    LEU  34           H        LEU  34 -15.259   6.762  -0.931
  587    HA   LEU  34           HA       LEU  34 -13.344   5.103  -2.137
  588    HB2  LEU  34           HB2      LEU  34 -15.077   4.918   0.282
  589    HB3  LEU  34           HB3      LEU  34 -14.228   3.484  -0.259
  590    HG   LEU  34           HG       LEU  34 -12.856   6.089   0.360
  591   HD11  LEU  34          HD11      LEU  34 -12.155   4.972   2.439
  592   HD12  LEU  34          HD12      LEU  34 -13.896   5.248   2.362
  593   HD13  LEU  34          HD13      LEU  34 -13.246   3.636   2.064
  594   HD21  LEU  34          HD21      LEU  34 -11.638   4.686  -1.168
  595   HD22  LEU  34          HD22      LEU  34 -10.860   4.632   0.416
  596   HD23  LEU  34          HD23      LEU  34 -11.868   3.286  -0.120
  597    H    LYS  35           H        LYS  35 -16.853   4.770  -1.781
  598    HA   LYS  35           HA       LYS  35 -17.067   2.153  -2.694
  599    HB2  LYS  35           HB2      LYS  35 -18.945   3.418  -1.682
  600    HB3  LYS  35           HB3      LYS  35 -19.064   4.381  -3.151
  601    HG2  LYS  35           HG2      LYS  35 -19.838   2.585  -4.416
  602    HG3  LYS  35           HG3      LYS  35 -19.285   1.394  -3.238
  603    HD2  LYS  35           HD2      LYS  35 -21.637   1.500  -3.017
  604    HD3  LYS  35           HD3      LYS  35 -20.981   2.387  -1.640
  605    HE2  LYS  35           HE2      LYS  35 -21.318   4.491  -2.914
  606    HE3  LYS  35           HE3      LYS  35 -22.089   3.535  -4.180
  607    HZ1  LYS  35           HZ1      LYS  35 -23.026   3.760  -1.368
  608    HZ2  LYS  35           HZ2      LYS  35 -23.770   2.838  -2.589
  609    HZ3  LYS  35           HZ3      LYS  35 -23.725   4.527  -2.710
  610    H    GLU  36           H        GLU  36 -17.329   5.161  -4.604
  611    HA   GLU  36           HA       GLU  36 -17.692   3.831  -7.049
  612    HB2  GLU  36           HB2      GLU  36 -18.014   6.330  -6.530
  613    HB3  GLU  36           HB3      GLU  36 -16.285   6.475  -6.827
  614    HG2  GLU  36           HG2      GLU  36 -16.603   5.485  -9.038
  615    HG3  GLU  36           HG3      GLU  36 -18.340   5.435  -8.755
  616    H    LEU  37           H        LEU  37 -14.793   4.939  -5.381
  617    HA   LEU  37           HA       LEU  37 -12.859   4.362  -7.283
  618    HB2  LEU  37           HB2      LEU  37 -12.615   5.480  -5.017
  619    HB3  LEU  37           HB3      LEU  37 -12.580   3.870  -4.324
  620    HG   LEU  37           HG       LEU  37 -10.625   4.393  -6.482
  621   HD11  LEU  37          HD11      LEU  37 -10.384   5.618  -3.739
  622   HD12  LEU  37          HD12      LEU  37  -9.112   5.557  -4.961
  623   HD13  LEU  37          HD13      LEU  37 -10.575   6.498  -5.255
  624   HD21  LEU  37          HD21      LEU  37 -10.514   3.059  -3.776
  625   HD22  LEU  37          HD22      LEU  37 -10.654   2.256  -5.341
  626   HD23  LEU  37          HD23      LEU  37  -9.180   3.129  -4.928
  627    H    LEU  38           H        LEU  38 -14.145   2.242  -4.739
  628    HA   LEU  38           HA       LEU  38 -12.706  -0.037  -5.613
  629    HB2  LEU  38           HB2      LEU  38 -14.997   0.394  -3.735
  630    HB3  LEU  38           HB3      LEU  38 -14.533  -1.235  -4.192
  631    HG   LEU  38           HG       LEU  38 -12.155   0.072  -3.418
  632   HD11  LEU  38          HD11      LEU  38 -13.497   1.767  -2.306
  633   HD12  LEU  38          HD12      LEU  38 -14.386   0.511  -1.442
  634   HD13  LEU  38          HD13      LEU  38 -12.667   0.749  -1.128
  635   HD21  LEU  38          HD21      LEU  38 -12.168  -1.598  -1.633
  636   HD22  LEU  38          HD22      LEU  38 -13.868  -1.938  -1.962
  637   HD23  LEU  38          HD23      LEU  38 -12.644  -2.303  -3.179
  638    H    THR  39           H        THR  39 -15.991   1.117  -6.273
  639    HA   THR  39           HA       THR  39 -16.898  -1.201  -7.587
  640    HB   THR  39           HB       THR  39 -18.590   0.199  -8.703
  641    HG1  THR  39           HG1      THR  39 -16.808   2.196  -8.031
  642   HG21  THR  39          HG21      THR  39 -18.967  -0.543  -6.394
  643   HG22  THR  39          HG22      THR  39 -19.717   1.020  -6.711
  644   HG23  THR  39          HG23      THR  39 -18.209   0.935  -5.803
  645    H    ARG  40           H        ARG  40 -14.831   1.364  -8.647
  646    HA   ARG  40           HA       ARG  40 -15.146   0.699 -11.451
  647    HB2  ARG  40           HB2      ARG  40 -13.448   2.741 -10.019
  648    HB3  ARG  40           HB3      ARG  40 -13.430   2.513 -11.762
  649    HG2  ARG  40           HG2      ARG  40 -15.832   3.298 -10.122
  650    HG3  ARG  40           HG3      ARG  40 -14.844   4.390 -11.096
  651    HD2  ARG  40           HD2      ARG  40 -16.462   2.058 -12.111
  652    HD3  ARG  40           HD3      ARG  40 -16.872   3.763 -12.287
  653    HE   ARG  40           HE       ARG  40 -14.311   3.282 -13.377
  654   HH11  ARG  40          HH12      ARG  40 -17.710   2.728 -14.035
  655   HH12  ARG  40          HH11      ARG  40 -17.481   2.615 -15.754
  656   HH21  ARG  40          HH22      ARG  40 -14.024   3.155 -15.634
  657   HH22  ARG  40          HH21      ARG  40 -15.394   2.863 -16.662
  658    H    GLU  41           H        GLU  41 -12.391   0.835  -9.161
  659    HA   GLU  41           HA       GLU  41 -10.887  -0.786 -11.076
  660    HB2  GLU  41           HB2      GLU  41 -10.117   1.133  -8.944
  661    HB3  GLU  41           HB3      GLU  41  -8.990  -0.150  -9.353
  662    HG2  GLU  41           HG2      GLU  41  -8.363   1.701 -10.619
  663    HG3  GLU  41           HG3      GLU  41  -9.166   0.606 -11.740
  664    H    LEU  42           H        LEU  42 -12.411  -1.134  -7.997
  665    HA   LEU  42           HA       LEU  42 -10.893  -3.638  -7.614
  666    HB2  LEU  42           HB2      LEU  42 -12.123  -1.975  -5.412
  667    HB3  LEU  42           HB3      LEU  42 -11.154  -3.422  -5.213
  668    HG   LEU  42           HG       LEU  42  -9.316  -1.977  -6.430
  669   HD11  LEU  42          HD11      LEU  42 -11.185  -0.097  -6.573
  670   HD12  LEU  42          HD12      LEU  42 -10.621   0.251  -4.939
  671   HD13  LEU  42          HD13      LEU  42  -9.479   0.309  -6.292
  672   HD21  LEU  42          HD21      LEU  42 -10.098  -1.610  -3.541
  673   HD22  LEU  42          HD22      LEU  42  -9.157  -2.949  -4.194
  674   HD23  LEU  42          HD23      LEU  42  -8.501  -1.313  -4.228
  675    HA   PRO  43           HA       PRO  43 -15.664  -4.189  -7.758
  676    HB2  PRO  43           HB2      PRO  43 -15.271  -5.757 -10.207
  677    HB3  PRO  43           HB3      PRO  43 -16.385  -4.423  -9.899
  678    HG2  PRO  43           HG2      PRO  43 -14.251  -4.149 -11.514
  679    HG3  PRO  43           HG3      PRO  43 -14.847  -2.820 -10.503
  680    HD2  PRO  43           HD2      PRO  43 -12.521  -4.652 -10.043
  681    HD3  PRO  43           HD3      PRO  43 -12.642  -2.897  -9.786
  682    H    SER  44           H        SER  44 -12.961  -6.274  -8.472
  683    HA   SER  44           HA       SER  44 -14.174  -8.735  -7.795
  684    HB2  SER  44           HB2      SER  44 -11.245  -7.967  -7.652
  685    HB3  SER  44           HB3      SER  44 -11.899  -9.605  -7.745
  686    HG   SER  44           HG       SER  44 -11.814  -9.364  -9.820
  687    H    PHE  45           H        PHE  45 -12.968  -6.100  -5.934
  688    HA   PHE  45           HA       PHE  45 -12.868  -7.733  -3.507
  689    HB2  PHE  45           HB2      PHE  45 -12.050  -4.853  -3.955
  690    HB3  PHE  45           HB3      PHE  45 -11.850  -5.749  -2.454
  691    HD1  PHE  45           HD1      PHE  45 -10.446  -7.924  -2.596
  692    HD2  PHE  45           HD2      PHE  45 -10.343  -4.824  -5.510
  693    HE1  PHE  45           HE1      PHE  45  -8.250  -8.724  -3.363
  694    HE2  PHE  45           HE2      PHE  45  -8.147  -5.620  -6.283
  695    HZ   PHE  45           HZ       PHE  45  -7.098  -7.572  -5.210
  696    H    LEU  46           H        LEU  46 -15.226  -6.423  -5.174
  697    HA   LEU  46           HA       LEU  46 -16.655  -5.599  -2.736
  698    HB2  LEU  46           HB2      LEU  46 -17.179  -4.677  -5.557
  699    HB3  LEU  46           HB3      LEU  46 -18.147  -4.252  -4.148
  700    HG   LEU  46           HG       LEU  46 -15.288  -3.452  -4.696
  701   HD11  LEU  46          HD11      LEU  46 -16.968  -2.216  -5.941
  702   HD12  LEU  46          HD12      LEU  46 -17.844  -1.878  -4.447
  703   HD13  LEU  46          HD13      LEU  46 -16.234  -1.202  -4.699
  704   HD21  LEU  46          HD21      LEU  46 -15.529  -3.917  -2.329
  705   HD22  LEU  46          HD22      LEU  46 -15.460  -2.173  -2.594
  706   HD23  LEU  46          HD23      LEU  46 -17.007  -2.958  -2.265
  707    H    GLY  47           H        GLY  47 -16.621  -7.648  -5.522
  708    HA2  GLY  47           HA2      GLY  47 -17.902  -9.511  -5.993
  709    HA3  GLY  47           HA3      GLY  47 -18.780  -9.232  -4.493
  710    H    LYS  48           H        LYS  48 -18.656  -6.476  -6.401
  711    HA   LYS  48           HA       LYS  48 -20.158  -5.291  -7.611
  712    HB2  LYS  48           HB2      LYS  48 -20.801  -8.070  -8.524
  713    HB3  LYS  48           HB3      LYS  48 -21.774  -6.709  -9.052
  714    HG2  LYS  48           HG2      LYS  48 -20.234  -6.936 -10.760
  715    HG3  LYS  48           HG3      LYS  48 -19.530  -5.661  -9.768
  716    HD2  LYS  48           HD2      LYS  48 -17.774  -7.164 -10.359
  717    HD3  LYS  48           HD3      LYS  48 -18.138  -7.426  -8.652
  718    HE2  LYS  48           HE2      LYS  48 -19.379  -9.412  -9.155
  719    HE3  LYS  48           HE3      LYS  48 -19.277  -9.099 -10.887
  720    HZ1  LYS  48           HZ1      LYS  48 -17.009  -9.765  -9.081
  721    HZ2  LYS  48           HZ2      LYS  48 -16.858  -9.374 -10.724
  722    HZ3  LYS  48           HZ3      LYS  48 -17.690 -10.776 -10.261
  723    H    ARG  49           H        ARG  49 -20.851  -6.474  -4.903
  724    HA   ARG  49           HA       ARG  49 -23.716  -5.852  -4.987
  725    HB2  ARG  49           HB2      ARG  49 -24.158  -7.607  -3.361
  726    HB3  ARG  49           HB3      ARG  49 -23.403  -8.286  -4.797
  727    HG2  ARG  49           HG2      ARG  49 -21.241  -8.302  -3.622
  728    HG3  ARG  49           HG3      ARG  49 -22.051  -7.701  -2.174
  729    HD2  ARG  49           HD2      ARG  49 -21.864 -10.038  -1.901
  730    HD3  ARG  49           HD3      ARG  49 -23.546  -9.725  -2.319
  731    HE   ARG  49           HE       ARG  49 -22.501 -10.255  -4.719
  732   HH11  ARG  49          HH12      ARG  49 -22.294 -11.939  -1.649
  733   HH12  ARG  49          HH11      ARG  49 -21.955 -13.483  -2.383
  734   HH21  ARG  49          HH22      ARG  49 -22.084 -12.286  -5.678
  735   HH22  ARG  49          HH21      ARG  49 -21.864 -13.678  -4.663
  736    H    THR  50           H        THR  50 -21.571  -4.108  -4.408
  737    HA   THR  50           HA       THR  50 -21.532  -3.926  -1.498
  738    HB   THR  50           HB       THR  50 -19.904  -1.927  -2.265
  739    HG1  THR  50           HG1      THR  50 -20.372  -2.689  -4.528
  740   HG21  THR  50          HG21      THR  50 -19.202  -4.865  -2.085
  741   HG22  THR  50          HG22      THR  50 -19.384  -3.761  -0.722
  742   HG23  THR  50          HG23      THR  50 -18.078  -3.523  -1.883
  743    H    ASP  51           H        ASP  51 -23.049  -2.867  -0.636
  744    HA   ASP  51           HA       ASP  51 -23.752  -0.208  -1.690
  745    HB2  ASP  51           HB2      ASP  51 -25.284  -2.113   0.090
  746    HB3  ASP  51           HB3      ASP  51 -25.722  -0.416  -0.070
  747    H    GLU  52           H        GLU  52 -24.805   0.720   0.803
  748    HA   GLU  52           HA       GLU  52 -22.381   1.572   2.046
  749    HB2  GLU  52           HB2      GLU  52 -25.225   1.881   3.027
  750    HB3  GLU  52           HB3      GLU  52 -23.831   2.810   3.561
  751    HG2  GLU  52           HG2      GLU  52 -24.871   2.812   0.740
  752    HG3  GLU  52           HG3      GLU  52 -25.334   3.991   1.964
  753    H    ALA  53           H        ALA  53 -24.065  -1.261   2.258
  754    HA   ALA  53           HA       ALA  53 -23.876  -1.738   5.082
  755    HB1  ALA  53           HB1      ALA  53 -24.424  -3.675   2.841
  756    HB2  ALA  53           HB2      ALA  53 -24.666  -3.973   4.563
  757    HB3  ALA  53           HB3      ALA  53 -25.641  -2.763   3.733
  758    H    ALA  54           H        ALA  54 -22.214  -3.143   2.223
  759    HA   ALA  54           HA       ALA  54 -20.292  -4.536   3.783
  760    HB1  ALA  54           HB1      ALA  54 -20.689  -5.223   1.487
  761    HB2  ALA  54           HB2      ALA  54 -20.148  -3.653   0.891
  762    HB3  ALA  54           HB3      ALA  54 -18.994  -4.741   1.675
  763    H    PHE  55           H        PHE  55 -20.440  -1.322   2.398
  764    HA   PHE  55           HA       PHE  55 -17.714  -0.685   2.914
  765    HB2  PHE  55           HB2      PHE  55 -20.115   0.864   2.055
  766    HB3  PHE  55           HB3      PHE  55 -18.682   1.732   2.600
  767    HD1  PHE  55           HD1      PHE  55 -20.053  -0.504   0.039
  768    HD2  PHE  55           HD2      PHE  55 -16.645   1.686   1.338
  769    HE1  PHE  55           HE1      PHE  55 -18.995  -0.855  -2.151
  770    HE2  PHE  55           HE2      PHE  55 -15.587   1.343  -0.852
  771    HZ   PHE  55           HZ       PHE  55 -16.759   0.070  -2.599
  772    H    GLN  56           H        GLN  56 -20.491  -0.811   4.872
  773    HA   GLN  56           HA       GLN  56 -19.928   1.061   6.856
  774    HB2  GLN  56           HB2      GLN  56 -22.024  -0.161   6.756
  775    HB3  GLN  56           HB3      GLN  56 -21.191  -1.675   7.071
  776    HG2  GLN  56           HG2      GLN  56 -20.582  -0.871   9.297
  777    HG3  GLN  56           HG3      GLN  56 -21.436   0.640   8.977
  778   HE21  GLN  56          HE21      GLN  56 -21.905  -1.411  11.022
  779   HE22  GLN  56          HE22      GLN  56 -23.548  -1.927  10.797
  780    H    LYS  57           H        LYS  57 -18.687  -2.234   6.396
  781    HA   LYS  57           HA       LYS  57 -17.161  -2.199   8.824
  782    HB2  LYS  57           HB2      LYS  57 -17.752  -4.111   6.762
  783    HB3  LYS  57           HB3      LYS  57 -16.016  -4.049   7.012
  784    HG2  LYS  57           HG2      LYS  57 -17.988  -4.441   9.247
  785    HG3  LYS  57           HG3      LYS  57 -17.276  -5.771   8.343
  786    HD2  LYS  57           HD2      LYS  57 -15.892  -5.649  10.189
  787    HD3  LYS  57           HD3      LYS  57 -14.996  -4.666   9.028
  788    HE2  LYS  57           HE2      LYS  57 -15.757  -2.652  10.045
  789    HE3  LYS  57           HE3      LYS  57 -16.919  -3.519  11.048
  790    HZ1  LYS  57           HZ1      LYS  57 -14.886  -2.852  12.249
  791    HZ2  LYS  57           HZ2      LYS  57 -13.976  -3.850  11.232
  792    HZ3  LYS  57           HZ3      LYS  57 -15.136  -4.529  12.259
  793    H    LEU  58           H        LEU  58 -16.368  -1.988   5.377
  794    HA   LEU  58           HA       LEU  58 -13.642  -1.718   5.488
  795    HB2  LEU  58           HB2      LEU  58 -14.850  -1.907   3.393
  796    HB3  LEU  58           HB3      LEU  58 -15.572  -0.324   3.632
  797    HG   LEU  58           HG       LEU  58 -13.432   0.756   3.388
  798   HD11  LEU  58          HD11      LEU  58 -11.393  -0.457   3.014
  799   HD12  LEU  58          HD12      LEU  58 -12.138  -1.038   4.508
  800   HD13  LEU  58          HD13      LEU  58 -12.256  -1.995   3.028
  801   HD21  LEU  58          HD21      LEU  58 -12.836  -0.053   1.053
  802   HD22  LEU  58          HD22      LEU  58 -14.104  -1.258   1.255
  803   HD23  LEU  58          HD23      LEU  58 -14.502   0.458   1.313
  804    H    MET  59           H        MET  59 -15.723   1.088   4.989
  805    HA   MET  59           HA       MET  59 -14.212   3.183   5.612
  806    HB2  MET  59           HB2      MET  59 -16.812   2.908   5.234
  807    HB3  MET  59           HB3      MET  59 -16.859   3.067   6.987
  808    HG2  MET  59           HG2      MET  59 -17.190   5.213   6.003
  809    HG3  MET  59           HG3      MET  59 -15.603   5.182   6.779
  810    HE1  MET  59           HE1      MET  59 -15.523   7.549   5.012
  811    HE2  MET  59           HE2      MET  59 -14.175   6.711   5.792
  812    HE3  MET  59           HE3      MET  59 -14.060   7.165   4.091
  813    H    SER  60           H        SER  60 -15.757   1.136   8.053
  814    HA   SER  60           HA       SER  60 -14.949   2.586  10.323
  815    HB2  SER  60           HB2      SER  60 -16.727   0.795  10.208
  816    HB3  SER  60           HB3      SER  60 -15.410  -0.383  10.161
  817    HG   SER  60           HG       SER  60 -15.317  -0.226  12.251
  818    H    ASN  61           H        ASN  61 -13.565  -0.352   8.840
  819    HA   ASN  61           HA       ASN  61 -11.392  -0.651  10.638
  820    HB2  ASN  61           HB2      ASN  61 -11.669  -1.489   7.745
  821    HB3  ASN  61           HB3      ASN  61 -10.390  -2.021   8.824
  822   HD21  ASN  61          HD21      ASN  61 -10.901  -3.428  10.504
  823   HD22  ASN  61          HD22      ASN  61 -12.315  -4.419  10.426
  824    H    LEU  62           H        LEU  62 -11.781   0.815   7.526
  825    HA   LEU  62           HA       LEU  62  -9.188   1.642   7.001
  826    HB2  LEU  62           HB2      LEU  62 -11.665   1.860   5.812
  827    HB3  LEU  62           HB3      LEU  62 -11.219   3.529   6.115
  828    HG   LEU  62           HG       LEU  62  -9.247   3.334   4.812
  829   HD11  LEU  62          HD11      LEU  62  -8.690   1.135   3.742
  830   HD12  LEU  62          HD12      LEU  62  -8.440   1.210   5.487
  831   HD13  LEU  62          HD13      LEU  62  -9.862   0.396   4.835
  832   HD21  LEU  62          HD21      LEU  62 -10.126   2.728   2.634
  833   HD22  LEU  62          HD22      LEU  62 -11.455   1.854   3.395
  834   HD23  LEU  62          HD23      LEU  62 -11.347   3.604   3.556
  835    H    ASP  63           H        ASP  63 -11.794   3.553   8.498
  836    HA   ASP  63           HA       ASP  63 -10.205   5.882   8.764
  837    HB2  ASP  63           HB2      ASP  63 -12.712   5.812   8.688
  838    HB3  ASP  63           HB3      ASP  63 -12.692   5.177  10.330
  839    H    SER  64           H        SER  64  -8.336   5.562   9.842
  840    HA   SER  64           HA       SER  64  -8.333   4.163  12.385
  841    HB2  SER  64           HB2      SER  64  -5.879   4.286  12.180
  842    HB3  SER  64           HB3      SER  64  -6.620   3.616  10.729
  843    HG   SER  64           HG       SER  64  -6.551   6.085  10.151
  844    H    ASN  65           H        ASN  65  -8.379   7.390  11.223
  845    HA   ASN  65           HA       ASN  65  -7.316   8.422  13.764
  846    HB2  ASN  65           HB2      ASN  65  -6.851  10.445  12.684
  847    HB3  ASN  65           HB3      ASN  65  -6.518   9.248  11.438
  848   HD21  ASN  65          HD21      ASN  65  -8.075   8.944   9.768
  849   HD22  ASN  65          HD22      ASN  65  -9.175  10.222   9.356
  850    H    ARG  66           H        ARG  66 -10.191   7.775  12.177
  851    HA   ARG  66           HA       ARG  66 -12.363   8.069  12.675
  852    HB2  ARG  66           HB2      ARG  66 -11.392   9.457  15.179
  853    HB3  ARG  66           HB3      ARG  66 -13.061   9.016  14.845
  854    HG2  ARG  66           HG2      ARG  66 -10.728   7.179  15.310
  855    HG3  ARG  66           HG3      ARG  66 -12.180   7.367  16.295
  856    HD2  ARG  66           HD2      ARG  66 -12.011   6.215  13.512
  857    HD3  ARG  66           HD3      ARG  66 -12.340   5.334  15.005
  858    HE   ARG  66           HE       ARG  66 -14.346   7.106  14.981
  859   HH11  ARG  66          HH12      ARG  66 -13.109   4.978  12.480
  860   HH12  ARG  66          HH11      ARG  66 -14.642   4.836  11.677
  861   HH21  ARG  66          HH22      ARG  66 -16.362   6.908  13.911
  862   HH22  ARG  66          HH21      ARG  66 -16.478   5.911  12.490
  863    H    ASP  67           H        ASP  67 -12.321   9.323  10.807
  864    HA   ASP  67           HA       ASP  67 -12.835  12.191  11.280
  865    HB2  ASP  67           HB2      ASP  67 -10.555  11.670  10.259
  866    HB3  ASP  67           HB3      ASP  67 -11.425  11.093   8.842
  867    H    ASN  68           H        ASN  68 -13.769   9.221   9.967
  868    HA   ASN  68           HA       ASN  68 -15.548   8.462   8.794
  869    HB2  ASN  68           HB2      ASN  68 -16.540  11.312   8.934
  870    HB3  ASN  68           HB3      ASN  68 -17.462   9.964   8.273
  871   HD21  ASN  68          HD21      ASN  68 -16.368   8.118  10.320
  872   HD22  ASN  68          HD22      ASN  68 -17.233   8.491  11.774
  873    H    GLU  69           H        GLU  69 -13.259  10.360   7.681
  874    HA   GLU  69           HA       GLU  69 -13.898   9.744   4.910
  875    HB2  GLU  69           HB2      GLU  69 -13.036  12.476   5.892
  876    HB3  GLU  69           HB3      GLU  69 -13.010  11.982   4.204
  877    HG2  GLU  69           HG2      GLU  69 -15.412  11.678   4.230
  878    HG3  GLU  69           HG3      GLU  69 -15.463  12.097   5.941
  879    H    VAL  70           H        VAL  70 -12.231   8.697   4.073
  880    HA   VAL  70           HA       VAL  70  -9.961   8.216   5.713
  881    HB   VAL  70           HB       VAL  70 -10.397   7.406   2.842
  882   HG11  VAL  70          HG11      VAL  70  -8.510   6.334   4.926
  883   HG12  VAL  70          HG12      VAL  70  -8.773   5.638   3.326
  884   HG13  VAL  70          HG13      VAL  70  -8.067   7.247   3.483
  885   HG21  VAL  70          HG21      VAL  70 -12.181   6.611   4.307
  886   HG22  VAL  70          HG22      VAL  70 -11.160   5.282   3.761
  887   HG23  VAL  70          HG23      VAL  70 -10.979   5.917   5.394
  888    H    ASP  71           H        ASP  71  -8.596   9.813   6.013
  889    HA   ASP  71           HA       ASP  71  -7.527  11.522   4.018
  890    HB2  ASP  71           HB2      ASP  71  -7.407  11.941   6.484
  891    HB3  ASP  71           HB3      ASP  71  -6.286  10.590   6.629
  892    H    PHE  72           H        PHE  72  -5.183  11.342   3.281
  893    HA   PHE  72           HA       PHE  72  -4.866   8.931   1.898
  894    HB2  PHE  72           HB2      PHE  72  -3.816  11.115   1.265
  895    HB3  PHE  72           HB3      PHE  72  -2.609  10.821   2.523
  896    HD1  PHE  72           HD2      PHE  72  -4.267   8.856  -0.153
  897    HD2  PHE  72           HD1      PHE  72  -0.635   9.942   1.760
  898    HE1  PHE  72           HE2      PHE  72  -3.047   7.369  -1.666
  899    HE2  PHE  72           HE1      PHE  72   0.589   8.454   0.238
  900    HZ   PHE  72           HZ       PHE  72  -0.575   7.180  -1.437
  901    H    GLN  73           H        GLN  73  -3.710   9.937   5.013
  902    HA   GLN  73           HA       GLN  73  -1.749   8.110   5.602
  903    HB2  GLN  73           HB2      GLN  73  -3.977   9.139   7.366
  904    HB3  GLN  73           HB3      GLN  73  -2.594   8.235   7.967
  905    HG2  GLN  73           HG2      GLN  73  -2.365  10.825   6.459
  906    HG3  GLN  73           HG3      GLN  73  -2.441  10.714   8.216
  907   HE21  GLN  73          HE21      GLN  73  -0.914   8.276   8.362
  908   HE22  GLN  73          HE22      GLN  73   0.726   8.680   7.990
  909    H    GLU  74           H        GLU  74  -5.261   7.627   6.159
  910    HA   GLU  74           HA       GLU  74  -4.804   4.831   6.726
  911    HB2  GLU  74           HB2      GLU  74  -7.521   5.064   6.486
  912    HB3  GLU  74           HB3      GLU  74  -6.611   5.246   7.974
  913    HG2  GLU  74           HG2      GLU  74  -6.957   7.645   6.273
  914    HG3  GLU  74           HG3      GLU  74  -8.361   7.044   7.153
  915    H    TYR  75           H        TYR  75  -5.229   6.664   3.951
  916    HA   TYR  75           HA       TYR  75  -6.669   4.718   2.428
  917    HB2  TYR  75           HB2      TYR  75  -6.619   7.166   1.883
  918    HB3  TYR  75           HB3      TYR  75  -4.944   6.972   1.379
  919    HD1  TYR  75           HD2      TYR  75  -4.448   5.323  -0.477
  920    HD2  TYR  75           HD1      TYR  75  -8.377   6.739   0.395
  921    HE1  TYR  75           HE2      TYR  75  -5.179   4.599  -2.708
  922    HE2  TYR  75           HE1      TYR  75  -9.116   6.003  -1.852
  923    HH   TYR  75           HH       TYR  75  -8.143   5.523  -4.050
  924    H    CYS  76           H        CYS  76  -3.279   5.479   2.992
  925    HA   CYS  76           HA       CYS  76  -2.107   3.729   1.142
  926    HB2  CYS  76           HB2      CYS  76  -1.136   4.452   3.900
  927    HB3  CYS  76           HB3      CYS  76  -0.156   3.773   2.609
  928    HG   CYS  76           HG       CYS  76  -0.800   6.074   0.934
  929    H    VAL  77           H        VAL  77  -3.150   3.163   4.459
  930    HA   VAL  77           HA       VAL  77  -2.306   0.436   4.391
  931    HB   VAL  77           HB       VAL  77  -3.376   0.229   6.578
  932   HG11  VAL  77          HG11      VAL  77  -1.727   2.717   6.170
  933   HG12  VAL  77          HG12      VAL  77  -1.983   1.914   7.720
  934   HG13  VAL  77          HG13      VAL  77  -1.124   1.079   6.427
  935   HG21  VAL  77          HG21      VAL  77  -5.322   1.660   6.220
  936   HG22  VAL  77          HG22      VAL  77  -4.412   2.188   7.635
  937   HG23  VAL  77          HG23      VAL  77  -4.275   3.075   6.117
  938    H    PHE  78           H        PHE  78  -5.152   2.116   3.427
  939    HA   PHE  78           HA       PHE  78  -7.030   0.088   3.376
  940    HB2  PHE  78           HB2      PHE  78  -7.561   2.366   2.661
  941    HB3  PHE  78           HB3      PHE  78  -6.424   2.243   1.327
  942    HD1  PHE  78           HD1      PHE  78  -9.121  -0.090   2.446
  943    HD2  PHE  78           HD2      PHE  78  -7.573   2.458  -0.583
  944    HE1  PHE  78           HE1      PHE  78 -10.920  -0.806   0.928
  945    HE2  PHE  78           HE2      PHE  78  -9.352   1.751  -2.107
  946    HZ   PHE  78           HZ       PHE  78 -11.042   0.118  -1.353
  947    H    LEU  79           H        LEU  79  -4.824   0.994   0.752
  948    HA   LEU  79           HA       LEU  79  -5.471  -1.302  -0.765
  949    HB2  LEU  79           HB2      LEU  79  -3.266   0.722  -1.052
  950    HB3  LEU  79           HB3      LEU  79  -3.616  -0.531  -2.235
  951    HG   LEU  79           HG       LEU  79  -5.396   1.750  -1.412
  952   HD11  LEU  79          HD11      LEU  79  -3.691   2.326  -3.031
  953   HD12  LEU  79          HD12      LEU  79  -4.157   0.960  -4.043
  954   HD13  LEU  79          HD13      LEU  79  -5.276   2.301  -3.798
  955   HD21  LEU  79          HD21      LEU  79  -7.060   0.797  -2.916
  956   HD22  LEU  79          HD22      LEU  79  -6.018  -0.600  -3.193
  957   HD23  LEU  79          HD23      LEU  79  -6.695  -0.309  -1.589
  958    H    SER  80           H        SER  80  -2.634  -0.487   1.206
  959    HA   SER  80           HA       SER  80  -1.123  -2.696   0.347
  960    HB2  SER  80           HB2      SER  80  -0.980  -1.099   2.899
  961    HB3  SER  80           HB3      SER  80   0.248  -2.247   2.357
  962    HG   SER  80           HG       SER  80   1.015  -0.679   1.218
  963    H    CYS  81           H        CYS  81  -3.587  -2.359   2.800
  964    HA   CYS  81           HA       CYS  81  -3.108  -5.008   3.810
  965    HB2  CYS  81           HB2      CYS  81  -5.253  -2.972   4.329
  966    HB3  CYS  81           HB3      CYS  81  -5.244  -4.572   5.080
  967    HG   CYS  81           HG       CYS  81  -2.922  -2.095   5.463
  968    H    ILE  82           H        ILE  82  -4.868  -3.616   1.196
  969    HA   ILE  82           HA       ILE  82  -6.549  -5.953   0.871
  970    HB   ILE  82           HB       ILE  82  -6.000  -3.983  -1.349
  971   HG12  ILE  82          HG12      ILE  82  -8.048  -3.729   0.861
  972   HG13  ILE  82          HG13      ILE  82  -6.671  -2.662   0.596
  973   HG21  ILE  82          HG21      ILE  82  -8.518  -5.495  -0.672
  974   HG22  ILE  82          HG22      ILE  82  -8.103  -4.693  -2.191
  975   HG23  ILE  82          HG23      ILE  82  -7.251  -6.164  -1.712
  976   HD11  ILE  82          HD11      ILE  82  -8.725  -1.663  -0.211
  977   HD12  ILE  82          HD12      ILE  82  -7.612  -1.975  -1.544
  978   HD13  ILE  82          HD13      ILE  82  -8.992  -3.041  -1.277
  979    H    ALA  83           H        ALA  83  -3.321  -4.913  -0.050
  980    HA   ALA  83           HA       ALA  83  -2.670  -6.893  -1.890
  981    HB1  ALA  83           HB1      ALA  83  -1.075  -5.200  -1.122
  982    HB2  ALA  83           HB2      ALA  83  -1.015  -5.974   0.462
  983    HB3  ALA  83           HB3      ALA  83  -0.410  -6.826  -0.959
  984    H    MET  84           H        MET  84  -2.380  -7.074   1.630
  985    HA   MET  84           HA       MET  84  -1.854  -9.808   1.826
  986    HB2  MET  84           HB2      MET  84  -3.120  -7.885   3.769
  987    HB3  MET  84           HB3      MET  84  -2.765  -9.557   4.185
  988    HG2  MET  84           HG2      MET  84  -0.418  -9.202   3.813
  989    HG3  MET  84           HG3      MET  84  -0.721  -7.563   3.238
  990    HE1  MET  84           HE1      MET  84  -1.372  -5.548   4.746
  991    HE2  MET  84           HE2      MET  84  -2.850  -6.417   5.166
  992    HE3  MET  84           HE3      MET  84  -1.855  -5.696   6.437
  993    H    MET  85           H        MET  85  -4.877  -8.063   1.643
  994    HA   MET  85           HA       MET  85  -6.514 -10.366   2.169
  995    HB2  MET  85           HB2      MET  85  -7.232  -8.073   2.761
  996    HB3  MET  85           HB3      MET  85  -7.232  -7.649   1.052
  997    HG2  MET  85           HG2      MET  85  -8.838 -10.004   1.688
  998    HG3  MET  85           HG3      MET  85  -9.392  -8.507   2.442
  999    HE1  MET  85           HE1      MET  85 -10.656  -6.334  -0.284
 1000    HE2  MET  85           HE2      MET  85 -11.035  -7.012   1.308
 1001    HE3  MET  85           HE3      MET  85  -9.462  -6.230   1.022
 1002    H    CYS  86           H        CYS  86  -5.351  -8.692  -0.743
 1003    HA   CYS  86           HA       CYS  86  -6.905 -10.046  -2.629
 1004    HB2  CYS  86           HB2      CYS  86  -5.470  -8.123  -3.184
 1005    HB3  CYS  86           HB3      CYS  86  -4.039  -9.106  -2.895
 1006    HG   CYS  86           HG       CYS  86  -5.741 -10.784  -5.042
 1007    H    ASN  87           H        ASN  87  -4.122 -11.069  -0.792
 1008    HA   ASN  87           HA       ASN  87  -3.342 -13.317  -2.243
 1009    HB2  ASN  87           HB2      ASN  87  -2.010 -12.578  -0.381
 1010    HB3  ASN  87           HB3      ASN  87  -3.344 -12.826   0.742
 1011   HD21  ASN  87          HD21      ASN  87  -0.949 -14.404  -1.255
 1012   HD22  ASN  87          HD22      ASN  87  -1.018 -15.936  -0.459
 1013    H    GLU  88           H        GLU  88  -5.996 -12.853   0.003
 1014    HA   GLU  88           HA       GLU  88  -6.781 -15.504   0.375
 1015    HB2  GLU  88           HB2      GLU  88  -8.505 -13.022   0.256
 1016    HB3  GLU  88           HB3      GLU  88  -8.995 -14.564   0.930
 1017    HG2  GLU  88           HG2      GLU  88  -7.121 -14.349   2.571
 1018    HG3  GLU  88           HG3      GLU  88  -6.880 -12.708   1.968
 1019    H    PHE  89           H        PHE  89  -7.769 -13.159  -2.089
 1020    HA   PHE  89           HA       PHE  89  -9.466 -15.052  -3.441
 1021    HB2  PHE  89           HB2      PHE  89  -9.951 -12.613  -3.360
 1022    HB3  PHE  89           HB3      PHE  89  -8.514 -12.318  -4.330
 1023    HD1  PHE  89           HD2      PHE  89 -11.868 -13.850  -4.340
 1024    HD2  PHE  89           HD1      PHE  89  -8.551 -12.569  -6.682
 1025    HE1  PHE  89           HE2      PHE  89 -13.208 -14.125  -6.385
 1026    HE2  PHE  89           HE1      PHE  89  -9.888 -12.841  -8.729
 1027    HZ   PHE  89           HZ       PHE  89 -12.219 -13.620  -8.581
 1028    H    PHE  90           H        PHE  90  -6.198 -13.886  -3.721
 1029    HA   PHE  90           HA       PHE  90  -5.675 -14.713  -6.372
 1030    HB2  PHE  90           HB2      PHE  90  -4.291 -13.122  -4.967
 1031    HB3  PHE  90           HB3      PHE  90  -3.657 -14.533  -4.132
 1032    HD1  PHE  90           HD2      PHE  90  -3.828 -12.807  -7.381
 1033    HD2  PHE  90           HD1      PHE  90  -1.956 -15.870  -5.097
 1034    HE1  PHE  90           HE2      PHE  90  -2.095 -13.032  -9.112
 1035    HE2  PHE  90           HE1      PHE  90  -0.218 -16.098  -6.823
 1036    HZ   PHE  90           HZ       PHE  90  -0.287 -14.680  -8.833
 1037    H    GLU  91           H        GLU  91  -4.995 -16.289  -3.236
 1038    HA   GLU  91           HA       GLU  91  -4.214 -18.765  -4.422
 1039    HB2  GLU  91           HB2      GLU  91  -5.230 -18.153  -1.635
 1040    HB3  GLU  91           HB3      GLU  91  -4.541 -19.691  -2.134
 1041    HG2  GLU  91           HG2      GLU  91  -3.089 -17.054  -2.173
 1042    HG3  GLU  91           HG3      GLU  91  -2.955 -18.269  -0.903
 1043    H    GLY  92           H        GLY  92  -7.215 -17.419  -3.172
 1044    HA2  GLY  92           HA2      GLY  92  -9.291 -17.768  -4.208
 1045    HA3  GLY  92           HA3      GLY  92  -8.664 -19.242  -4.928
 1046    H    PHE  93           H        PHE  93  -8.564 -18.339  -1.498
 1047    HA   PHE  93           HA       PHE  93 -10.219 -20.680  -0.988
 1048    HB2  PHE  93           HB2      PHE  93  -9.414 -20.483   1.391
 1049    HB3  PHE  93           HB3      PHE  93  -8.198 -20.922   0.204
 1050    HD1  PHE  93           HD1      PHE  93  -6.463 -19.305  -0.440
 1051    HD2  PHE  93           HD2      PHE  93  -9.276 -18.460   2.636
 1052    HE1  PHE  93           HE1      PHE  93  -4.999 -17.517   0.403
 1053    HE2  PHE  93           HE2      PHE  93  -7.822 -16.666   3.480
 1054    HZ   PHE  93           HZ       PHE  93  -5.678 -16.195   2.365
 1055    HA   PRO  94           HA       PRO  94 -13.421 -17.713  -0.204
 1056    HB2  PRO  94           HB2      PRO  94 -15.193 -20.012  -0.137
 1057    HB3  PRO  94           HB3      PRO  94 -15.118 -18.707  -1.320
 1058    HG2  PRO  94           HG2      PRO  94 -14.393 -21.273  -1.877
 1059    HG3  PRO  94           HG3      PRO  94 -13.698 -19.861  -2.697
 1060    HD2  PRO  94           HD2      PRO  94 -12.566 -21.510  -0.469
 1061    HD3  PRO  94           HD3      PRO  94 -11.750 -20.819  -1.889
 1062    H    ASP  95           H        ASP  95 -12.765 -17.231   1.863
 1063    HA   ASP  95           HA       ASP  95 -13.203 -16.911   4.069
 1064    HB2  ASP  95           HB2      ASP  95 -15.380 -18.982   3.704
 1065    HB3  ASP  95           HB3      ASP  95 -15.158 -17.984   5.133
 1066    H    LYS  96           H        LYS  96 -11.179 -17.713   4.600
 1067    HA   LYS  96           HA       LYS  96 -10.914 -20.512   5.349
 1068    HB2  LYS  96           HB2      LYS  96  -8.983 -19.473   4.331
 1069    HB3  LYS  96           HB3      LYS  96  -9.017 -18.157   5.495
 1070    HG2  LYS  96           HG2      LYS  96  -8.503 -19.782   7.289
 1071    HG3  LYS  96           HG3      LYS  96  -8.368 -21.042   6.063
 1072    HD2  LYS  96           HD2      LYS  96  -6.714 -18.524   6.045
 1073    HD3  LYS  96           HD3      LYS  96  -6.196 -20.021   6.820
 1074    HE2  LYS  96           HE2      LYS  96  -6.846 -19.645   3.899
 1075    HE3  LYS  96           HE3      LYS  96  -5.240 -19.839   4.597
 1076    HZ1  LYS  96           HZ1      LYS  96  -5.851 -21.937   3.768
 1077    HZ2  LYS  96           HZ2      LYS  96  -7.408 -21.847   4.426
 1078    HZ3  LYS  96           HZ3      LYS  96  -6.069 -22.050   5.450
 1079    H    GLN  97           H        GLN  97 -10.751 -21.270   7.442
 1080    HA   GLN  97           HA       GLN  97 -11.815 -19.588   9.543
 1081    HB2  GLN  97           HB2      GLN  97 -12.406 -22.005   9.299
 1082    HB3  GLN  97           HB3      GLN  97 -10.739 -22.419   9.667
 1083    HG2  GLN  97           HG2      GLN  97 -12.209 -22.717  11.587
 1084    HG3  GLN  97           HG3      GLN  97 -10.969 -21.500  11.890
 1085   HE21  GLN  97          HE21      GLN  97 -11.561 -19.423  12.282
 1086   HE22  GLN  97          HE22      GLN  97 -13.207 -18.901  12.447
 1087    HA   PRO  98           HA       PRO  98  -7.568 -18.219  10.043
 1088    HB2  PRO  98           HB2      PRO  98  -8.073 -16.167  11.729
 1089    HB3  PRO  98           HB3      PRO  98  -8.415 -16.084   9.996
 1090    HG2  PRO  98           HG2      PRO  98 -10.283 -16.675  12.265
 1091    HG3  PRO  98           HG3      PRO  98 -10.521 -15.599  10.874
 1092    HD2  PRO  98           HD2      PRO  98 -11.559 -18.089  10.963
 1093    HD3  PRO  98           HD3      PRO  98 -11.012 -17.343   9.448
 1094    H    ARG  99           H        ARG  99  -5.988 -18.107  11.661
 1095    HA   ARG  99           HA       ARG  99  -6.326 -19.912  13.851
 1096    HB2  ARG  99           HB2      ARG  99  -4.086 -18.020  13.115
 1097    HB3  ARG  99           HB3      ARG  99  -4.011 -19.135  14.469
 1098    HG2  ARG  99           HG2      ARG  99  -4.179 -21.022  12.969
 1099    HG3  ARG  99           HG3      ARG  99  -4.361 -19.935  11.589
 1100    HD2  ARG  99           HD2      ARG  99  -2.062 -20.824  11.836
 1101    HD3  ARG  99           HD3      ARG  99  -2.143 -19.064  11.915
 1102    HE   ARG  99           HE       ARG  99  -2.018 -19.365  14.404
 1103   HH11  ARG  99          HH12      ARG  99  -0.700 -21.758  12.219
 1104   HH12  ARG  99          HH11      ARG  99   0.470 -22.347  13.364
 1105   HH21  ARG  99          HH22      ARG  99  -0.485 -20.099  15.904
 1106   HH22  ARG  99          HH21      ARG  99   0.596 -21.405  15.469
 1107    H    LYS 100           H        LYS 100  -6.265 -19.455  16.062
 1108    HA   LYS 100           HA       LYS 100  -7.287 -16.908  16.914
 1109    HB2  LYS 100           HB2      LYS 100  -6.189 -19.237  18.509
 1110    HB3  LYS 100           HB3      LYS 100  -7.021 -17.849  19.193
 1111    HG2  LYS 100           HG2      LYS 100  -9.060 -18.458  18.073
 1112    HG3  LYS 100           HG3      LYS 100  -8.243 -19.776  17.232
 1113    HD2  LYS 100           HD2      LYS 100  -9.540 -20.597  19.136
 1114    HD3  LYS 100           HD3      LYS 100  -7.815 -20.885  19.358
 1115    HE2  LYS 100           HE2      LYS 100  -8.780 -20.104  21.427
 1116    HE3  LYS 100           HE3      LYS 100  -7.690 -18.879  20.783
 1117    HZ1  LYS 100           HZ1      LYS 100  -9.749 -17.917  21.612
 1118    HZ2  LYS 100           HZ2      LYS 100 -10.652 -18.852  20.525
 1119    HZ3  LYS 100           HZ3      LYS 100  -9.591 -17.662  19.946
 1120    H    LYS 101           H        LYS 101  -4.295 -18.714  17.307
 1121    HA   LYS 101           HA       LYS 101  -2.558 -16.654  16.699
 1122    HB2  LYS 101           HB2      LYS 101  -3.413 -15.735  18.912
 1123    HB3  LYS 101           HB3      LYS 101  -2.636 -17.110  19.686
 1124    HG2  LYS 101           HG2      LYS 101  -1.221 -15.154  19.814
 1125    HG3  LYS 101           HG3      LYS 101  -0.474 -16.381  18.787
 1126    HD2  LYS 101           HD2      LYS 101  -1.317 -15.197  16.798
 1127    HD3  LYS 101           HD3      LYS 101  -1.999 -13.951  17.847
 1128    HE2  LYS 101           HE2      LYS 101   0.122 -13.211  16.939
 1129    HE3  LYS 101           HE3      LYS 101   0.256 -13.444  18.681
 1130    HZ1  LYS 101           HZ1      LYS 101   2.164 -14.341  17.454
 1131    HZ2  LYS 101           HZ2      LYS 101   1.134 -15.413  16.636
 1132    HZ3  LYS 101           HZ3      LYS 101   1.339 -15.543  18.318
 1133    H    MET   1           H1       MET   1  -3.709   1.829 -21.783
 1134    HA   MET   1           HA       MET   1  -2.432   0.879 -20.003
 1135    HB2  MET   1           HB2      MET   1  -4.757   2.584 -19.071
 1136    HB3  MET   1           HB3      MET   1  -3.324   2.263 -18.104
 1137    HG2  MET   1           HG2      MET   1  -1.931   3.434 -19.637
 1138    HG3  MET   1           HG3      MET   1  -3.241   3.571 -20.806
 1139    HE1  MET   1           HE1      MET   1  -3.550   4.035 -16.916
 1140    HE2  MET   1           HE2      MET   1  -1.952   4.698 -17.256
 1141    HE3  MET   1           HE3      MET   1  -3.259   5.765 -16.742
 1142    H    ALA   2           H        ALA   2  -2.845   0.285 -17.491
 1143    HA   ALA   2           HA       ALA   2  -4.646  -2.028 -17.548
 1144    HB1  ALA   2           HB1      ALA   2  -3.459  -2.757 -15.552
 1145    HB2  ALA   2           HB2      ALA   2  -2.304  -2.381 -16.835
 1146    HB3  ALA   2           HB3      ALA   2  -2.557  -1.243 -15.509
 1147    H    CYS   3           H        CYS   3  -5.843  -2.384 -15.386
 1148    HA   CYS   3           HA       CYS   3  -7.270  -0.024 -14.633
 1149    HB2  CYS   3           HB2      CYS   3  -7.286  -2.780 -13.375
 1150    HB3  CYS   3           HB3      CYS   3  -8.449  -1.495 -13.060
 1151    HG   CYS   3           HG       CYS   3  -8.987  -3.845 -15.001
 1152    HA   PRO   4           HA       PRO   4  -3.692   1.303 -12.415
 1153    HB2  PRO   4           HB2      PRO   4  -5.776   3.098 -11.262
 1154    HB3  PRO   4           HB3      PRO   4  -4.170   3.511 -11.875
 1155    HG2  PRO   4           HG2      PRO   4  -6.255   4.011 -13.377
 1156    HG3  PRO   4           HG3      PRO   4  -4.845   3.218 -14.116
 1157    HD2  PRO   4           HD2      PRO   4  -7.444   2.020 -13.229
 1158    HD3  PRO   4           HD3      PRO   4  -6.496   1.695 -14.695
 1159    H    LEU   5           H        LEU   5  -6.611   1.563 -10.384
 1160    HA   LEU   5           HA       LEU   5  -5.139   1.095  -8.004
 1161    HB2  LEU   5           HB2      LEU   5  -7.534   2.218  -8.555
 1162    HB3  LEU   5           HB3      LEU   5  -8.062   0.642  -8.001
 1163    HG   LEU   5           HG       LEU   5  -8.084   2.338  -6.218
 1164   HD11  LEU   5          HD11      LEU   5  -6.070   0.148  -5.823
 1165   HD12  LEU   5          HD12      LEU   5  -6.892   1.044  -4.545
 1166   HD13  LEU   5          HD13      LEU   5  -7.819   0.008  -5.634
 1167   HD21  LEU   5          HD21      LEU   5  -6.189   3.679  -6.962
 1168   HD22  LEU   5          HD22      LEU   5  -6.005   3.160  -5.285
 1169   HD23  LEU   5          HD23      LEU   5  -5.094   2.354  -6.563
 1170    H    GLU   6           H        GLU   6  -7.018  -0.925 -10.168
 1171    HA   GLU   6           HA       GLU   6  -7.257  -3.221  -8.590
 1172    HB2  GLU   6           HB2      GLU   6  -8.443  -3.007 -10.701
 1173    HB3  GLU   6           HB3      GLU   6  -6.919  -2.975 -11.582
 1174    HG2  GLU   6           HG2      GLU   6  -6.507  -5.287 -10.542
 1175    HG3  GLU   6           HG3      GLU   6  -8.234  -5.272 -10.186
 1176    H    LYS   7           H        LYS   7  -4.768  -2.313 -10.947
 1177    HA   LYS   7           HA       LYS   7  -3.208  -4.608 -10.694
 1178    HB2  LYS   7           HB2      LYS   7  -2.571  -1.810 -11.623
 1179    HB3  LYS   7           HB3      LYS   7  -1.343  -3.075 -11.583
 1180    HG2  LYS   7           HG2      LYS   7  -3.947  -3.477 -13.010
 1181    HG3  LYS   7           HG3      LYS   7  -2.601  -2.634 -13.773
 1182    HD2  LYS   7           HD2      LYS   7  -2.403  -4.874 -14.463
 1183    HD3  LYS   7           HD3      LYS   7  -1.191  -4.667 -13.200
 1184    HE2  LYS   7           HE2      LYS   7  -2.215  -6.734 -12.752
 1185    HE3  LYS   7           HE3      LYS   7  -2.913  -5.606 -11.593
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.884  -5.438 -12.962
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.575  -7.067 -12.615
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.192  -6.441 -14.141
 1189    H    ALA   8           H        ALA   8  -3.270  -1.666  -8.798
 1190    HA   ALA   8           HA       ALA   8  -0.899  -1.778  -7.437
 1191    HB1  ALA   8           HB1      ALA   8  -2.007  -0.629  -5.598
 1192    HB2  ALA   8           HB2      ALA   8  -2.529   0.015  -7.156
 1193    HB3  ALA   8           HB3      ALA   8  -3.581  -1.075  -6.255
 1194    H    LEU   9           H        LEU   9  -3.907  -3.494  -6.463
 1195    HA   LEU   9           HA       LEU   9  -2.535  -4.774  -4.279
 1196    HB2  LEU   9           HB2      LEU   9  -5.229  -5.562  -5.397
 1197    HB3  LEU   9           HB3      LEU   9  -4.573  -5.975  -3.839
 1198    HG   LEU   9           HG       LEU   9  -6.117  -4.333  -3.331
 1199   HD11  LEU   9          HD11      LEU   9  -3.995  -3.844  -2.300
 1200   HD12  LEU   9          HD12      LEU   9  -3.527  -2.860  -3.688
 1201   HD13  LEU   9          HD13      LEU   9  -4.874  -2.359  -2.664
 1202   HD21  LEU   9          HD21      LEU   9  -5.131  -2.657  -5.625
 1203   HD22  LEU   9          HD22      LEU   9  -6.598  -3.637  -5.635
 1204   HD23  LEU   9          HD23      LEU   9  -6.457  -2.274  -4.527
 1205    H    ASP  10           H        ASP  10  -3.553  -5.680  -7.512
 1206    HA   ASP  10           HA       ASP  10  -3.065  -8.430  -7.408
 1207    HB2  ASP  10           HB2      ASP  10  -4.234  -7.503  -9.285
 1208    HB3  ASP  10           HB3      ASP  10  -2.876  -6.462  -9.692
 1209    H    VAL  11           H        VAL  11  -0.904  -5.765  -8.290
 1210    HA   VAL  11           HA       VAL  11   1.280  -7.515  -8.886
 1211    HB   VAL  11           HB       VAL  11   2.587  -5.558  -9.268
 1212   HG11  VAL  11          HG11      VAL  11  -0.255  -5.053 -10.144
 1213   HG12  VAL  11          HG12      VAL  11   1.195  -4.377 -10.881
 1214   HG13  VAL  11          HG13      VAL  11   0.902  -6.115 -10.951
 1215   HG21  VAL  11          HG21      VAL  11   1.802  -3.303  -8.711
 1216   HG22  VAL  11          HG22      VAL  11   0.391  -3.992  -7.911
 1217   HG23  VAL  11          HG23      VAL  11   2.004  -4.294  -7.266
 1218    H    MET  12           H        MET  12   0.082  -6.023  -6.030
 1219    HA   MET  12           HA       MET  12   2.398  -5.883  -4.466
 1220    HB2  MET  12           HB2      MET  12  -0.508  -6.203  -3.895
 1221    HB3  MET  12           HB3      MET  12   0.643  -6.446  -2.585
 1222    HG2  MET  12           HG2      MET  12   1.414  -4.252  -2.695
 1223    HG3  MET  12           HG3      MET  12   0.720  -3.994  -4.295
 1224    HE1  MET  12           HE1      MET  12   0.023  -1.629  -2.949
 1225    HE2  MET  12           HE2      MET  12  -1.121  -1.648  -1.590
 1226    HE3  MET  12           HE3      MET  12   0.507  -2.307  -1.386
 1227    H    VAL  13           H        VAL  13   0.170  -8.586  -5.038
 1228    HA   VAL  13           HA       VAL  13   1.909 -10.337  -3.500
 1229    HB   VAL  13           HB       VAL  13   0.235 -12.110  -4.003
 1230   HG11  VAL  13          HG11      VAL  13  -0.844  -9.575  -2.775
 1231   HG12  VAL  13          HG12      VAL  13  -1.504 -11.194  -2.541
 1232   HG13  VAL  13          HG13      VAL  13   0.114 -10.808  -1.953
 1233   HG21  VAL  13          HG21      VAL  13  -0.636 -11.264  -6.109
 1234   HG22  VAL  13          HG22      VAL  13  -1.939 -11.445  -4.932
 1235   HG23  VAL  13          HG23      VAL  13  -1.288  -9.844  -5.289
 1236    H    SER  14           H        SER  14   1.195  -9.583  -6.821
 1237    HA   SER  14           HA       SER  14   2.318 -11.943  -7.948
 1238    HB2  SER  14           HB2      SER  14   0.709 -10.430  -9.129
 1239    HB3  SER  14           HB3      SER  14   1.995  -9.231  -9.254
 1240    HG   SER  14           HG       SER  14   1.789 -11.764 -10.487
 1241    H    THR  15           H        THR  15   3.568  -8.597  -7.750
 1242    HA   THR  15           HA       THR  15   6.173  -9.213  -8.663
 1243    HB   THR  15           HB       THR  15   5.488  -6.921  -6.815
 1244    HG1  THR  15           HG1      THR  15   4.045  -6.436  -8.292
 1245   HG21  THR  15          HG21      THR  15   7.867  -7.213  -7.434
 1246   HG22  THR  15          HG22      THR  15   7.186  -5.722  -8.093
 1247   HG23  THR  15          HG23      THR  15   7.411  -7.125  -9.137
 1248    H    PHE  16           H        PHE  16   4.602  -9.277  -5.577
 1249    HA   PHE  16           HA       PHE  16   6.627  -9.452  -3.736
 1250    HB2  PHE  16           HB2      PHE  16   4.227  -9.451  -3.216
 1251    HB3  PHE  16           HB3      PHE  16   4.073 -11.068  -3.880
 1252    HD1  PHE  16           HD2      PHE  16   5.777  -9.154  -1.195
 1253    HD2  PHE  16           HD1      PHE  16   4.272 -12.904  -2.508
 1254    HE1  PHE  16           HE2      PHE  16   6.171 -10.092   1.046
 1255    HE2  PHE  16           HE1      PHE  16   4.655 -13.847  -0.271
 1256    HZ   PHE  16           HZ       PHE  16   5.608 -12.441   1.507
 1257    H    HIS  17           H        HIS  17   5.050 -12.288  -5.210
 1258    HA   HIS  17           HA       HIS  17   6.966 -14.129  -4.258
 1259    HB2  HIS  17           HB2      HIS  17   5.033 -14.440  -6.564
 1260    HB3  HIS  17           HB3      HIS  17   5.903 -15.749  -5.781
 1261    HD1  HIS  17           HD1      HIS  17   5.384 -15.204  -2.845
 1262    HD2  HIS  17           HD2      HIS  17   2.478 -14.766  -5.789
 1263    HE1  HIS  17           HE1      HIS  17   3.175 -15.455  -1.666
 1264    HE2  HIS  17           HE2      HIS  17   1.456 -15.434  -3.506
 1265    H    LYS  18           H        LYS  18   6.915 -12.125  -7.094
 1266    HA   LYS  18           HA       LYS  18   8.418 -13.730  -8.838
 1267    HB2  LYS  18           HB2      LYS  18   7.132 -11.671  -9.477
 1268    HB3  LYS  18           HB3      LYS  18   8.431 -10.710  -8.777
 1269    HG2  LYS  18           HG2      LYS  18   9.924 -12.142 -10.394
 1270    HG3  LYS  18           HG3      LYS  18   8.413 -12.358 -11.260
 1271    HD2  LYS  18           HD2      LYS  18   9.704  -9.725 -10.557
 1272    HD3  LYS  18           HD3      LYS  18   9.690 -10.485 -12.148
 1273    HE2  LYS  18           HE2      LYS  18   7.287 -10.326 -12.223
 1274    HE3  LYS  18           HE3      LYS  18   7.254  -9.617 -10.614
 1275    HZ1  LYS  18           HZ1      LYS  18   8.541  -7.737 -11.478
 1276    HZ2  LYS  18           HZ2      LYS  18   7.058  -7.903 -12.271
 1277    HZ3  LYS  18           HZ3      LYS  18   8.487  -8.408 -13.034
 1278    H    TYR  19           H        TYR  19   9.471 -11.282  -6.482
 1279    HA   TYR  19           HA       TYR  19  12.246 -11.760  -7.301
 1280    HB2  TYR  19           HB2      TYR  19  11.050  -9.575  -5.591
 1281    HB3  TYR  19           HB3      TYR  19  12.762  -9.724  -5.976
 1282    HD1  TYR  19           HD1      TYR  19  13.577  -9.251  -8.227
 1283    HD2  TYR  19           HD2      TYR  19   9.457  -8.856  -7.260
 1284    HE1  TYR  19           HE1      TYR  19  13.212  -7.997 -10.312
 1285    HE2  TYR  19           HE2      TYR  19   9.088  -7.603  -9.337
 1286    HH   TYR  19           HH       TYR  19  10.308  -6.282 -10.947
 1287    H    SER  20           H        SER  20  10.097 -12.283  -4.620
 1288    HA   SER  20           HA       SER  20  12.145 -12.710  -2.683
 1289    HB2  SER  20           HB2      SER  20  10.242 -13.857  -1.429
 1290    HB3  SER  20           HB3      SER  20   9.994 -12.161  -1.848
 1291    HG   SER  20           HG       SER  20   8.483 -12.702  -3.238
 1292    H    GLY  21           H        GLY  21  10.499 -14.699  -5.034
 1293    HA2  GLY  21           HA2      GLY  21  11.595 -17.163  -3.991
 1294    HA3  GLY  21           HA3      GLY  21  10.635 -16.980  -5.451
 1295    H    LYS  22           H        LYS  22  13.543 -15.154  -4.700
 1296    HA   LYS  22           HA       LYS  22  14.842 -16.441  -7.005
 1297    HB2  LYS  22           HB2      LYS  22  15.056 -13.671  -5.847
 1298    HB3  LYS  22           HB3      LYS  22  16.306 -14.316  -6.906
 1299    HG2  LYS  22           HG2      LYS  22  14.742 -14.547  -8.704
 1300    HG3  LYS  22           HG3      LYS  22  13.396 -14.127  -7.644
 1301    HD2  LYS  22           HD2      LYS  22  14.318 -11.894  -7.332
 1302    HD3  LYS  22           HD3      LYS  22  15.693 -12.307  -8.358
 1303    HE2  LYS  22           HE2      LYS  22  12.839 -12.430  -9.299
 1304    HE3  LYS  22           HE3      LYS  22  13.842 -10.991  -9.461
 1305    HZ1  LYS  22           HZ1      LYS  22  14.417 -13.660 -10.633
 1306    HZ2  LYS  22           HZ2      LYS  22  15.414 -12.293 -10.767
 1307    HZ3  LYS  22           HZ3      LYS  22  13.871 -12.291 -11.475
 1308    H    GLU  23           H        GLU  23  15.807 -14.797  -3.982
 1309    HA   GLU  23           HA       GLU  23  17.921 -16.834  -3.703
 1310    HB2  GLU  23           HB2      GLU  23  17.720 -14.018  -2.647
 1311    HB3  GLU  23           HB3      GLU  23  18.946 -15.156  -2.108
 1312    HG2  GLU  23           HG2      GLU  23  19.803 -15.335  -4.371
 1313    HG3  GLU  23           HG3      GLU  23  18.544 -14.244  -4.947
 1314    H    GLY  24           H        GLY  24  14.973 -15.757  -2.343
 1315    HA2  GLY  24           HA2      GLY  24  15.513 -17.436   0.027
 1316    HA3  GLY  24           HA3      GLY  24  14.637 -15.917   0.152
 1317    H    ASP  25           H        ASP  25  12.812 -16.924   1.003
 1318    HA   ASP  25           HA       ASP  25  11.396 -18.878  -0.619
 1319    HB2  ASP  25           HB2      ASP  25  11.334 -19.084   1.838
 1320    HB3  ASP  25           HB3      ASP  25  10.580 -17.495   1.952
 1321    H    LYS  26           H        LYS  26   9.299 -18.480  -1.522
 1322    HA   LYS  26           HA       LYS  26   9.222 -15.993  -2.876
 1323    HB2  LYS  26           HB2      LYS  26   7.614 -16.912  -4.211
 1324    HB3  LYS  26           HB3      LYS  26   8.324 -18.380  -3.562
 1325    HG2  LYS  26           HG2      LYS  26   5.821 -17.050  -2.547
 1326    HG3  LYS  26           HG3      LYS  26   5.872 -18.431  -3.638
 1327    HD2  LYS  26           HD2      LYS  26   6.820 -19.824  -1.955
 1328    HD3  LYS  26           HD3      LYS  26   7.098 -18.444  -0.886
 1329    HE2  LYS  26           HE2      LYS  26   4.704 -18.090  -0.686
 1330    HE3  LYS  26           HE3      LYS  26   4.395 -19.413  -1.806
 1331    HZ1  LYS  26           HZ1      LYS  26   5.736 -19.715   0.826
 1332    HZ2  LYS  26           HZ2      LYS  26   5.297 -20.963  -0.235
 1333    HZ3  LYS  26           HZ3      LYS  26   4.100 -20.039   0.528
 1334    H    PHE  27           H        PHE  27   8.276 -16.666   0.213
 1335    HA   PHE  27           HA       PHE  27   6.222 -14.555   0.192
 1336    HB2  PHE  27           HB2      PHE  27   6.032 -17.054   1.204
 1337    HB3  PHE  27           HB3      PHE  27   6.690 -16.214   2.605
 1338    HD1  PHE  27           HD2      PHE  27   5.451 -14.302   3.576
 1339    HD2  PHE  27           HD1      PHE  27   3.840 -16.793   0.537
 1340    HE1  PHE  27           HE2      PHE  27   3.189 -13.504   4.141
 1341    HE2  PHE  27           HE1      PHE  27   1.563 -16.009   1.093
 1342    HZ   PHE  27           HZ       PHE  27   1.241 -14.360   2.898
 1343    H    LYS  28           H        LYS  28   9.447 -14.885   0.661
 1344    HA   LYS  28           HA       LYS  28   9.434 -12.752   2.681
 1345    HB2  LYS  28           HB2      LYS  28  11.326 -15.106   2.581
 1346    HB3  LYS  28           HB3      LYS  28  11.535 -13.705   3.619
 1347    HG2  LYS  28           HG2      LYS  28   9.237 -15.645   3.714
 1348    HG3  LYS  28           HG3      LYS  28  10.595 -15.581   4.839
 1349    HD2  LYS  28           HD2      LYS  28   9.905 -13.218   5.368
 1350    HD3  LYS  28           HD3      LYS  28   8.441 -13.519   4.428
 1351    HE2  LYS  28           HE2      LYS  28   7.982 -13.874   6.768
 1352    HE3  LYS  28           HE3      LYS  28   7.909 -15.412   5.908
 1353    HZ1  LYS  28           HZ1      LYS  28  10.100 -15.959   6.710
 1354    HZ2  LYS  28           HZ2      LYS  28   9.109 -15.565   8.025
 1355    HZ3  LYS  28           HZ3      LYS  28  10.247 -14.449   7.467
 1356    H    LEU  29           H        LEU  29  10.248 -10.988   1.816
 1357    HA   LEU  29           HA       LEU  29  12.364 -11.278  -0.193
 1358    HB2  LEU  29           HB2      LEU  29  10.630  -8.919   0.521
 1359    HB3  LEU  29           HB3      LEU  29  12.019  -8.802  -0.542
 1360    HG   LEU  29           HG       LEU  29  10.725 -10.757  -1.809
 1361   HD11  LEU  29          HD11      LEU  29   8.906 -10.832  -0.181
 1362   HD12  LEU  29          HD12      LEU  29   8.539  -9.142  -0.526
 1363   HD13  LEU  29          HD13      LEU  29   8.334 -10.362  -1.784
 1364   HD21  LEU  29          HD21      LEU  29  10.084  -7.823  -2.038
 1365   HD22  LEU  29          HD22      LEU  29  11.454  -8.650  -2.780
 1366   HD23  LEU  29          HD23      LEU  29   9.809  -9.040  -3.285
 1367    H    ASN  30           H        ASN  30  14.255 -11.505   0.848
 1368    HA   ASN  30           HA       ASN  30  14.960  -9.847   3.086
 1369    HB2  ASN  30           HB2      ASN  30  17.118 -10.859   2.995
 1370    HB3  ASN  30           HB3      ASN  30  15.969 -12.131   2.605
 1371   HD21  ASN  30          HD21      ASN  30  15.936 -12.990   0.558
 1372   HD22  ASN  30          HD22      ASN  30  17.170 -12.652  -0.609
 1373    H    LYS  31           H        LYS  31  17.394  -8.780   2.576
 1374    HA   LYS  31           HA       LYS  31  16.827  -6.348   1.437
 1375    HB2  LYS  31           HB2      LYS  31  19.511  -7.740   1.586
 1376    HB3  LYS  31           HB3      LYS  31  19.300  -6.036   1.208
 1377    HG2  LYS  31           HG2      LYS  31  18.210  -5.739   3.407
 1378    HG3  LYS  31           HG3      LYS  31  18.591  -7.420   3.776
 1379    HD2  LYS  31           HD2      LYS  31  20.710  -5.443   2.983
 1380    HD3  LYS  31           HD3      LYS  31  20.174  -5.623   4.648
 1381    HE2  LYS  31           HE2      LYS  31  22.120  -6.955   4.397
 1382    HE3  LYS  31           HE3      LYS  31  20.749  -8.054   4.486
 1383    HZ1  LYS  31           HZ1      LYS  31  20.853  -8.424   2.155
 1384    HZ2  LYS  31           HZ2      LYS  31  22.429  -8.595   2.749
 1385    HZ3  LYS  31           HZ3      LYS  31  21.984  -7.183   1.930
 1386    H    SER  32           H        SER  32  18.442  -9.098  -0.107
 1387    HA   SER  32           HA       SER  32  19.042  -7.794  -2.525
 1388    HB2  SER  32           HB2      SER  32  20.042  -9.952  -1.582
 1389    HB3  SER  32           HB3      SER  32  18.630 -10.767  -2.253
 1390    HG   SER  32           HG       SER  32  19.927 -10.872  -3.930
 1391    H    GLU  33           H        GLU  33  16.235  -9.728  -1.552
 1392    HA   GLU  33           HA       GLU  33  15.138  -9.979  -4.160
 1393    HB2  GLU  33           HB2      GLU  33  13.464  -9.978  -1.662
 1394    HB3  GLU  33           HB3      GLU  33  13.217 -10.883  -3.144
 1395    HG2  GLU  33           HG2      GLU  33  15.308 -11.386  -1.046
 1396    HG3  GLU  33           HG3      GLU  33  13.880 -12.360  -1.380
 1397    H    LEU  34           H        LEU  34  14.458  -7.825  -1.424
 1398    HA   LEU  34           HA       LEU  34  12.480  -6.279  -2.671
 1399    HB2  LEU  34           HB2      LEU  34  14.340  -5.881  -0.378
 1400    HB3  LEU  34           HB3      LEU  34  13.478  -4.491  -1.006
 1401    HG   LEU  34           HG       LEU  34  12.100  -7.002  -0.077
 1402   HD11  LEU  34          HD11      LEU  34  11.548  -5.717   1.938
 1403   HD12  LEU  34          HD12      LEU  34  13.285  -5.980   1.785
 1404   HD13  LEU  34          HD13      LEU  34  12.592  -4.407   1.381
 1405   HD21  LEU  34          HD21      LEU  34  10.821  -5.689  -1.657
 1406   HD22  LEU  34          HD22      LEU  34  10.141  -5.507  -0.039
 1407   HD23  LEU  34          HD23      LEU  34  11.134  -4.220  -0.730
 1408    H    LYS  35           H        LYS  35  15.997  -5.917  -2.557
 1409    HA   LYS  35           HA       LYS  35  16.187  -3.407  -3.704
 1410    HB2  LYS  35           HB2      LYS  35  18.114  -4.608  -2.737
 1411    HB3  LYS  35           HB3      LYS  35  18.114  -5.697  -4.121
 1412    HG2  LYS  35           HG2      LYS  35  18.809  -4.041  -5.596
 1413    HG3  LYS  35           HG3      LYS  35  18.332  -2.736  -4.498
 1414    HD2  LYS  35           HD2      LYS  35  20.700  -2.827  -4.410
 1415    HD3  LYS  35           HD3      LYS  35  20.121  -3.564  -2.915
 1416    HE2  LYS  35           HE2      LYS  35  20.398  -5.789  -3.967
 1417    HE3  LYS  35           HE3      LYS  35  21.083  -4.989  -5.377
 1418    HZ1  LYS  35           HZ1      LYS  35  22.198  -4.899  -2.627
 1419    HZ2  LYS  35           HZ2      LYS  35  22.851  -4.110  -3.980
 1420    HZ3  LYS  35           HZ3      LYS  35  22.819  -5.804  -3.919
 1421    H    GLU  36           H        GLU  36  16.296  -6.555  -5.377
 1422    HA   GLU  36           HA       GLU  36  16.519  -5.433  -7.940
 1423    HB2  GLU  36           HB2      GLU  36  16.824  -7.893  -7.206
 1424    HB3  GLU  36           HB3      GLU  36  15.081  -8.006  -7.449
 1425    HG2  GLU  36           HG2      GLU  36  15.376  -7.193  -9.738
 1426    HG3  GLU  36           HG3      GLU  36  17.112  -7.186  -9.503
 1427    H    LEU  37           H        LEU  37  13.730  -6.393  -6.022
 1428    HA   LEU  37           HA       LEU  37  11.680  -5.965  -7.837
 1429    HB2  LEU  37           HB2      LEU  37  11.578  -6.866  -5.456
 1430    HB3  LEU  37           HB3      LEU  37  11.581  -5.192  -4.932
 1431    HG   LEU  37           HG       LEU  37   9.496  -5.908  -6.899
 1432   HD11  LEU  37          HD11      LEU  37   9.415  -6.879  -4.045
 1433   HD12  LEU  37          HD12      LEU  37   8.074  -6.917  -5.189
 1434   HD13  LEU  37          HD13      LEU  37   9.510  -7.896  -5.484
 1435   HD21  LEU  37          HD21      LEU  37   9.548  -4.346  -4.320
 1436   HD22  LEU  37          HD22      LEU  37   9.616  -3.681  -5.951
 1437   HD23  LEU  37          HD23      LEU  37   8.155  -4.494  -5.391
 1438    H    LEU  38           H        LEU  38  13.130  -3.648  -5.564
 1439    HA   LEU  38           HA       LEU  38  11.657  -1.430  -6.532
 1440    HB2  LEU  38           HB2      LEU  38  14.043  -1.739  -4.757
 1441    HB3  LEU  38           HB3      LEU  38  13.578  -0.146  -5.324
 1442    HG   LEU  38           HG       LEU  38  11.234  -1.355  -4.300
 1443   HD11  LEU  38          HD11      LEU  38  12.640  -2.955  -3.133
 1444   HD12  LEU  38          HD12      LEU  38  13.579  -1.637  -2.432
 1445   HD13  LEU  38          HD13      LEU  38  11.881  -1.837  -2.000
 1446   HD21  LEU  38          HD21      LEU  38  11.365   0.476  -2.677
 1447   HD22  LEU  38          HD22      LEU  38  13.043   0.772  -3.135
 1448   HD23  LEU  38          HD23      LEU  38  11.746   1.036  -4.304
 1449    H    THR  39           H        THR  39  14.909  -2.676  -7.308
 1450    HA   THR  39           HA       THR  39  15.716  -0.472  -8.865
 1451    HB   THR  39           HB       THR  39  17.338  -1.968  -9.950
 1452    HG1  THR  39           HG1      THR  39  15.588  -3.896  -9.016
 1453   HG21  THR  39          HG21      THR  39  17.829  -1.072  -7.718
 1454   HG22  THR  39          HG22      THR  39  18.552  -2.662  -7.967
 1455   HG23  THR  39          HG23      THR  39  17.088  -2.504  -6.995
 1456    H    ARG  40           H        ARG  40  13.580  -3.102  -9.567
 1457    HA   ARG  40           HA       ARG  40  13.715  -2.688 -12.433
 1458    HB2  ARG  40           HB2      ARG  40  12.127  -4.583 -10.713
 1459    HB3  ARG  40           HB3      ARG  40  11.982  -4.516 -12.465
 1460    HG2  ARG  40           HG2      ARG  40  14.487  -5.171 -10.923
 1461    HG3  ARG  40           HG3      ARG  40  13.440  -6.331 -11.742
 1462    HD2  ARG  40           HD2      ARG  40  14.995  -4.100 -13.043
 1463    HD3  ARG  40           HD3      ARG  40  15.397  -5.815 -13.093
 1464    HE   ARG  40           HE       ARG  40  12.777  -5.433 -14.073
 1465   HH11  ARG  40          HH12      ARG  40  16.121  -4.908 -14.955
 1466   HH12  ARG  40          HH11      ARG  40  15.820  -4.959 -16.666
 1467   HH21  ARG  40          HH22      ARG  40  12.365  -5.496 -16.320
 1468   HH22  ARG  40          HH21      ARG  40  13.677  -5.286 -17.443
 1469    H    GLU  41           H        GLU  41  11.101  -2.627  -9.976
 1470    HA   GLU  41           HA       GLU  41   9.501  -1.143 -11.920
 1471    HB2  GLU  41           HB2      GLU  41   8.813  -2.899  -9.616
 1472    HB3  GLU  41           HB3      GLU  41   7.683  -1.625 -10.061
 1473    HG2  GLU  41           HG2      GLU  41   6.944  -3.503 -11.236
 1474    HG3  GLU  41           HG3      GLU  41   7.809  -2.540 -12.419
 1475    H    LEU  42           H        LEU  42  11.192  -0.577  -8.949
 1476    HA   LEU  42           HA       LEU  42   9.721   1.982  -8.726
 1477    HB2  LEU  42           HB2      LEU  42  11.066   0.499  -6.469
 1478    HB3  LEU  42           HB3      LEU  42  10.156   1.988  -6.338
 1479    HG   LEU  42           HG       LEU  42   8.199   0.508  -7.304
 1480   HD11  LEU  42          HD11      LEU  42   9.952  -1.411  -7.471
 1481   HD12  LEU  42          HD12      LEU  42   9.610  -1.604  -5.750
 1482   HD13  LEU  42          HD13      LEU  42   8.305  -1.752  -6.932
 1483   HD21  LEU  42          HD21      LEU  42   9.168   0.349  -4.452
 1484   HD22  LEU  42          HD22      LEU  42   8.188   1.640  -5.145
 1485   HD23  LEU  42          HD23      LEU  42   7.528   0.011  -5.001
 1486    HA   PRO  43           HA       PRO  43  14.471   2.506  -9.193
 1487    HB2  PRO  43           HB2      PRO  43  13.934   3.849 -11.736
 1488    HB3  PRO  43           HB3      PRO  43  15.063   2.541 -11.388
 1489    HG2  PRO  43           HG2      PRO  43  12.834   2.148 -12.844
 1490    HG3  PRO  43           HG3      PRO  43  13.490   0.902 -11.768
 1491    HD2  PRO  43           HD2      PRO  43  11.198   2.776 -11.320
 1492    HD3  PRO  43           HD3      PRO  43  11.335   1.049 -10.922
 1493    H    SER  44           H        SER  44  11.727   4.529  -9.940
 1494    HA   SER  44           HA       SER  44  12.981   7.040  -9.505
 1495    HB2  SER  44           HB2      SER  44  10.060   6.304  -9.206
 1496    HB3  SER  44           HB3      SER  44  10.717   7.921  -9.458
 1497    HG   SER  44           HG       SER  44  10.496   7.504 -11.492
 1498    H    PHE  45           H        PHE  45  11.397   4.672  -7.490
 1499    HA   PHE  45           HA       PHE  45  11.110   6.432  -5.223
 1500    HB2  PHE  45           HB2      PHE  45  10.662   3.449  -5.480
 1501    HB3  PHE  45           HB3      PHE  45  10.226   4.430  -4.087
 1502    HD1  PHE  45           HD2      PHE  45   8.642   6.421  -4.571
 1503    HD2  PHE  45           HD1      PHE  45   9.106   3.058  -7.119
 1504    HE1  PHE  45           HE2      PHE  45   6.431   6.861  -5.536
 1505    HE2  PHE  45           HE1      PHE  45   6.899   3.489  -8.107
 1506    HZ   PHE  45           HZ       PHE  45   5.556   5.386  -7.317
 1507    H    LEU  46           H        LEU  46  13.822   5.487  -6.389
 1508    HA   LEU  46           HA       LEU  46  14.913   4.553  -3.840
 1509    HB2  LEU  46           HB2      LEU  46  16.381   4.858  -6.459
 1510    HB3  LEU  46           HB3      LEU  46  16.947   4.034  -5.018
 1511    HG   LEU  46           HG       LEU  46  14.880   3.144  -7.000
 1512   HD11  LEU  46          HD11      LEU  46  17.305   1.816  -5.818
 1513   HD12  LEU  46          HD12      LEU  46  16.213   1.098  -7.000
 1514   HD13  LEU  46          HD13      LEU  46  17.171   2.514  -7.431
 1515   HD21  LEU  46          HD21      LEU  46  15.167   2.212  -4.147
 1516   HD22  LEU  46          HD22      LEU  46  13.723   2.766  -4.991
 1517   HD23  LEU  46          HD23      LEU  46  14.445   1.217  -5.414
 1518    H    GLY  47           H        GLY  47  14.606   7.257  -5.886
 1519    HA2  GLY  47           HA2      GLY  47  15.055   9.474  -5.590
 1520    HA3  GLY  47           HA3      GLY  47  15.452   9.095  -3.926
 1521    H    LYS  48           H        LYS  48  17.677   7.362  -4.486
 1522    HA   LYS  48           HA       LYS  48  19.479   8.858  -6.206
 1523    HB2  LYS  48           HB2      LYS  48  21.192   8.856  -4.227
 1524    HB3  LYS  48           HB3      LYS  48  20.021  10.152  -4.388
 1525    HG2  LYS  48           HG2      LYS  48  20.209   9.461  -2.082
 1526    HG3  LYS  48           HG3      LYS  48  18.605   9.078  -2.704
 1527    HD2  LYS  48           HD2      LYS  48  19.184   6.759  -2.928
 1528    HD3  LYS  48           HD3      LYS  48  20.869   7.096  -2.523
 1529    HE2  LYS  48           HE2      LYS  48  18.603   7.700  -0.645
 1530    HE3  LYS  48           HE3      LYS  48  19.406   6.131  -0.679
 1531    HZ1  LYS  48           HZ1      LYS  48  20.312   7.662   1.004
 1532    HZ2  LYS  48           HZ2      LYS  48  20.805   8.714  -0.232
 1533    HZ3  LYS  48           HZ3      LYS  48  21.473   7.160  -0.122
 1534    H    ARG  49           H        ARG  49  18.309   6.141  -5.961
 1535    HA   ARG  49           HA       ARG  49  18.914   4.041  -6.565
 1536    HB2  ARG  49           HB2      ARG  49  20.635   5.191  -7.965
 1537    HB3  ARG  49           HB3      ARG  49  21.762   5.043  -6.627
 1538    HG2  ARG  49           HG2      ARG  49  22.178   3.322  -8.259
 1539    HG3  ARG  49           HG3      ARG  49  21.585   2.599  -6.763
 1540    HD2  ARG  49           HD2      ARG  49  20.575   1.612  -8.795
 1541    HD3  ARG  49           HD3      ARG  49  19.387   2.331  -7.708
 1542    HE   ARG  49           HE       ARG  49  19.888   4.343  -9.438
 1543   HH11  ARG  49          HH12      ARG  49  19.174   0.958  -9.973
 1544   HH12  ARG  49          HH11      ARG  49  18.237   1.243 -11.410
 1545   HH21  ARG  49          HH22      ARG  49  18.673   4.723 -11.341
 1546   HH22  ARG  49          HH21      ARG  49  17.990   3.382 -12.212
 1547    H    THR  50           H        THR  50  19.431   2.145  -5.532
 1548    HA   THR  50           HA       THR  50  19.820   2.388  -2.705
 1549    HB   THR  50           HB       THR  50  19.580  -0.139  -2.804
 1550    HG1  THR  50           HG1      THR  50  20.191  -0.462  -4.969
 1551   HG21  THR  50          HG21      THR  50  17.172  -0.028  -3.252
 1552   HG22  THR  50          HG22      THR  50  17.386   1.550  -4.012
 1553   HG23  THR  50          HG23      THR  50  17.705   1.351  -2.288
 1554    H    ASP  51           H        ASP  51  21.708   2.332  -1.700
 1555    HA   ASP  51           HA       ASP  51  23.988   0.971  -2.961
 1556    HB2  ASP  51           HB2      ASP  51  23.883   2.988  -0.702
 1557    HB3  ASP  51           HB3      ASP  51  25.351   2.161  -1.211
 1558    H    GLU  52           H        GLU  52  25.291  -0.450  -1.636
 1559    HA   GLU  52           HA       GLU  52  23.723  -2.316  -0.225
 1560    HB2  GLU  52           HB2      GLU  52  26.727  -2.003  -0.279
 1561    HB3  GLU  52           HB3      GLU  52  25.866  -3.411   0.328
 1562    HG2  GLU  52           HG2      GLU  52  24.895  -3.724  -1.928
 1563    HG3  GLU  52           HG3      GLU  52  25.902  -2.395  -2.503
 1564    H    ALA  53           H        ALA  53  26.021   0.134   0.902
 1565    HA   ALA  53           HA       ALA  53  25.871  -0.559   3.650
 1566    HB1  ALA  53           HB1      ALA  53  27.721   0.737   2.703
 1567    HB2  ALA  53           HB2      ALA  53  26.622   2.081   2.390
 1568    HB3  ALA  53           HB3      ALA  53  26.961   1.587   4.049
 1569    H    ALA  54           H        ALA  54  23.806   1.222   1.569
 1570    HA   ALA  54           HA       ALA  54  22.335   2.458   3.757
 1571    HB1  ALA  54           HB1      ALA  54  22.644   3.693   1.663
 1572    HB2  ALA  54           HB2      ALA  54  21.783   2.417   0.796
 1573    HB3  ALA  54           HB3      ALA  54  20.934   3.396   1.994
 1574    H    PHE  55           H        PHE  55  22.103  -0.190   1.499
 1575    HA   PHE  55           HA       PHE  55  19.364  -0.752   1.898
 1576    HB2  PHE  55           HB2      PHE  55  21.156  -1.563   0.070
 1577    HB3  PHE  55           HB3      PHE  55  21.129  -2.989   1.111
 1578    HD1  PHE  55           HD2      PHE  55  18.798  -3.902   1.734
 1579    HD2  PHE  55           HD1      PHE  55  19.541  -1.299  -1.542
 1580    HE1  PHE  55           HE2      PHE  55  16.668  -4.584   0.718
 1581    HE2  PHE  55           HE1      PHE  55  17.408  -1.958  -2.554
 1582    HZ   PHE  55           HZ       PHE  55  15.967  -3.608  -1.429
 1583    H    GLN  56           H        GLN  56  22.266  -1.811   3.569
 1584    HA   GLN  56           HA       GLN  56  21.119  -3.869   5.099
 1585    HB2  GLN  56           HB2      GLN  56  22.911  -3.444   6.726
 1586    HB3  GLN  56           HB3      GLN  56  23.535  -3.454   5.082
 1587    HG2  GLN  56           HG2      GLN  56  23.647  -1.059   5.052
 1588    HG3  GLN  56           HG3      GLN  56  22.879  -0.966   6.635
 1589   HE21  GLN  56          HE21      GLN  56  25.222  -3.425   5.907
 1590   HE22  GLN  56          HE22      GLN  56  26.504  -2.769   6.874
 1591    H    LYS  57           H        LYS  57  21.056  -0.399   5.377
 1592    HA   LYS  57           HA       LYS  57  19.662  -0.284   7.866
 1593    HB2  LYS  57           HB2      LYS  57  19.839   1.768   5.648
 1594    HB3  LYS  57           HB3      LYS  57  19.304   2.073   7.293
 1595    HG2  LYS  57           HG2      LYS  57  21.453   1.857   8.163
 1596    HG3  LYS  57           HG3      LYS  57  22.045   1.005   6.734
 1597    HD2  LYS  57           HD2      LYS  57  21.934   3.005   5.418
 1598    HD3  LYS  57           HD3      LYS  57  21.126   3.885   6.722
 1599    HE2  LYS  57           HE2      LYS  57  23.916   2.735   6.881
 1600    HE3  LYS  57           HE3      LYS  57  23.547   4.413   6.488
 1601    HZ1  LYS  57           HZ1      LYS  57  24.115   4.115   8.827
 1602    HZ2  LYS  57           HZ2      LYS  57  22.813   3.047   9.025
 1603    HZ3  LYS  57           HZ3      LYS  57  22.521   4.677   8.650
 1604    H    LEU  58           H        LEU  58  18.787  -0.226   4.451
 1605    HA   LEU  58           HA       LEU  58  16.122   0.497   4.610
 1606    HB2  LEU  58           HB2      LEU  58  17.402   0.233   2.511
 1607    HB3  LEU  58           HB3      LEU  58  17.309  -1.509   2.702
 1608    HG   LEU  58           HG       LEU  58  14.815  -1.329   2.604
 1609   HD11  LEU  58          HD11      LEU  58  15.126   1.388   1.438
 1610   HD12  LEU  58          HD12      LEU  58  13.728   0.631   2.203
 1611   HD13  LEU  58          HD13      LEU  58  15.060   1.218   3.202
 1612   HD21  LEU  58          HD21      LEU  58  16.219  -1.864   0.622
 1613   HD22  LEU  58          HD22      LEU  58  14.688  -1.074   0.236
 1614   HD23  LEU  58          HD23      LEU  58  16.189  -0.149   0.204
 1615    H    MET  59           H        MET  59  17.358  -2.826   4.413
 1616    HA   MET  59           HA       MET  59  14.988  -4.178   4.819
 1617    HB2  MET  59           HB2      MET  59  16.928  -5.406   4.216
 1618    HB3  MET  59           HB3      MET  59  17.805  -4.858   5.635
 1619    HG2  MET  59           HG2      MET  59  17.063  -7.220   5.734
 1620    HG3  MET  59           HG3      MET  59  16.495  -6.226   7.073
 1621    HE1  MET  59           HE1      MET  59  14.981  -6.074   3.448
 1622    HE2  MET  59           HE2      MET  59  15.542  -7.748   3.590
 1623    HE3  MET  59           HE3      MET  59  13.811  -7.401   3.513
 1624    H    SER  60           H        SER  60  17.233  -2.941   7.254
 1625    HA   SER  60           HA       SER  60  15.700  -4.013   9.424
 1626    HB2  SER  60           HB2      SER  60  18.172  -3.750   9.442
 1627    HB3  SER  60           HB3      SER  60  17.954  -2.000   9.483
 1628    HG   SER  60           HG       SER  60  16.568  -2.578  11.433
 1629    H    ASN  61           H        ASN  61  15.220  -1.408   7.435
 1630    HA   ASN  61           HA       ASN  61  13.958   0.248   9.474
 1631    HB2  ASN  61           HB2      ASN  61  14.792   0.661   6.680
 1632    HB3  ASN  61           HB3      ASN  61  13.298   1.461   7.159
 1633   HD21  ASN  61          HD21      ASN  61  16.727   1.275   7.643
 1634   HD22  ASN  61          HD22      ASN  61  16.877   2.748   8.549
 1635    H    LEU  62           H        LEU  62  13.163  -1.738   6.661
 1636    HA   LEU  62           HA       LEU  62  10.332  -1.470   7.039
 1637    HB2  LEU  62           HB2      LEU  62  12.090  -3.292   5.432
 1638    HB3  LEU  62           HB3      LEU  62  10.396  -3.680   5.638
 1639    HG   LEU  62           HG       LEU  62  10.621  -2.600   3.554
 1640   HD11  LEU  62          HD11      LEU  62   8.651  -1.954   4.800
 1641   HD12  LEU  62          HD12      LEU  62   9.546  -0.630   5.567
 1642   HD13  LEU  62          HD13      LEU  62   9.229  -0.601   3.828
 1643   HD21  LEU  62          HD21      LEU  62  12.781  -1.560   3.864
 1644   HD22  LEU  62          HD22      LEU  62  11.607  -0.391   3.261
 1645   HD23  LEU  62          HD23      LEU  62  12.073  -0.375   4.964
 1646    H    ASP  63           H        ASP  63  12.600  -4.135   7.486
 1647    HA   ASP  63           HA       ASP  63  10.755  -5.837   8.772
 1648    HB2  ASP  63           HB2      ASP  63  12.690  -6.669   7.532
 1649    HB3  ASP  63           HB3      ASP  63  13.774  -5.901   8.680
 1650    H    SER  64           H        SER  64   9.861  -5.168  10.623
 1651    HA   SER  64           HA       SER  64  11.536  -4.092  12.751
 1652    HB2  SER  64           HB2      SER  64   8.554  -4.626  12.684
 1653    HB3  SER  64           HB3      SER  64   9.419  -3.759  13.952
 1654    HG   SER  64           HG       SER  64   8.462  -2.838  11.614
 1655    H    ASN  65           H        ASN  65  11.020  -7.064  11.596
 1656    HA   ASN  65           HA       ASN  65  10.541  -8.413  14.147
 1657    HB2  ASN  65           HB2      ASN  65  11.093  -9.731  11.483
 1658    HB3  ASN  65           HB3      ASN  65  10.296 -10.427  12.888
 1659   HD21  ASN  65          HD21      ASN  65   9.984  -8.363  10.137
 1660   HD22  ASN  65          HD22      ASN  65   8.256  -8.200  10.191
 1661    H    ARG  66           H        ARG  66  13.073  -7.454  12.077
 1662    HA   ARG  66           HA       ARG  66  15.317  -7.693  12.091
 1663    HB2  ARG  66           HB2      ARG  66  14.761  -8.648  14.897
 1664    HB3  ARG  66           HB3      ARG  66  16.389  -8.519  14.245
 1665    HG2  ARG  66           HG2      ARG  66  14.416  -6.263  14.518
 1666    HG3  ARG  66           HG3      ARG  66  15.813  -6.559  15.556
 1667    HD2  ARG  66           HD2      ARG  66  17.286  -6.313  13.599
 1668    HD3  ARG  66           HD3      ARG  66  15.878  -5.952  12.604
 1669    HE   ARG  66           HE       ARG  66  15.563  -3.943  13.967
 1670   HH11  ARG  66          HH12      ARG  66  18.688  -5.526  13.985
 1671   HH12  ARG  66          HH11      ARG  66  19.556  -4.101  14.482
 1672   HH21  ARG  66          HH22      ARG  66  16.704  -2.055  14.622
 1673   HH22  ARG  66          HH21      ARG  66  18.422  -2.143  14.877
 1674    H    ASP  67           H        ASP  67  14.239  -9.420  10.569
 1675    HA   ASP  67           HA       ASP  67  15.563 -11.987  11.190
 1676    HB2  ASP  67           HB2      ASP  67  13.053 -12.111  11.312
 1677    HB3  ASP  67           HB3      ASP  67  13.000 -11.650   9.614
 1678    H    ASN  68           H        ASN  68  15.169  -9.321   9.184
 1679    HA   ASN  68           HA       ASN  68  16.331  -8.590   7.392
 1680    HB2  ASN  68           HB2      ASN  68  17.896 -11.141   7.798
 1681    HB3  ASN  68           HB3      ASN  68  18.286  -9.958   6.552
 1682   HD21  ASN  68          HD21      ASN  68  17.459  -7.718   8.295
 1683   HD22  ASN  68          HD22      ASN  68  18.748  -7.514   9.428
 1684    H    GLU  69           H        GLU  69  13.933 -10.065   7.183
 1685    HA   GLU  69           HA       GLU  69  13.835 -10.289   4.364
 1686    HB2  GLU  69           HB2      GLU  69  12.852 -12.605   4.327
 1687    HB3  GLU  69           HB3      GLU  69  14.578 -12.541   4.638
 1688    HG2  GLU  69           HG2      GLU  69  14.155 -12.873   7.020
 1689    HG3  GLU  69           HG3      GLU  69  12.424 -12.946   6.700
 1690    H    VAL  70           H        VAL  70  12.096  -9.238   3.917
 1691    HA   VAL  70           HA       VAL  70  10.333  -8.415   5.972
 1692    HB   VAL  70           HB       VAL  70  10.633  -7.831   3.059
 1693   HG11  VAL  70          HG11      VAL  70   8.715  -6.334   3.112
 1694   HG12  VAL  70          HG12      VAL  70   8.219  -8.010   3.347
 1695   HG13  VAL  70          HG13      VAL  70   8.300  -6.913   4.725
 1696   HG21  VAL  70          HG21      VAL  70  10.891  -5.556   3.907
 1697   HG22  VAL  70          HG22      VAL  70  10.545  -6.125   5.540
 1698   HG23  VAL  70          HG23      VAL  70  12.003  -6.668   4.707
 1699    H    ASP  71           H        ASP  71   8.408  -9.062   6.549
 1700    HA   ASP  71           HA       ASP  71   7.229 -11.413   5.318
 1701    HB2  ASP  71           HB2      ASP  71   7.523 -11.007   7.853
 1702    HB3  ASP  71           HB3      ASP  71   6.156  -9.905   7.707
 1703    H    PHE  72           H        PHE  72   4.507 -11.069   5.717
 1704    HA   PHE  72           HA       PHE  72   4.002  -9.770   3.252
 1705    HB2  PHE  72           HB2      PHE  72   2.783 -11.787   4.387
 1706    HB3  PHE  72           HB3      PHE  72   1.769 -10.530   5.088
 1707    HD1  PHE  72           HD2      PHE  72   2.687  -9.114   2.129
 1708    HD2  PHE  72           HD1      PHE  72   0.326 -12.345   3.579
 1709    HE1  PHE  72           HE2      PHE  72   1.370  -9.068   0.055
 1710    HE2  PHE  72           HE1      PHE  72  -0.998 -12.307   1.507
 1711    HZ   PHE  72           HZ       PHE  72  -0.479 -10.670  -0.257
 1712    H    GLN  73           H        GLN  73   2.769  -8.947   6.559
 1713    HA   GLN  73           HA       GLN  73   1.546  -6.545   5.689
 1714    HB2  GLN  73           HB2      GLN  73   1.388  -7.804   8.034
 1715    HB3  GLN  73           HB3      GLN  73   2.646  -6.657   8.468
 1716    HG2  GLN  73           HG2      GLN  73   1.149  -4.830   7.672
 1717    HG3  GLN  73           HG3      GLN  73  -0.133  -6.038   7.554
 1718   HE21  GLN  73          HE21      GLN  73   1.846  -4.147   9.674
 1719   HE22  GLN  73          HE22      GLN  73   1.010  -4.555  11.136
 1720    H    GLU  74           H        GLU  74   4.788  -7.308   6.796
 1721    HA   GLU  74           HA       GLU  74   5.793  -4.690   6.997
 1722    HB2  GLU  74           HB2      GLU  74   6.776  -7.126   7.578
 1723    HB3  GLU  74           HB3      GLU  74   7.593  -6.854   6.045
 1724    HG2  GLU  74           HG2      GLU  74   9.076  -6.097   7.686
 1725    HG3  GLU  74           HG3      GLU  74   8.352  -4.633   7.009
 1726    H    TYR  75           H        TYR  75   5.487  -6.941   4.330
 1727    HA   TYR  75           HA       TYR  75   6.950  -5.444   2.421
 1728    HB2  TYR  75           HB2      TYR  75   6.506  -7.843   2.157
 1729    HB3  TYR  75           HB3      TYR  75   4.777  -7.526   2.041
 1730    HD1  TYR  75           HD1      TYR  75   3.896  -6.328   0.034
 1731    HD2  TYR  75           HD2      TYR  75   7.924  -7.669   0.291
 1732    HE1  TYR  75           HE1      TYR  75   4.110  -6.086  -2.402
 1733    HE2  TYR  75           HE2      TYR  75   8.156  -7.422  -2.154
 1734    HH   TYR  75           HH       TYR  75   6.787  -7.338  -4.135
 1735    H    CYS  76           H        CYS  76   3.613  -5.454   3.465
 1736    HA   CYS  76           HA       CYS  76   2.831  -3.790   1.250
 1737    HB2  CYS  76           HB2      CYS  76   1.189  -4.701   3.617
 1738    HB3  CYS  76           HB3      CYS  76   0.570  -4.030   2.109
 1739    HG   CYS  76           HG       CYS  76   2.207  -7.026   2.415
 1740    H    VAL  77           H        VAL  77   3.331  -3.410   4.746
 1741    HA   VAL  77           HA       VAL  77   2.472  -0.713   4.876
 1742    HB   VAL  77           HB       VAL  77   2.893  -2.035   6.914
 1743   HG11  VAL  77          HG11      VAL  77   4.726  -3.354   6.281
 1744   HG12  VAL  77          HG12      VAL  77   5.727  -1.935   5.950
 1745   HG13  VAL  77          HG13      VAL  77   5.288  -2.340   7.614
 1746   HG21  VAL  77          HG21      VAL  77   2.983   0.414   7.100
 1747   HG22  VAL  77          HG22      VAL  77   4.090  -0.362   8.233
 1748   HG23  VAL  77          HG23      VAL  77   4.716   0.372   6.757
 1749    H    PHE  78           H        PHE  78   5.484  -2.276   4.024
 1750    HA   PHE  78           HA       PHE  78   7.158  -0.185   3.433
 1751    HB2  PHE  78           HB2      PHE  78   7.988  -2.353   3.078
 1752    HB3  PHE  78           HB3      PHE  78   6.591  -2.836   2.129
 1753    HD1  PHE  78           HD1      PHE  78   6.421  -2.247  -0.228
 1754    HD2  PHE  78           HD2      PHE  78   9.843  -1.232   2.090
 1755    HE1  PHE  78           HE1      PHE  78   7.688  -1.847  -2.295
 1756    HE2  PHE  78           HE2      PHE  78  11.127  -0.829   0.032
 1757    HZ   PHE  78           HZ       PHE  78  10.042  -1.132  -2.170
 1758    H    LEU  79           H        LEU  79   4.516  -1.514   1.523
 1759    HA   LEU  79           HA       LEU  79   4.852   0.177  -0.692
 1760    HB2  LEU  79           HB2      LEU  79   2.760  -1.694   0.254
 1761    HB3  LEU  79           HB3      LEU  79   2.333  -0.552  -1.007
 1762    HG   LEU  79           HG       LEU  79   4.808  -1.797  -1.699
 1763   HD11  LEU  79          HD11      LEU  79   3.885  -4.094  -2.018
 1764   HD12  LEU  79          HD12      LEU  79   4.240  -3.665  -0.342
 1765   HD13  LEU  79          HD13      LEU  79   2.577  -3.653  -0.920
 1766   HD21  LEU  79          HD21      LEU  79   2.835  -0.716  -2.983
 1767   HD22  LEU  79          HD22      LEU  79   3.768  -2.049  -3.716
 1768   HD23  LEU  79          HD23      LEU  79   2.184  -2.362  -2.977
 1769    H    SER  80           H        SER  80   2.523   0.243   1.962
 1770    HA   SER  80           HA       SER  80   1.209   2.567   1.060
 1771    HB2  SER  80           HB2      SER  80   0.548   2.615   3.599
 1772    HB3  SER  80           HB3      SER  80  -0.041   1.347   2.525
 1773    HG   SER  80           HG       SER  80   0.763   0.130   4.069
 1774    H    CYS  81           H        CYS  81   4.007   1.985   3.038
 1775    HA   CYS  81           HA       CYS  81   4.550   4.562   3.900
 1776    HB2  CYS  81           HB2      CYS  81   6.074   3.018   4.708
 1777    HB3  CYS  81           HB3      CYS  81   6.247   2.217   3.147
 1778    HG   CYS  81           HG       CYS  81   8.170   3.683   2.179
 1779    H    ILE  82           H        ILE  82   5.483   2.967   0.850
 1780    HA   ILE  82           HA       ILE  82   6.892   5.115  -0.233
 1781    HB   ILE  82           HB       ILE  82   5.268   3.197  -1.912
 1782   HG12  ILE  82          HG12      ILE  82   6.685   2.000  -0.207
 1783   HG13  ILE  82          HG13      ILE  82   7.112   1.662  -1.880
 1784   HG21  ILE  82          HG21      ILE  82   7.103   3.594  -3.515
 1785   HG22  ILE  82          HG22      ILE  82   6.254   5.079  -3.089
 1786   HG23  ILE  82          HG23      ILE  82   7.830   4.731  -2.375
 1787   HD11  ILE  82          HD11      ILE  82   8.976   3.191  -1.735
 1788   HD12  ILE  82          HD12      ILE  82   8.529   3.604  -0.079
 1789   HD13  ILE  82          HD13      ILE  82   9.064   1.969  -0.466
 1790    H    ALA  83           H        ALA  83   3.470   4.266  -0.551
 1791    HA   ALA  83           HA       ALA  83   2.771   6.315  -2.341
 1792    HB1  ALA  83           HB1      ALA  83   1.422   4.294  -1.759
 1793    HB2  ALA  83           HB2      ALA  83   0.982   5.104  -0.255
 1794    HB3  ALA  83           HB3      ALA  83   0.514   5.812  -1.804
 1795    H    MET  84           H        MET  84   2.439   6.148   1.178
 1796    HA   MET  84           HA       MET  84   1.465   8.762   1.599
 1797    HB2  MET  84           HB2      MET  84   1.300   6.895   3.166
 1798    HB3  MET  84           HB3      MET  84   3.038   6.939   3.391
 1799    HG2  MET  84           HG2      MET  84   2.895   9.084   4.454
 1800    HG3  MET  84           HG3      MET  84   1.160   9.170   4.108
 1801    HE1  MET  84           HE1      MET  84   2.113   5.695   4.495
 1802    HE2  MET  84           HE2      MET  84   3.555   6.267   5.384
 1803    HE3  MET  84           HE3      MET  84   2.281   5.333   6.238
 1804    H    MET  85           H        MET  85   4.688   7.396   1.601
 1805    HA   MET  85           HA       MET  85   6.059   9.757   2.321
 1806    HB2  MET  85           HB2      MET  85   6.787   7.303   2.422
 1807    HB3  MET  85           HB3      MET  85   7.233   7.528   0.727
 1808    HG2  MET  85           HG2      MET  85   8.272   9.721   2.048
 1809    HG3  MET  85           HG3      MET  85   8.593   8.358   3.109
 1810    HE1  MET  85           HE1      MET  85  10.572   6.050   1.818
 1811    HE2  MET  85           HE2      MET  85   8.800   6.250   2.065
 1812    HE3  MET  85           HE3      MET  85   9.464   5.862   0.445
 1813    H    CYS  86           H        CYS  86   4.741   8.528  -0.604
 1814    HA   CYS  86           HA       CYS  86   6.155  10.312  -2.368
 1815    HB2  CYS  86           HB2      CYS  86   5.304   8.171  -3.211
 1816    HB3  CYS  86           HB3      CYS  86   3.661   8.637  -2.782
 1817    HG   CYS  86           HG       CYS  86   5.527  10.330  -5.095
 1818    H    ASN  87           H        ASN  87   2.944  10.055  -0.981
 1819    HA   ASN  87           HA       ASN  87   1.575  11.992  -2.296
 1820    HB2  ASN  87           HB2      ASN  87   0.540  10.508  -0.682
 1821    HB3  ASN  87           HB3      ASN  87   1.388  11.314   0.636
 1822   HD21  ASN  87          HD21      ASN  87   0.708  13.304   1.322
 1823   HD22  ASN  87          HD22      ASN  87  -0.787  14.015   0.833
 1824    H    GLU  88           H        GLU  88   3.576  12.412   0.593
 1825    HA   GLU  88           HA       GLU  88   3.027  15.004   1.280
 1826    HB2  GLU  88           HB2      GLU  88   5.387  15.035   2.199
 1827    HB3  GLU  88           HB3      GLU  88   4.376  13.692   2.716
 1828    HG2  GLU  88           HG2      GLU  88   5.446  12.322   0.913
 1829    HG3  GLU  88           HG3      GLU  88   6.570  13.655   0.666
 1830    H    PHE  89           H        PHE  89   5.318  13.919  -1.197
 1831    HA   PHE  89           HA       PHE  89   5.872  16.687  -1.931
 1832    HB2  PHE  89           HB2      PHE  89   7.011  14.046  -2.804
 1833    HB3  PHE  89           HB3      PHE  89   7.361  15.535  -3.677
 1834    HD1  PHE  89           HD1      PHE  89   7.619  13.910  -0.363
 1835    HD2  PHE  89           HD2      PHE  89   9.008  17.005  -2.928
 1836    HE1  PHE  89           HE1      PHE  89   9.435  14.413   1.227
 1837    HE2  PHE  89           HE2      PHE  89  10.825  17.511  -1.347
 1838    HZ   PHE  89           HZ       PHE  89  11.040  16.214   0.734
 1839    H    PHE  90           H        PHE  90   4.323  13.807  -3.247
 1840    HA   PHE  90           HA       PHE  90   4.163  14.830  -5.897
 1841    HB2  PHE  90           HB2      PHE  90   4.344  12.454  -5.503
 1842    HB3  PHE  90           HB3      PHE  90   2.840  12.439  -4.598
 1843    HD1  PHE  90           HD1      PHE  90   0.685  12.826  -5.805
 1844    HD2  PHE  90           HD2      PHE  90   4.385  12.334  -7.856
 1845    HE1  PHE  90           HE1      PHE  90  -0.534  12.334  -7.889
 1846    HE2  PHE  90           HE2      PHE  90   3.170  11.847  -9.941
 1847    HZ   PHE  90           HZ       PHE  90   0.708  11.850  -9.959
 1848    H    GLU  91           H        GLU  91   2.000  14.972  -3.157
 1849    HA   GLU  91           HA       GLU  91  -0.440  15.257  -4.516
 1850    HB2  GLU  91           HB2      GLU  91  -1.318  16.198  -2.461
 1851    HB3  GLU  91           HB3      GLU  91  -0.258  14.846  -2.086
 1852    HG2  GLU  91           HG2      GLU  91   1.507  16.332  -1.442
 1853    HG3  GLU  91           HG3      GLU  91   0.579  17.728  -1.978
 1854    H    GLY  92           H        GLY  92   2.187  17.432  -4.166
 1855    HA2  GLY  92           HA2      GLY  92   2.112  19.261  -5.851
 1856    HA3  GLY  92           HA3      GLY  92   0.500  19.606  -5.240
 1857    H    PHE  93           H        PHE  93   1.459  19.042  -2.433
 1858    HA   PHE  93           HA       PHE  93   2.844  21.596  -2.042
 1859    HB2  PHE  93           HB2      PHE  93   1.120  20.241  -0.032
 1860    HB3  PHE  93           HB3      PHE  93   1.683  21.892  -0.023
 1861    HD1  PHE  93           HD1      PHE  93   0.796  23.455  -1.817
 1862    HD2  PHE  93           HD2      PHE  93  -0.913  19.673  -0.922
 1863    HE1  PHE  93           HE1      PHE  93  -1.304  24.163  -2.899
 1864    HE2  PHE  93           HE2      PHE  93  -3.024  20.363  -2.002
 1865    HZ   PHE  93           HZ       PHE  93  -3.217  22.612  -2.992
 1866    HA   PRO  94           HA       PRO  94   5.789  18.414  -0.579
 1867    HB2  PRO  94           HB2      PRO  94   7.678  20.650  -0.951
 1868    HB3  PRO  94           HB3      PRO  94   7.750  19.003  -1.585
 1869    HG2  PRO  94           HG2      PRO  94   7.203  21.091  -3.174
 1870    HG3  PRO  94           HG3      PRO  94   6.440  19.508  -3.421
 1871    HD2  PRO  94           HD2      PRO  94   5.319  21.976  -2.144
 1872    HD3  PRO  94           HD3      PRO  94   4.537  20.822  -3.244
 1873    H    ASP  95           H        ASP  95   4.750  18.633   1.456
 1874    HA   ASP  95           HA       ASP  95   5.042  18.701   3.692
 1875    HB2  ASP  95           HB2      ASP  95   7.133  18.814   4.556
 1876    HB3  ASP  95           HB3      ASP  95   7.594  18.757   2.867
 1877    H    LYS  96           H        LYS  96   3.835  20.876   2.034
 1878    HA   LYS  96           HA       LYS  96   4.254  23.301   3.521
 1879    HB2  LYS  96           HB2      LYS  96   2.159  22.664   1.443
 1880    HB3  LYS  96           HB3      LYS  96   2.571  24.266   2.035
 1881    HG2  LYS  96           HG2      LYS  96   4.419  22.438   0.516
 1882    HG3  LYS  96           HG3      LYS  96   3.543  23.811  -0.161
 1883    HD2  LYS  96           HD2      LYS  96   5.585  23.974   2.057
 1884    HD3  LYS  96           HD3      LYS  96   5.902  24.333   0.361
 1885    HE2  LYS  96           HE2      LYS  96   3.915  25.766   2.119
 1886    HE3  LYS  96           HE3      LYS  96   5.512  26.368   1.680
 1887    HZ1  LYS  96           HZ1      LYS  96   3.293  25.802  -0.218
 1888    HZ2  LYS  96           HZ2      LYS  96   4.826  26.388  -0.640
 1889    HZ3  LYS  96           HZ3      LYS  96   3.785  27.338   0.302
 1890    H    GLN  97           H        GLN  97   2.702  20.630   4.385
 1891    HA   GLN  97           HA       GLN  97   0.701  22.118   5.955
 1892    HB2  GLN  97           HB2      GLN  97   0.459  19.356   4.760
 1893    HB3  GLN  97           HB3      GLN  97  -0.576  19.914   6.064
 1894    HG2  GLN  97           HG2      GLN  97  -1.820  20.225   4.115
 1895    HG3  GLN  97           HG3      GLN  97  -1.224  21.830   4.532
 1896   HE21  GLN  97          HE21      GLN  97  -1.488  22.536   2.413
 1897   HE22  GLN  97          HE22      GLN  97  -0.407  22.054   1.151
 1898    HA   PRO  98           HA       PRO  98   3.447  20.553   9.180
 1899    HB2  PRO  98           HB2      PRO  98   2.119  21.866  11.193
 1900    HB3  PRO  98           HB3      PRO  98   3.383  22.597  10.199
 1901    HG2  PRO  98           HG2      PRO  98   0.413  22.819   9.956
 1902    HG3  PRO  98           HG3      PRO  98   1.652  24.072   9.756
 1903    HD2  PRO  98           HD2      PRO  98   0.465  22.889   7.649
 1904    HD3  PRO  98           HD3      PRO  98   2.166  23.399   7.608
 1905    H    ARG  99           H        ARG  99   3.066  18.470   9.555
 1906    HA   ARG  99           HA       ARG  99   1.203  17.658  11.530
 1907    HB2  ARG  99           HB2      ARG  99  -0.469  17.745   9.813
 1908    HB3  ARG  99           HB3      ARG  99   0.586  16.949   8.656
 1909    HG2  ARG  99           HG2      ARG  99  -1.188  15.473   9.473
 1910    HG3  ARG  99           HG3      ARG  99   0.419  14.869   9.879
 1911    HD2  ARG  99           HD2      ARG  99   0.176  15.734  12.148
 1912    HD3  ARG  99           HD3      ARG  99  -1.418  16.371  11.743
 1913    HE   ARG  99           HE       ARG  99  -1.742  13.788  11.166
 1914   HH11  ARG  99          HH12      ARG  99  -0.182  15.254  13.936
 1915   HH12  ARG  99          HH11      ARG  99  -0.726  14.036  15.053
 1916   HH21  ARG  99          HH22      ARG  99  -2.452  12.174  12.625
 1917   HH22  ARG  99          HH21      ARG  99  -2.001  12.275  14.305
 1918    H    LYS 100           H        LYS 100   2.350  15.987   8.650
 1919    HA   LYS 100           HA       LYS 100   4.619  14.823   9.926
 1920    HB2  LYS 100           HB2      LYS 100   2.090  13.442  10.068
 1921    HB3  LYS 100           HB3      LYS 100   3.203  12.527   9.058
 1922    HG2  LYS 100           HG2      LYS 100   3.970  13.521  11.787
 1923    HG3  LYS 100           HG3      LYS 100   3.165  11.970  11.532
 1924    HD2  LYS 100           HD2      LYS 100   4.972  11.192  10.159
 1925    HD3  LYS 100           HD3      LYS 100   5.735  12.781  10.184
 1926    HE2  LYS 100           HE2      LYS 100   5.235  11.238  12.707
 1927    HE3  LYS 100           HE3      LYS 100   6.672  10.956  11.727
 1928    HZ1  LYS 100           HZ1      LYS 100   7.089  12.542  13.505
 1929    HZ2  LYS 100           HZ2      LYS 100   5.881  13.573  12.906
 1930    HZ3  LYS 100           HZ3      LYS 100   7.276  13.271  11.987
 1931    H    LYS 101           H        LYS 101   4.202  16.455   7.820
 1932    HA   LYS 101           HA       LYS 101   4.627  14.798   5.421
 1933    HB2  LYS 101           HB2      LYS 101   2.471  16.081   5.451
 1934    HB3  LYS 101           HB3      LYS 101   3.400  17.565   5.590
 1935    HG2  LYS 101           HG2      LYS 101   4.406  17.146   3.401
 1936    HG3  LYS 101           HG3      LYS 101   3.482  15.649   3.264
 1937    HD2  LYS 101           HD2      LYS 101   2.395  18.457   3.410
 1938    HD3  LYS 101           HD3      LYS 101   2.359  17.373   2.019
 1939    HE2  LYS 101           HE2      LYS 101   0.961  15.808   3.377
 1940    HE3  LYS 101           HE3      LYS 101   0.887  17.046   4.631
 1941    HZ1  LYS 101           HZ1      LYS 101  -0.242  17.129   1.896
 1942    HZ2  LYS 101           HZ2      LYS 101  -0.021  18.539   2.812
 1943    HZ3  LYS 101           HZ3      LYS 101  -1.053  17.315   3.380
  Start of MODEL   10
    1    H1   GLN1897           H1       GLN1897 -19.385 -12.757   2.213
    2    H2   GLN1897           H2       GLN1897 -17.949 -13.316   1.505
    3    H3   GLN1897           H3       GLN1897 -19.360 -13.195   0.577
    4    HA   GLN1897           HA       GLN1897 -17.828 -11.389   0.097
    5    HB2  GLN1897           HB2      GLN1897 -20.458 -11.188   0.257
    6    HB3  GLN1897           HB3      GLN1897 -20.094 -10.164   1.636
    7    HG2  GLN1897           HG2      GLN1897 -18.601  -8.829   0.031
    8    HG3  GLN1897           HG3      GLN1897 -19.411  -9.720  -1.250
    9   HE21  GLN1897          HE21      GLN1897 -19.476  -6.941  -0.907
   10   HE22  GLN1897          HE22      GLN1897 -21.114  -6.480  -0.585
   11    H    ARG1898           H        ARG1898 -17.010  -9.318   0.921
   12    HA   ARG1898           HA       ARG1898 -16.433  -7.728   2.349
   13    HB2  ARG1898           HB2      ARG1898 -18.403  -8.283   3.704
   14    HB3  ARG1898           HB3      ARG1898 -17.439  -9.482   4.535
   15    HG2  ARG1898           HG2      ARG1898 -17.673  -7.370   5.801
   16    HG3  ARG1898           HG3      ARG1898 -15.995  -7.766   5.441
   17    HD2  ARG1898           HD2      ARG1898 -17.306  -5.354   4.914
   18    HD3  ARG1898           HD3      ARG1898 -15.708  -5.846   4.338
   19    HE   ARG1898           HE       ARG1898 -17.900  -6.796   2.714
   20   HH11  ARG1898          HH12      ARG1898 -16.026  -3.922   3.295
   21   HH12  ARG1898          HH11      ARG1898 -15.817  -3.551   1.615
   22   HH21  ARG1898          HH22      ARG1898 -17.598  -6.347   0.486
   23   HH22  ARG1898          HH21      ARG1898 -16.703  -4.942   0.012
   24    H    GLU1899           H        GLU1899 -14.745  -9.024   1.246
   25    HA   GLU1899           HA       GLU1899 -12.695 -10.285   2.645
   26    HB2  GLU1899           HB2      GLU1899 -11.292  -9.061   0.857
   27    HB3  GLU1899           HB3      GLU1899 -12.537 -10.169   0.290
   28    HG2  GLU1899           HG2      GLU1899 -13.204  -7.297   0.665
   29    HG3  GLU1899           HG3      GLU1899 -12.303  -7.768  -0.756
   30    H    LEU1900           H        LEU1900 -13.796  -6.985   2.435
   31    HA   LEU1900           HA       LEU1900 -11.441  -5.745   3.376
   32    HB2  LEU1900           HB2      LEU1900 -14.297  -4.785   3.155
   33    HB3  LEU1900           HB3      LEU1900 -13.029  -3.815   3.862
   34    HG   LEU1900           HG       LEU1900 -13.196  -3.016   1.718
   35   HD11  LEU1900          HD11      LEU1900 -10.910  -3.360   2.301
   36   HD12  LEU1900          HD12      LEU1900 -10.962  -5.011   1.682
   37   HD13  LEU1900          HD13      LEU1900 -11.135  -3.648   0.576
   38   HD21  LEU1900          HD21      LEU1900 -13.307  -5.826   0.723
   39   HD22  LEU1900          HD22      LEU1900 -14.627  -4.655   0.793
   40   HD23  LEU1900          HD23      LEU1900 -13.258  -4.374  -0.283
   41    H    GLU1901           H        GLU1901 -13.707  -7.637   4.991
   42    HA   GLU1901           HA       GLU1901 -13.640  -6.330   7.534
   43    HB2  GLU1901           HB2      GLU1901 -15.425  -7.899   6.982
   44    HB3  GLU1901           HB3      GLU1901 -14.260  -9.202   6.814
   45    HG2  GLU1901           HG2      GLU1901 -13.737  -9.075   9.174
   46    HG3  GLU1901           HG3      GLU1901 -14.824  -7.700   9.361
   47    H    ASP1902           H        ASP1902 -11.902  -9.041   6.071
   48    HA   ASP1902           HA       ASP1902 -10.026  -9.153   8.289
   49    HB2  ASP1902           HB2      ASP1902 -10.829 -11.228   7.163
   50    HB3  ASP1902           HB3      ASP1902 -10.050 -10.693   5.678
   51    H    ALA1903           H        ALA1903 -10.314  -7.910   5.086
   52    HA   ALA1903           HA       ALA1903  -7.702  -7.520   4.266
   53    HB1  ALA1903           HB1      ALA1903  -9.939  -7.012   3.062
   54    HB2  ALA1903           HB2      ALA1903  -9.800  -5.429   3.829
   55    HB3  ALA1903           HB3      ALA1903  -8.538  -5.987   2.727
   56    H    THR1904           H        THR1904  -9.767  -5.007   5.608
   57    HA   THR1904           HA       THR1904  -7.383  -3.405   5.986
   58    HB   THR1904           HB       THR1904  -8.994  -1.511   6.106
   59    HG1  THR1904           HG1      THR1904 -11.112  -1.880   6.030
   60   HG21  THR1904          HG21      THR1904  -9.686  -1.692   3.711
   61   HG22  THR1904          HG22      THR1904  -9.153  -3.371   3.732
   62   HG23  THR1904          HG23      THR1904  -7.986  -2.072   3.989
   63    H    GLU1905           H        GLU1905  -9.281  -5.390   7.810
   64    HA   GLU1905           HA       GLU1905  -9.315  -4.180  10.326
   65    HB2  GLU1905           HB2      GLU1905 -10.196  -6.442   9.853
   66    HB3  GLU1905           HB3      GLU1905  -8.547  -7.005   9.604
   67    HG2  GLU1905           HG2      GLU1905  -8.001  -6.787  11.859
   68    HG3  GLU1905           HG3      GLU1905  -9.408  -5.793  12.199
   69    H    THR1906           H        THR1906  -6.851  -5.936   8.573
   70    HA   THR1906           HA       THR1906  -4.748  -5.476  10.403
   71    HB   THR1906           HB       THR1906  -3.668  -5.974   7.853
   72    HG1  THR1906           HG1      THR1906  -5.586  -6.537   6.933
   73   HG21  THR1906          HG21      THR1906  -3.331  -8.240   8.792
   74   HG22  THR1906          HG22      THR1906  -4.443  -7.835  10.103
   75   HG23  THR1906          HG23      THR1906  -2.913  -6.971   9.943
   76    H    ALA1907           H        ALA1907  -6.152  -3.623   7.788
   77    HA   ALA1907           HA       ALA1907  -4.076  -1.892   7.210
   78    HB1  ALA1907           HB1      ALA1907  -6.187  -1.759   6.004
   79    HB2  ALA1907           HB2      ALA1907  -6.985  -1.142   7.453
   80    HB3  ALA1907           HB3      ALA1907  -5.742  -0.173   6.658
   81    H    ASP1908           H        ASP1908  -6.350  -1.741   9.907
   82    HA   ASP1908           HA       ASP1908  -5.591   0.620  11.121
   83    HB2  ASP1908           HB2      ASP1908  -7.432  -0.881  11.887
   84    HB3  ASP1908           HB3      ASP1908  -6.230  -1.990  12.532
   85    H    ALA1909           H        ALA1909  -4.123  -2.604  11.552
   86    HA   ALA1909           HA       ALA1909  -2.108  -1.759  13.353
   87    HB1  ALA1909           HB1      ALA1909  -1.055  -3.902  12.916
   88    HB2  ALA1909           HB2      ALA1909  -2.795  -4.099  13.126
   89    HB3  ALA1909           HB3      ALA1909  -2.090  -4.144  11.510
   90    H    MET1910           H        MET1910  -1.793  -2.669   9.905
   91    HA   MET1910           HA       MET1910   0.729  -1.827   9.359
   92    HB2  MET1910           HB2      MET1910  -0.368  -2.883   7.624
   93    HB3  MET1910           HB3      MET1910  -1.779  -1.848   7.731
   94    HG2  MET1910           HG2      MET1910  -0.558  -0.017   6.709
   95    HG3  MET1910           HG3      MET1910   0.920  -0.986   6.696
   96    HE1  MET1910           HE1      MET1910  -0.072  -3.852   4.223
   97    HE2  MET1910           HE2      MET1910   1.217  -3.185   5.233
   98    HE3  MET1910           HE3      MET1910  -0.246  -3.829   5.977
   99    H    ASN1911           H        ASN1911  -2.073   0.269   9.716
  100    HA   ASN1911           HA       ASN1911  -0.917   2.632   8.632
  101    HB2  ASN1911           HB2      ASN1911  -3.333   2.253   9.021
  102    HB3  ASN1911           HB3      ASN1911  -3.041   2.293  10.744
  103   HD21  ASN1911          HD21      ASN1911  -3.359   4.114   7.873
  104   HD22  ASN1911          HD22      ASN1911  -3.401   5.663   8.616
  105    H    ARG1912           H        ARG1912  -0.961   1.304  11.923
  106    HA   ARG1912           HA       ARG1912   0.002   3.682  13.152
  107    HB2  ARG1912           HB2      ARG1912   0.404   0.903  14.229
  108    HB3  ARG1912           HB3      ARG1912   0.236   2.397  15.133
  109    HG2  ARG1912           HG2      ARG1912  -1.896   0.848  13.697
  110    HG3  ARG1912           HG3      ARG1912  -1.795   1.249  15.412
  111    HD2  ARG1912           HD2      ARG1912  -2.212   3.212  13.155
  112    HD3  ARG1912           HD3      ARG1912  -3.464   2.622  14.252
  113    HE   ARG1912           HE       ARG1912  -1.674   3.671  15.960
  114   HH11  ARG1912          HH12      ARG1912  -3.182   4.911  13.055
  115   HH12  ARG1912          HH11      ARG1912  -3.085   6.570  13.546
  116   HH21  ARG1912          HH22      ARG1912  -1.545   5.858  16.633
  117   HH22  ARG1912          HH21      ARG1912  -2.133   7.114  15.587
  118    H    GLU1913           H        GLU1913   1.489   0.768  11.919
  119    HA   GLU1913           HA       GLU1913   4.153   1.584  12.634
  120    HB2  GLU1913           HB2      GLU1913   4.775  -0.439  11.255
  121    HB3  GLU1913           HB3      GLU1913   3.732  -0.749  12.638
  122    HG2  GLU1913           HG2      GLU1913   1.787  -0.662  11.078
  123    HG3  GLU1913           HG3      GLU1913   2.938  -0.594   9.739
  124    H    VAL1914           H        VAL1914   2.090   1.747   9.803
  125    HA   VAL1914           HA       VAL1914   4.119   2.349   7.907
  126    HB   VAL1914           HB       VAL1914   1.603   1.645   7.549
  127   HG11  VAL1914          HG11      VAL1914   0.205   3.581   6.836
  128   HG12  VAL1914          HG12      VAL1914   0.490   3.486   8.578
  129   HG13  VAL1914          HG13      VAL1914   1.395   4.640   7.594
  130   HG21  VAL1914          HG21      VAL1914   2.948   3.632   5.749
  131   HG22  VAL1914          HG22      VAL1914   3.178   1.882   5.747
  132   HG23  VAL1914          HG23      VAL1914   1.614   2.567   5.304
  133    H    SER1915           H        SER1915   2.138   4.271  10.059
  134    HA   SER1915           HA       SER1915   2.783   6.786   8.947
  135    HB2  SER1915           HB2      SER1915   0.831   6.316  10.354
  136    HB3  SER1915           HB3      SER1915   1.884   6.112  11.753
  137    HG   SER1915           HG       SER1915   1.592   8.186  11.977
  138    H    SER1916           H        SER1916   4.236   4.679  11.323
  139    HA   SER1916           HA       SER1916   6.411   6.493  11.867
  140    HB2  SER1916           HB2      SER1916   5.706   4.780  13.516
  141    HB3  SER1916           HB3      SER1916   6.170   3.513  12.382
  142    HG   SER1916           HG       SER1916   7.697   4.845  14.130
  143    H    LEU1917           H        LEU1917   5.650   3.948   9.604
  144    HA   LEU1917           HA       LEU1917   8.260   3.286   8.848
  145    HB2  LEU1917           HB2      LEU1917   6.315   1.828   8.426
  146    HB3  LEU1917           HB3      LEU1917   5.770   2.964   7.206
  147    HG   LEU1917           HG       LEU1917   7.491   2.436   5.727
  148   HD11  LEU1917          HD11      LEU1917   8.894   1.199   8.069
  149   HD12  LEU1917          HD12      LEU1917   9.490   1.188   6.406
  150   HD13  LEU1917          HD13      LEU1917   9.310   2.716   7.271
  151   HD21  LEU1917          HD21      LEU1917   5.977   0.566   5.890
  152   HD22  LEU1917          HD22      LEU1917   7.625  -0.003   5.631
  153   HD23  LEU1917          HD23      LEU1917   6.910  -0.092   7.237
  154    H    LYS1918           H        LYS1918   5.841   5.243   7.102
  155    HA   LYS1918           HA       LYS1918   7.651   5.837   5.034
  156    HB2  LYS1918           HB2      LYS1918   5.976   6.986   4.050
  157    HB3  LYS1918           HB3      LYS1918   5.004   6.155   5.253
  158    HG2  LYS1918           HG2      LYS1918   6.133   8.898   5.634
  159    HG3  LYS1918           HG3      LYS1918   4.530   8.588   4.964
  160    HD2  LYS1918           HD2      LYS1918   3.647   7.963   6.978
  161    HD3  LYS1918           HD3      LYS1918   5.161   7.218   7.503
  162    HE2  LYS1918           HE2      LYS1918   4.513   9.213   8.799
  163    HE3  LYS1918           HE3      LYS1918   6.104   9.313   8.052
  164    HZ1  LYS1918           HZ1      LYS1918   4.858  11.387   7.833
  165    HZ2  LYS1918           HZ2      LYS1918   3.623  10.587   6.993
  166    HZ3  LYS1918           HZ3      LYS1918   5.171  10.707   6.312
  167    H    ASN1919           H        ASN1919   7.508   6.829   8.195
  168    HA   ASN1919           HA       ASN1919   8.910   9.349   7.867
  169    HB2  ASN1919           HB2      ASN1919   7.210   9.135   9.625
  170    HB3  ASN1919           HB3      ASN1919   8.104   7.803  10.345
  171   HD21  ASN1919          HD21      ASN1919   8.168   8.956  12.300
  172   HD22  ASN1919          HD22      ASN1919   9.274  10.268  12.530
  173    H    LYS1920           H        LYS1920   9.624   5.971   8.535
  174    HA   LYS1920           HA       LYS1920  12.317   6.638   9.391
  175    HB2  LYS1920           HB2      LYS1920  12.522   4.038   9.497
  176    HB3  LYS1920           HB3      LYS1920  11.682   4.901  10.763
  177    HG2  LYS1920           HG2      LYS1920   9.536   4.218   9.854
  178    HG3  LYS1920           HG3      LYS1920  10.313   3.389   8.487
  179    HD2  LYS1920           HD2      LYS1920  11.440   1.883  10.031
  180    HD3  LYS1920           HD3      LYS1920  10.761   2.738  11.414
  181    HE2  LYS1920           HE2      LYS1920   8.615   1.922  11.018
  182    HE3  LYS1920           HE3      LYS1920   8.969   1.532   9.336
  183    HZ1  LYS1920           HZ1      LYS1920  10.127   0.124  11.685
  184    HZ2  LYS1920           HZ2      LYS1920  10.358  -0.280  10.056
  185    HZ3  LYS1920           HZ3      LYS1920   8.828  -0.452  10.758
  186    H    LEU1921           H        LEU1921  10.540   5.755   6.646
  187    HA   LEU1921           HA       LEU1921  12.915   4.915   5.210
  188    HB2  LEU1921           HB2      LEU1921  10.105   5.344   4.212
  189    HB3  LEU1921           HB3      LEU1921  11.424   4.630   3.302
  190    HG   LEU1921           HG       LEU1921   9.956   3.480   5.652
  191   HD11  LEU1921          HD11      LEU1921   9.090   3.238   3.349
  192   HD12  LEU1921          HD12      LEU1921  10.569   2.363   2.936
  193   HD13  LEU1921          HD13      LEU1921   9.472   1.702   4.155
  194   HD21  LEU1921          HD21      LEU1921  11.539   1.645   5.681
  195   HD22  LEU1921          HD22      LEU1921  12.508   2.433   4.434
  196   HD23  LEU1921          HD23      LEU1921  12.362   3.164   6.033
  197    H    ARG1922           H        ARG1922  11.253   7.768   5.916
  198    HA   ARG1922           HA       ARG1922  12.596   9.185   3.752
  199    HB2  ARG1922           HB2      ARG1922  10.186   9.595   4.826
  200    HB3  ARG1922           HB3      ARG1922  11.133  10.609   5.905
  201    HG2  ARG1922           HG2      ARG1922  11.542  12.148   4.314
  202    HG3  ARG1922           HG3      ARG1922  11.667  10.928   3.035
  203    HD2  ARG1922           HD2      ARG1922   9.406  10.846   2.688
  204    HD3  ARG1922           HD3      ARG1922   9.030  11.436   4.308
  205    HE   ARG1922           HE       ARG1922  10.321  13.318   2.493
  206   HH11  ARG1922          HH12      ARG1922   7.390  12.123   3.952
  207   HH12  ARG1922          HH11      ARG1922   6.510  13.608   3.741
  208   HH21  ARG1922          HH22      ARG1922   9.181  15.301   2.219
  209   HH22  ARG1922          HH21      ARG1922   7.526  15.415   2.763
  210    H    ARG1923           H        ARG1923  13.280   7.866   6.557
  211    HA   ARG1923           HA       ARG1923  15.510   9.674   7.132
  212    HB2  ARG1923           HB2      ARG1923  13.596   8.237   8.938
  213    HB3  ARG1923           HB3      ARG1923  15.235   8.498   9.490
  214    HG2  ARG1923           HG2      ARG1923  14.958  10.911   9.177
  215    HG3  ARG1923           HG3      ARG1923  13.303  10.635   8.632
  216    HD2  ARG1923           HD2      ARG1923  12.683   9.759  10.781
  217    HD3  ARG1923           HD3      ARG1923  14.356   9.816  11.334
  218    HE   ARG1923           HE       ARG1923  13.985  12.368  10.823
  219   HH11  ARG1923          HH12      ARG1923  11.832  10.105  12.394
  220   HH12  ARG1923          HH11      ARG1923  11.037  11.326  13.348
  221   HH21  ARG1923          HH22      ARG1923  12.990  13.970  12.093
  222   HH22  ARG1923          HH21      ARG1923  11.704  13.533  13.182
  223    H    GLY1924           H        GLY1924  16.754   7.818   8.893
  224    HA2  GLY1924           HA2      GLY1924  17.930   5.881   9.069
  225    HA3  GLY1924           HA3      GLY1924  16.839   5.189   7.883
  226    H    ASP1925           H        ASP1925  18.432   8.075   6.925
  227    HA   ASP1925           HA       ASP1925  19.816   8.484   5.156
  228    HB2  ASP1925           HB2      ASP1925  21.489   7.698   6.810
  229    HB3  ASP1925           HB3      ASP1925  21.277   6.052   6.229
  230    H    LEU1926           H        LEU1926  17.509   6.887   4.776
  231    HA   LEU1926           HA       LEU1926  17.772   4.530   3.395
  232    HB2  LEU1926           HB2      LEU1926  15.731   6.658   3.535
  233    HB3  LEU1926           HB3      LEU1926  15.620   5.575   2.167
  234    HG   LEU1926           HG       LEU1926  14.830   5.150   4.960
  235   HD11  LEU1926          HD11      LEU1926  13.494   3.410   3.831
  236   HD12  LEU1926          HD12      LEU1926  13.396   4.942   2.960
  237   HD13  LEU1926          HD13      LEU1926  14.414   3.640   2.343
  238   HD21  LEU1926          HD21      LEU1926  16.951   3.870   5.026
  239   HD22  LEU1926          HD22      LEU1926  15.539   2.812   5.072
  240   HD23  LEU1926          HD23      LEU1926  16.461   2.982   3.579
  241    HA   PRO1927           HA       PRO1927  19.218   5.768  -0.647
  242    HB2  PRO1927           HB2      PRO1927  19.271   3.343  -1.742
  243    HB3  PRO1927           HB3      PRO1927  20.403   3.766  -0.450
  244    HG2  PRO1927           HG2      PRO1927  17.897   2.145  -0.322
  245    HG3  PRO1927           HG3      PRO1927  19.442   1.886   0.505
  246    HD2  PRO1927           HD2      PRO1927  17.194   3.083   1.628
  247    HD3  PRO1927           HD3      PRO1927  18.850   3.230   2.244
  248    H    PHE1928           H        PHE1928  16.201   5.226   0.279
  249    HA   PHE1928           HA       PHE1928  15.105   5.425  -2.389
  250    HB2  PHE1928           HB2      PHE1928  14.288   3.355  -2.506
  251    HB3  PHE1928           HB3      PHE1928  15.206   2.977  -1.081
  252    HD1  PHE1928           HD2      PHE1928  12.071   4.706  -1.838
  253    HD2  PHE1928           HD1      PHE1928  14.040   1.745   0.459
  254    HE1  PHE1928           HE2      PHE1928   9.972   4.229  -0.646
  255    HE2  PHE1928           HE1      PHE1928  11.959   1.266   1.653
  256    HZ   PHE1928           HZ       PHE1928   9.989   2.212   1.035
  257    H    VAL1929           H        VAL1929  13.288   6.528  -2.517
  258    HA   VAL1929           HA       VAL1929  11.625   7.323  -0.351
  259    HB   VAL1929           HB       VAL1929  12.281   9.810  -0.675
  260   HG11  VAL1929          HG11      VAL1929  13.917   9.687   1.133
  261   HG12  VAL1929          HG12      VAL1929  12.548   8.608   1.420
  262   HG13  VAL1929          HG13      VAL1929  14.081   7.951   0.851
  263   HG21  VAL1929          HG21      VAL1929  14.642  10.160  -1.201
  264   HG22  VAL1929          HG22      VAL1929  14.824   8.427  -1.495
  265   HG23  VAL1929          HG23      VAL1929  13.784   9.391  -2.542
  266    H    VAL1930           H        VAL1930   9.988   8.866  -1.119
  267    HA   VAL1930           HA       VAL1930   9.440   8.487  -3.889
  268    HB   VAL1930           HB       VAL1930   8.031  10.318  -1.955
  269   HG11  VAL1930          HG11      VAL1930   7.592  10.946  -4.242
  270   HG12  VAL1930          HG12      VAL1930   7.266   9.268  -4.678
  271   HG13  VAL1930          HG13      VAL1930   6.174  10.126  -3.594
  272   HG21  VAL1930          HG21      VAL1930   6.386   8.507  -1.794
  273   HG22  VAL1930          HG22      VAL1930   7.417   7.492  -2.800
  274   HG23  VAL1930          HG23      VAL1930   7.973   8.007  -1.205
  275    HA   PRO1931           HA       PRO1931  11.503  12.227  -5.264
  276    HB2  PRO1931           HB2      PRO1931  11.164  11.789  -7.873
  277    HB3  PRO1931           HB3      PRO1931  12.285  10.793  -6.934
  278    HG2  PRO1931           HG2      PRO1931   9.461  10.188  -7.767
  279    HG3  PRO1931           HG3      PRO1931  10.899   9.151  -7.868
  280    HD2  PRO1931           HD2      PRO1931   9.074   8.984  -5.850
  281    HD3  PRO1931           HD3      PRO1931  10.790   8.571  -5.642
  282    H    ARG1932           H        ARG1932  10.831  14.089  -6.611
  283    HA   ARG1932           HA       ARG1932   8.183  14.944  -6.411
  284    HB2  ARG1932           HB2      ARG1932   8.833  16.473  -8.371
  285    HB3  ARG1932           HB3      ARG1932   9.776  16.613  -6.892
  286    HG2  ARG1932           HG2      ARG1932  11.574  15.349  -7.843
  287    HG3  ARG1932           HG3      ARG1932  10.616  14.981  -9.277
  288    HD2  ARG1932           HD2      ARG1932  11.329  17.781  -8.444
  289    HD3  ARG1932           HD3      ARG1932  12.332  16.814  -9.525
  290    HE   ARG1932           HE       ARG1932  10.001  16.678 -10.784
  291   HH11  ARG1932          HH12      ARG1932  11.551  19.439  -9.277
  292   HH12  ARG1932          HH11      ARG1932  10.943  20.578 -10.447
  293   HH21  ARG1932          HH22      ARG1932   9.182  18.167 -12.307
  294   HH22  ARG1932          HH21      ARG1932   9.594  19.854 -12.164
  295    H    ARG1933           H        ARG1933   6.488  13.902  -7.204
  296    HA   ARG1933           HA       ARG1933   5.079  12.761  -8.580
  297    HB2  ARG1933           HB2      ARG1933   7.015  13.514 -10.781
  298    HB3  ARG1933           HB3      ARG1933   5.375  12.924 -11.001
  299    HG2  ARG1933           HG2      ARG1933   4.452  14.918 -10.086
  300    HG3  ARG1933           HG3      ARG1933   6.046  15.484  -9.576
  301    HD2  ARG1933           HD2      ARG1933   5.426  16.644 -11.582
  302    HD3  ARG1933           HD3      ARG1933   6.737  15.522 -11.953
  303    HE   ARG1933           HE       ARG1933   4.159  14.379 -12.429
  304   HH11  ARG1933          HH12      ARG1933   6.631  16.457 -13.791
  305   HH12  ARG1933          HH11      ARG1933   6.123  16.182 -15.430
  306   HH21  ARG1933          HH22      ARG1933   3.496  14.030 -14.572
  307   HH22  ARG1933          HH21      ARG1933   4.345  14.807 -15.874
  308    H    MET1934           H        MET1934   5.519  11.053 -10.727
  309    HA   MET1934           HA       MET1934   7.256   9.028  -9.521
  310    HB2  MET1934           HB2      MET1934   4.978   8.912 -11.462
  311    HB3  MET1934           HB3      MET1934   6.150   7.600 -11.420
  312    HG2  MET1934           HG2      MET1934   4.245   7.078 -10.031
  313    HG3  MET1934           HG3      MET1934   5.695   7.263  -9.047
  314    HE1  MET1934           HE1      MET1934   4.996   7.989  -6.683
  315    HE2  MET1934           HE2      MET1934   3.401   8.690  -6.404
  316    HE3  MET1934           HE3      MET1934   3.553   7.156  -7.264
  317    H    ALA1935           H        ALA1935   7.420  11.434 -11.683
  318    HA   ALA1935           HA       ALA1935   8.944  12.114 -13.201
  319    HB1  ALA1935           HB1      ALA1935  10.419  11.768 -11.322
  320    HB2  ALA1935           HB2      ALA1935  10.623  10.070 -11.758
  321    HB3  ALA1935           HB3      ALA1935  11.244  11.336 -12.821
  322    H    MET   1           H1       MET   1   0.010  -3.683 -17.935
  323    HA   MET   1           HA       MET   1   1.871  -4.081 -20.189
  324    HB2  MET   1           HB2      MET   1   0.631  -2.259 -21.293
  325    HB3  MET   1           HB3      MET   1  -0.359  -3.683 -21.026
  326    HG2  MET   1           HG2      MET   1  -1.774  -1.945 -20.494
  327    HG3  MET   1           HG3      MET   1  -1.179  -2.463 -18.920
  328    HE1  MET   1           HE1      MET   1  -0.859   0.223 -21.779
  329    HE2  MET   1           HE2      MET   1   0.396   1.277 -21.129
  330    HE3  MET   1           HE3      MET   1   0.794  -0.371 -21.613
  331    H    ALA   2           H        ALA   2   0.994  -2.309 -17.314
  332    HA   ALA   2           HA       ALA   2   3.130  -0.361 -17.874
  333    HB1  ALA   2           HB1      ALA   2   2.209   0.952 -16.092
  334    HB2  ALA   2           HB2      ALA   2   0.893   0.451 -17.155
  335    HB3  ALA   2           HB3      ALA   2   1.142  -0.369 -15.612
  336    H    CYS   3           H        CYS   3   4.516   0.222 -15.902
  337    HA   CYS   3           HA       CYS   3   5.776  -2.063 -14.823
  338    HB2  CYS   3           HB2      CYS   3   5.890   0.814 -13.889
  339    HB3  CYS   3           HB3      CYS   3   6.999  -0.463 -13.397
  340    HG   CYS   3           HG       CYS   3   7.616   1.598 -15.642
  341    HA   PRO   4           HA       PRO   4   2.264  -3.049 -12.313
  342    HB2  PRO   4           HB2      PRO   4   4.305  -4.860 -11.099
  343    HB3  PRO   4           HB3      PRO   4   2.679  -5.238 -11.691
  344    HG2  PRO   4           HG2      PRO   4   4.736  -5.925 -13.164
  345    HG3  PRO   4           HG3      PRO   4   3.353  -5.134 -13.945
  346    HD2  PRO   4           HD2      PRO   4   5.988  -3.957 -13.123
  347    HD3  PRO   4           HD3      PRO   4   5.085  -3.741 -14.640
  348    H    LEU   5           H        LEU   5   5.295  -3.324 -10.421
  349    HA   LEU   5           HA       LEU   5   4.000  -2.565  -8.026
  350    HB2  LEU   5           HB2      LEU   5   6.389  -3.722  -8.664
  351    HB3  LEU   5           HB3      LEU   5   6.902  -2.127  -8.148
  352    HG   LEU   5           HG       LEU   5   6.954  -3.822  -6.337
  353   HD11  LEU   5          HD11      LEU   5   5.836  -2.459  -4.651
  354   HD12  LEU   5          HD12      LEU   5   6.748  -1.468  -5.793
  355   HD13  LEU   5          HD13      LEU   5   4.992  -1.578  -5.925
  356   HD21  LEU   5          HD21      LEU   5   5.026  -5.147  -7.028
  357   HD22  LEU   5          HD22      LEU   5   4.856  -4.593  -5.362
  358   HD23  LEU   5          HD23      LEU   5   3.956  -3.796  -6.651
  359    H    GLU   6           H        GLU   6   5.749  -0.755 -10.477
  360    HA   GLU   6           HA       GLU   6   6.019   1.649  -9.078
  361    HB2  GLU   6           HB2      GLU   6   7.155   1.262 -11.216
  362    HB3  GLU   6           HB3      GLU   6   5.604   1.253 -12.046
  363    HG2  GLU   6           HG2      GLU   6   5.251   3.589 -11.382
  364    HG3  GLU   6           HG3      GLU   6   6.827   3.590 -10.593
  365    H    LYS   7           H        LYS   7   3.445   0.473 -11.194
  366    HA   LYS   7           HA       LYS   7   1.748   2.680 -11.034
  367    HB2  LYS   7           HB2      LYS   7   1.247  -0.242 -11.527
  368    HB3  LYS   7           HB3      LYS   7  -0.085   0.898 -11.440
  369    HG2  LYS   7           HG2      LYS   7   2.221   1.333 -13.305
  370    HG3  LYS   7           HG3      LYS   7   0.861   0.299 -13.740
  371    HD2  LYS   7           HD2      LYS   7   0.311   2.393 -14.634
  372    HD3  LYS   7           HD3      LYS   7  -0.622   2.298 -13.140
  373    HE2  LYS   7           HE2      LYS   7   0.290   4.462 -13.170
  374    HE3  LYS   7           HE3      LYS   7   1.292   3.551 -12.042
  375    HZ1  LYS   7           HZ1      LYS   7   2.731   4.810 -13.414
  376    HZ2  LYS   7           HZ2      LYS   7   1.945   4.318 -14.826
  377    HZ3  LYS   7           HZ3      LYS   7   2.863   3.202 -13.944
  378    H    ALA   8           H        ALA   8   2.122  -0.082  -8.869
  379    HA   ALA   8           HA       ALA   8  -0.137   0.075  -7.337
  380    HB1  ALA   8           HB1      ALA   8   1.133  -0.906  -5.515
  381    HB2  ALA   8           HB2      ALA   8   1.583  -1.636  -7.055
  382    HB3  ALA   8           HB3      ALA   8   2.642  -0.447  -6.300
  383    H    LEU   9           H        LEU   9   2.859   1.950  -6.740
  384    HA   LEU   9           HA       LEU   9   1.577   3.420  -4.613
  385    HB2  LEU   9           HB2      LEU   9   4.204   4.043  -5.969
  386    HB3  LEU   9           HB3      LEU   9   3.631   4.698  -4.450
  387    HG   LEU   9           HG       LEU   9   5.158   3.116  -3.756
  388   HD11  LEU   9          HD11      LEU   9   3.061   2.755  -2.613
  389   HD12  LEU   9          HD12      LEU   9   2.543   1.633  -3.871
  390   HD13  LEU   9          HD13      LEU   9   3.911   1.226  -2.833
  391   HD21  LEU   9          HD21      LEU   9   5.624   2.147  -5.940
  392   HD22  LEU   9          HD22      LEU   9   5.423   0.893  -4.713
  393   HD23  LEU   9          HD23      LEU   9   4.121   1.223  -5.856
  394    H    ASP  10           H        ASP  10   2.454   3.998  -7.957
  395    HA   ASP  10           HA       ASP  10   1.941   6.731  -8.137
  396    HB2  ASP  10           HB2      ASP  10   3.062   5.564  -9.920
  397    HB3  ASP  10           HB3      ASP  10   1.665   4.527 -10.186
  398    H    VAL  11           H        VAL  11  -0.243   3.980  -8.573
  399    HA   VAL  11           HA       VAL  11  -2.410   5.626  -9.426
  400    HB   VAL  11           HB       VAL  11  -3.760   3.659  -9.457
  401   HG11  VAL  11          HG11      VAL  11  -2.438   2.244 -10.923
  402   HG12  VAL  11          HG12      VAL  11  -2.122   3.950 -11.243
  403   HG13  VAL  11          HG13      VAL  11  -0.956   2.992 -10.329
  404   HG21  VAL  11          HG21      VAL  11  -3.146   2.698  -7.316
  405   HG22  VAL  11          HG22      VAL  11  -2.971   1.502  -8.600
  406   HG23  VAL  11          HG23      VAL  11  -1.543   2.297  -7.936
  407    H    MET  12           H        MET  12  -1.323   4.462  -6.303
  408    HA   MET  12           HA       MET  12  -3.711   4.706  -4.879
  409    HB2  MET  12           HB2      MET  12  -0.898   5.314  -3.957
  410    HB3  MET  12           HB3      MET  12  -2.290   5.263  -2.888
  411    HG2  MET  12           HG2      MET  12  -2.607   2.865  -3.782
  412    HG3  MET  12           HG3      MET  12  -0.944   3.024  -4.340
  413    HE1  MET  12           HE1      MET  12  -0.125   1.039  -3.010
  414    HE2  MET  12           HE2      MET  12  -0.279   0.827  -1.261
  415    HE3  MET  12           HE3      MET  12  -1.703   0.688  -2.296
  416    H    VAL  13           H        VAL  13  -1.172   7.176  -5.329
  417    HA   VAL  13           HA       VAL  13  -2.799   9.235  -4.192
  418    HB   VAL  13           HB       VAL  13  -1.023  10.794  -4.974
  419   HG11  VAL  13          HG11      VAL  13  -0.061   8.347  -3.489
  420   HG12  VAL  13          HG12      VAL  13   0.756   9.918  -3.516
  421   HG13  VAL  13          HG13      VAL  13  -0.847   9.762  -2.784
  422   HG21  VAL  13          HG21      VAL  13   0.263   8.289  -6.049
  423   HG22  VAL  13          HG22      VAL  13  -0.347   9.645  -7.002
  424   HG23  VAL  13          HG23      VAL  13   1.033   9.873  -5.926
  425    H    SER  14           H        SER  14  -2.504   7.902  -7.363
  426    HA   SER  14           HA       SER  14  -3.478  10.233  -8.743
  427    HB2  SER  14           HB2      SER  14  -3.129   7.368  -9.643
  428    HB3  SER  14           HB3      SER  14  -3.646   8.683 -10.700
  429    HG   SER  14           HG       SER  14  -1.143   8.183  -9.546
  430    H    THR  15           H        THR  15  -4.865   7.007  -8.092
  431    HA   THR  15           HA       THR  15  -7.472   7.630  -8.902
  432    HB   THR  15           HB       THR  15  -6.629   5.577  -6.842
  433    HG1  THR  15           HG1      THR  15  -6.987   4.367  -9.095
  434   HG21  THR  15          HG21      THR  15  -9.056   5.942  -6.917
  435   HG22  THR  15          HG22      THR  15  -8.625   4.358  -7.567
  436   HG23  THR  15          HG23      THR  15  -9.039   5.681  -8.662
  437    H    PHE  16           H        PHE  16  -5.706   8.277  -5.993
  438    HA   PHE  16           HA       PHE  16  -7.596   8.919  -4.117
  439    HB2  PHE  16           HB2      PHE  16  -4.863   9.590  -4.639
  440    HB3  PHE  16           HB3      PHE  16  -5.710  11.041  -4.117
  441    HD1  PHE  16           HD1      PHE  16  -7.232  10.714  -2.006
  442    HD2  PHE  16           HD2      PHE  16  -3.965   8.216  -3.059
  443    HE1  PHE  16           HE1      PHE  16  -7.033   9.989   0.333
  444    HE2  PHE  16           HE2      PHE  16  -3.764   7.482  -0.727
  445    HZ   PHE  16           HZ       PHE  16  -5.303   8.371   0.975
  446    H    HIS  17           H        HIS  17  -6.122  11.469  -6.145
  447    HA   HIS  17           HA       HIS  17  -8.167  13.320  -5.582
  448    HB2  HIS  17           HB2      HIS  17  -7.128  14.750  -7.298
  449    HB3  HIS  17           HB3      HIS  17  -5.943  14.086  -6.185
  450    HD1  HIS  17           HD1      HIS  17  -7.064  13.922  -9.769
  451    HD2  HIS  17           HD2      HIS  17  -4.018  12.428  -7.346
  452    HE1  HIS  17           HE1      HIS  17  -5.363  12.943 -11.336
  453    HE2  HIS  17           HE2      HIS  17  -3.479  12.146  -9.866
  454    H    LYS  18           H        LYS  18  -8.091  10.745  -7.740
  455    HA   LYS  18           HA       LYS  18  -9.800  11.685  -9.782
  456    HB2  LYS  18           HB2      LYS  18  -8.429   9.657  -9.971
  457    HB3  LYS  18           HB3      LYS  18  -9.379   8.887  -8.712
  458    HG2  LYS  18           HG2      LYS  18 -11.365   9.050 -10.191
  459    HG3  LYS  18           HG3      LYS  18 -10.311   9.673 -11.463
  460    HD2  LYS  18           HD2      LYS  18  -8.998   7.640 -11.416
  461    HD3  LYS  18           HD3      LYS  18  -9.956   7.022 -10.070
  462    HE2  LYS  18           HE2      LYS  18 -10.788   5.952 -11.992
  463    HE3  LYS  18           HE3      LYS  18 -11.965   7.200 -11.592
  464    HZ1  LYS  18           HZ1      LYS  18 -11.493   7.120 -13.961
  465    HZ2  LYS  18           HZ2      LYS  18  -9.852   7.424 -13.669
  466    HZ3  LYS  18           HZ3      LYS  18 -11.010   8.609 -13.304
  467    H    TYR  19           H        TYR  19 -10.368  10.454  -6.545
  468    HA   TYR  19           HA       TYR  19 -13.264  10.788  -6.989
  469    HB2  TYR  19           HB2      TYR  19 -11.871   8.838  -5.150
  470    HB3  TYR  19           HB3      TYR  19 -13.611   9.103  -5.191
  471    HD1  TYR  19           HD1      TYR  19 -14.912   8.467  -7.213
  472    HD2  TYR  19           HD2      TYR  19 -10.782   7.524  -6.798
  473    HE1  TYR  19           HE1      TYR  19 -15.105   6.807  -9.032
  474    HE2  TYR  19           HE2      TYR  19 -10.968   5.876  -8.605
  475    HH   TYR  19           HH       TYR  19 -12.558   4.583  -9.757
  476    H    SER  20           H        SER  20 -10.777  10.929  -4.400
  477    HA   SER  20           HA       SER  20 -12.504  12.313  -2.620
  478    HB2  SER  20           HB2      SER  20 -10.429  12.776  -1.299
  479    HB3  SER  20           HB3      SER  20 -10.622  11.073  -1.743
  480    HG   SER  20           HG       SER  20  -9.088  11.307  -3.328
  481    H    GLY  21           H        GLY  21 -10.298  13.340  -5.125
  482    HA2  GLY  21           HA2      GLY  21 -10.324  16.118  -4.519
  483    HA3  GLY  21           HA3      GLY  21  -9.941  15.406  -6.082
  484    H    LYS  22           H        LYS  22 -12.630  13.990  -5.870
  485    HA   LYS  22           HA       LYS  22 -14.227  15.983  -7.200
  486    HB2  LYS  22           HB2      LYS  22 -14.351  13.699  -7.965
  487    HB3  LYS  22           HB3      LYS  22 -14.724  13.122  -6.350
  488    HG2  LYS  22           HG2      LYS  22 -16.800  14.772  -6.720
  489    HG3  LYS  22           HG3      LYS  22 -16.478  14.309  -8.394
  490    HD2  LYS  22           HD2      LYS  22 -16.884  12.396  -6.094
  491    HD3  LYS  22           HD3      LYS  22 -18.096  12.801  -7.309
  492    HE2  LYS  22           HE2      LYS  22 -16.845  11.750  -9.023
  493    HE3  LYS  22           HE3      LYS  22 -15.413  11.629  -7.998
  494    HZ1  LYS  22           HZ1      LYS  22 -16.633   9.511  -8.212
  495    HZ2  LYS  22           HZ2      LYS  22 -17.981  10.233  -7.479
  496    HZ3  LYS  22           HZ3      LYS  22 -16.537  10.055  -6.602
  497    H    GLU  23           H        GLU  23 -14.057  14.416  -4.079
  498    HA   GLU  23           HA       GLU  23 -16.428  15.584  -2.991
  499    HB2  GLU  23           HB2      GLU  23 -15.397  13.496  -2.124
  500    HB3  GLU  23           HB3      GLU  23 -14.009  14.430  -1.583
  501    HG2  GLU  23           HG2      GLU  23 -15.777  15.794  -0.262
  502    HG3  GLU  23           HG3      GLU  23 -16.788  14.370  -0.503
  503    H    GLY  24           H        GLY  24 -12.955  16.210  -2.644
  504    HA2  GLY  24           HA2      GLY  24 -12.955  18.947  -2.701
  505    HA3  GLY  24           HA3      GLY  24 -13.323  18.550  -1.025
  506    H    ASP  25           H        ASP  25 -11.811  17.071   0.078
  507    HA   ASP  25           HA       ASP  25  -9.076  17.809  -0.388
  508    HB2  ASP  25           HB2      ASP  25 -10.107  15.590   1.398
  509    HB3  ASP  25           HB3      ASP  25  -8.528  16.360   1.479
  510    H    LYS  26           H        LYS  26  -7.985  16.973  -2.064
  511    HA   LYS  26           HA       LYS  26  -8.774  14.561  -3.349
  512    HB2  LYS  26           HB2      LYS  26  -7.039  14.950  -4.917
  513    HB3  LYS  26           HB3      LYS  26  -7.721  16.510  -4.509
  514    HG2  LYS  26           HG2      LYS  26  -5.315  15.565  -3.034
  515    HG3  LYS  26           HG3      LYS  26  -5.128  16.141  -4.686
  516    HD2  LYS  26           HD2      LYS  26  -6.378  17.719  -2.437
  517    HD3  LYS  26           HD3      LYS  26  -4.716  17.886  -2.990
  518    HE2  LYS  26           HE2      LYS  26  -5.552  18.489  -5.229
  519    HE3  LYS  26           HE3      LYS  26  -7.199  18.407  -4.614
  520    HZ1  LYS  26           HZ1      LYS  26  -5.077  20.288  -3.740
  521    HZ2  LYS  26           HZ2      LYS  26  -6.586  20.146  -2.989
  522    HZ3  LYS  26           HZ3      LYS  26  -6.489  20.673  -4.599
  523    H    PHE  27           H        PHE  27  -7.462  14.704  -0.494
  524    HA   PHE  27           HA       PHE  27  -5.953  12.223  -0.888
  525    HB2  PHE  27           HB2      PHE  27  -4.566  12.994   1.141
  526    HB3  PHE  27           HB3      PHE  27  -4.215  13.721  -0.424
  527    HD1  PHE  27           HD1      PHE  27  -6.429  14.307   2.530
  528    HD2  PHE  27           HD2      PHE  27  -3.925  15.981  -0.504
  529    HE1  PHE  27           HE1      PHE  27  -6.741  16.553   3.507
  530    HE2  PHE  27           HE2      PHE  27  -4.252  18.224   0.470
  531    HZ   PHE  27           HZ       PHE  27  -5.656  18.509   2.473
  532    H    LYS  28           H        LYS  28  -8.749  13.222   0.107
  533    HA   LYS  28           HA       LYS  28  -8.844  11.372   2.376
  534    HB2  LYS  28           HB2      LYS  28  -8.531  13.658   3.295
  535    HB3  LYS  28           HB3      LYS  28  -9.992  14.168   2.459
  536    HG2  LYS  28           HG2      LYS  28 -11.071  12.195   3.799
  537    HG3  LYS  28           HG3      LYS  28  -9.683  12.453   4.862
  538    HD2  LYS  28           HD2      LYS  28 -11.149  13.930   5.802
  539    HD3  LYS  28           HD3      LYS  28 -10.404  14.967   4.575
  540    HE2  LYS  28           HE2      LYS  28 -12.952  13.431   4.147
  541    HE3  LYS  28           HE3      LYS  28 -12.895  15.108   4.685
  542    HZ1  LYS  28           HZ1      LYS  28 -11.830  15.739   2.652
  543    HZ2  LYS  28           HZ2      LYS  28 -13.232  14.857   2.274
  544    HZ3  LYS  28           HZ3      LYS  28 -11.711  14.122   2.148
  545    H    LEU  29           H        LEU  29 -10.436  10.005   2.039
  546    HA   LEU  29           HA       LEU  29 -12.603  10.807   0.197
  547    HB2  LEU  29           HB2      LEU  29 -11.488   8.048   0.700
  548    HB3  LEU  29           HB3      LEU  29 -12.836   8.410  -0.358
  549    HG   LEU  29           HG       LEU  29 -11.101   9.934  -1.590
  550   HD11  LEU  29          HD11      LEU  29  -8.821   9.037  -1.513
  551   HD12  LEU  29          HD12      LEU  29  -9.309   9.701   0.045
  552   HD13  LEU  29          HD13      LEU  29  -9.295   7.956  -0.201
  553   HD21  LEU  29          HD21      LEU  29 -12.212   7.999  -2.555
  554   HD22  LEU  29          HD22      LEU  29 -10.511   8.045  -3.021
  555   HD23  LEU  29          HD23      LEU  29 -11.053   6.927  -1.769
  556    H    ASN  30           H        ASN  30 -14.643  10.781   0.909
  557    HA   ASN  30           HA       ASN  30 -15.304   9.537   3.445
  558    HB2  ASN  30           HB2      ASN  30 -17.421  10.570   3.267
  559    HB3  ASN  30           HB3      ASN  30 -16.311  11.734   2.553
  560   HD21  ASN  30          HD21      ASN  30 -16.284  11.991   0.288
  561   HD22  ASN  30          HD22      ASN  30 -17.645  11.505  -0.677
  562    H    LYS  31           H        LYS  31 -17.724   8.435   3.140
  563    HA   LYS  31           HA       LYS  31 -17.259   5.840   2.368
  564    HB2  LYS  31           HB2      LYS  31 -20.027   6.899   2.023
  565    HB3  LYS  31           HB3      LYS  31 -19.488   5.407   2.775
  566    HG2  LYS  31           HG2      LYS  31 -18.732   6.651   4.728
  567    HG3  LYS  31           HG3      LYS  31 -19.247   8.162   3.967
  568    HD2  LYS  31           HD2      LYS  31 -21.549   7.018   3.769
  569    HD3  LYS  31           HD3      LYS  31 -20.925   5.886   4.969
  570    HE2  LYS  31           HE2      LYS  31 -21.170   8.877   5.281
  571    HE3  LYS  31           HE3      LYS  31 -22.192   7.659   6.042
  572    HZ1  LYS  31           HZ1      LYS  31 -19.310   8.144   6.538
  573    HZ2  LYS  31           HZ2      LYS  31 -20.156   6.809   7.151
  574    HZ3  LYS  31           HZ3      LYS  31 -20.591   8.379   7.623
  575    H    SER  32           H        SER  32 -19.088   8.271   0.478
  576    HA   SER  32           HA       SER  32 -19.779   6.560  -1.589
  577    HB2  SER  32           HB2      SER  32 -19.523   9.567  -1.608
  578    HB3  SER  32           HB3      SER  32 -20.489   8.587  -2.689
  579    HG   SER  32           HG       SER  32 -21.441   9.617  -0.638
  580    H    GLU  33           H        GLU  33 -16.907   8.565  -1.151
  581    HA   GLU  33           HA       GLU  33 -16.141   8.403  -3.908
  582    HB2  GLU  33           HB2      GLU  33 -14.610   9.253  -1.444
  583    HB3  GLU  33           HB3      GLU  33 -13.940   9.291  -3.075
  584    HG2  GLU  33           HG2      GLU  33 -16.104  10.977  -1.897
  585    HG3  GLU  33           HG3      GLU  33 -14.652  11.467  -2.761
  586    H    LEU  34           H        LEU  34 -15.278   6.774  -0.916
  587    HA   LEU  34           HA       LEU  34 -13.338   5.054  -2.013
  588    HB2  LEU  34           HB2      LEU  34 -15.032   5.067   0.433
  589    HB3  LEU  34           HB3      LEU  34 -14.231   3.570  -0.011
  590    HG   LEU  34           HG       LEU  34 -12.756   6.172   0.302
  591   HD11  LEU  34          HD11      LEU  34 -12.057   5.284   2.499
  592   HD12  LEU  34          HD12      LEU  34 -13.774   5.694   2.407
  593   HD13  LEU  34          HD13      LEU  34 -13.261   4.005   2.327
  594   HD21  LEU  34          HD21      LEU  34 -11.633   4.527  -1.041
  595   HD22  LEU  34          HD22      LEU  34 -10.827   4.645   0.525
  596   HD23  LEU  34          HD23      LEU  34 -11.903   3.288   0.184
  597    H    LYS  35           H        LYS  35 -16.843   4.702  -1.566
  598    HA   LYS  35           HA       LYS  35 -17.047   2.077  -2.457
  599    HB2  LYS  35           HB2      LYS  35 -18.937   3.302  -1.443
  600    HB3  LYS  35           HB3      LYS  35 -19.072   4.277  -2.903
  601    HG2  LYS  35           HG2      LYS  35 -19.825   2.488  -4.182
  602    HG3  LYS  35           HG3      LYS  35 -19.229   1.290  -3.034
  603    HD2  LYS  35           HD2      LYS  35 -21.560   1.301  -2.755
  604    HD3  LYS  35           HD3      LYS  35 -20.939   2.250  -1.404
  605    HE2  LYS  35           HE2      LYS  35 -21.386   4.305  -2.727
  606    HE3  LYS  35           HE3      LYS  35 -22.128   3.280  -3.959
  607    HZ1  LYS  35           HZ1      LYS  35 -23.757   4.273  -2.440
  608    HZ2  LYS  35           HZ2      LYS  35 -23.032   3.457  -1.136
  609    HZ3  LYS  35           HZ3      LYS  35 -23.778   2.578  -2.383
  610    H    GLU  36           H        GLU  36 -17.403   5.064  -4.369
  611    HA   GLU  36           HA       GLU  36 -17.767   3.757  -6.819
  612    HB2  GLU  36           HB2      GLU  36 -18.091   6.249  -6.196
  613    HB3  GLU  36           HB3      GLU  36 -16.386   6.413  -6.602
  614    HG2  GLU  36           HG2      GLU  36 -16.817   5.584  -8.843
  615    HG3  GLU  36           HG3      GLU  36 -18.519   5.355  -8.442
  616    H    LEU  37           H        LEU  37 -14.846   4.920  -5.207
  617    HA   LEU  37           HA       LEU  37 -12.926   4.343  -7.116
  618    HB2  LEU  37           HB2      LEU  37 -12.690   5.446  -4.824
  619    HB3  LEU  37           HB3      LEU  37 -12.597   3.822  -4.171
  620    HG   LEU  37           HG       LEU  37 -10.694   4.502  -6.346
  621   HD11  LEU  37          HD11      LEU  37 -10.653   6.512  -4.962
  622   HD12  LEU  37          HD12      LEU  37 -10.420   5.521  -3.522
  623   HD13  LEU  37          HD13      LEU  37  -9.172   5.576  -4.766
  624   HD21  LEU  37          HD21      LEU  37 -10.732   2.281  -5.312
  625   HD22  LEU  37          HD22      LEU  37  -9.214   3.118  -4.989
  626   HD23  LEU  37          HD23      LEU  37 -10.448   3.013  -3.732
  627    H    LEU  38           H        LEU  38 -14.081   2.201  -4.522
  628    HA   LEU  38           HA       LEU  38 -12.673  -0.060  -5.444
  629    HB2  LEU  38           HB2      LEU  38 -14.952   0.344  -3.548
  630    HB3  LEU  38           HB3      LEU  38 -14.491  -1.281  -4.024
  631    HG   LEU  38           HG       LEU  38 -12.109   0.038  -3.259
  632   HD11  LEU  38          HD11      LEU  38 -13.421   1.696  -2.089
  633   HD12  LEU  38          HD12      LEU  38 -14.340   0.431  -1.275
  634   HD13  LEU  38          HD13      LEU  38 -12.622   0.631  -0.931
  635   HD21  LEU  38          HD21      LEU  38 -12.094  -1.667  -1.498
  636   HD22  LEU  38          HD22      LEU  38 -13.784  -2.031  -1.844
  637   HD23  LEU  38          HD23      LEU  38 -12.548  -2.344  -3.062
  638    H    THR  39           H        THR  39 -16.009   1.013  -6.018
  639    HA   THR  39           HA       THR  39 -16.890  -1.310  -7.328
  640    HB   THR  39           HB       THR  39 -18.651   0.074  -8.376
  641    HG1  THR  39           HG1      THR  39 -16.885   2.083  -7.762
  642   HG21  THR  39          HG21      THR  39 -18.181   0.749  -5.474
  643   HG22  THR  39          HG22      THR  39 -18.927  -0.733  -6.072
  644   HG23  THR  39          HG23      THR  39 -19.726   0.820  -6.325
  645    H    ARG  40           H        ARG  40 -14.921   1.304  -8.465
  646    HA   ARG  40           HA       ARG  40 -15.294   0.584 -11.258
  647    HB2  ARG  40           HB2      ARG  40 -13.560   2.701  -9.976
  648    HB3  ARG  40           HB3      ARG  40 -13.790   2.492 -11.706
  649    HG2  ARG  40           HG2      ARG  40 -16.000   3.114  -9.760
  650    HG3  ARG  40           HG3      ARG  40 -15.134   4.321 -10.713
  651    HD2  ARG  40           HD2      ARG  40 -16.610   1.991 -11.916
  652    HD3  ARG  40           HD3      ARG  40 -17.335   3.578 -11.647
  653    HE   ARG  40           HE       ARG  40 -15.296   4.333 -13.082
  654   HH11  ARG  40          HH12      ARG  40 -17.138   1.383 -13.517
  655   HH12  ARG  40          HH11      ARG  40 -17.016   1.407 -15.252
  656   HH21  ARG  40          HH22      ARG  40 -15.119   4.362 -15.358
  657   HH22  ARG  40          HH21      ARG  40 -15.833   3.085 -16.299
  658    H    GLU  41           H        GLU  41 -12.525   0.922  -9.026
  659    HA   GLU  41           HA       GLU  41 -10.942  -0.599 -10.960
  660    HB2  GLU  41           HB2      GLU  41 -10.230   1.415  -8.860
  661    HB3  GLU  41           HB3      GLU  41  -9.007   0.361  -9.563
  662    HG2  GLU  41           HG2      GLU  41  -9.355   1.224 -11.714
  663    HG3  GLU  41           HG3      GLU  41 -10.836   2.043 -11.239
  664    H    LEU  42           H        LEU  42 -12.457  -1.115  -7.988
  665    HA   LEU  42           HA       LEU  42 -10.711  -3.452  -7.537
  666    HB2  LEU  42           HB2      LEU  42 -12.026  -1.839  -5.346
  667    HB3  LEU  42           HB3      LEU  42 -10.988  -3.233  -5.134
  668    HG   LEU  42           HG       LEU  42  -9.170  -1.786  -6.257
  669   HD11  LEU  42          HD11      LEU  42 -10.573   0.009  -7.065
  670   HD12  LEU  42          HD12      LEU  42 -11.152   0.350  -5.429
  671   HD13  LEU  42          HD13      LEU  42  -9.456   0.631  -5.846
  672   HD21  LEU  42          HD21      LEU  42  -8.570  -0.832  -4.091
  673   HD22  LEU  42          HD22      LEU  42 -10.205  -1.126  -3.502
  674   HD23  LEU  42          HD23      LEU  42  -9.161  -2.485  -3.920
  675    HA   PRO  43           HA       PRO  43 -15.443  -4.093  -7.484
  676    HB2  PRO  43           HB2      PRO  43 -15.931  -5.284  -9.854
  677    HB3  PRO  43           HB3      PRO  43 -15.888  -3.528  -9.666
  678    HG2  PRO  43           HG2      PRO  43 -13.820  -5.367 -10.776
  679    HG3  PRO  43           HG3      PRO  43 -14.281  -3.741 -11.308
  680    HD2  PRO  43           HD2      PRO  43 -12.067  -4.318  -9.765
  681    HD3  PRO  43           HD3      PRO  43 -12.861  -2.734  -9.824
  682    H    SER  44           H        SER  44 -12.855  -6.175  -8.541
  683    HA   SER  44           HA       SER  44 -14.163  -8.637  -7.978
  684    HB2  SER  44           HB2      SER  44 -11.731  -9.483  -7.990
  685    HB3  SER  44           HB3      SER  44 -12.333  -8.753  -9.478
  686    HG   SER  44           HG       SER  44 -10.458  -7.729  -9.185
  687    H    PHE  45           H        PHE  45 -12.621  -6.212  -6.123
  688    HA   PHE  45           HA       PHE  45 -12.208  -7.937  -3.809
  689    HB2  PHE  45           HB2      PHE  45 -11.674  -4.975  -4.142
  690    HB3  PHE  45           HB3      PHE  45 -11.170  -5.974  -2.782
  691    HD1  PHE  45           HD1      PHE  45  -9.535  -7.861  -3.228
  692    HD2  PHE  45           HD2      PHE  45 -10.338  -4.771  -6.040
  693    HE1  PHE  45           HE1      PHE  45  -7.426  -8.371  -4.387
  694    HE2  PHE  45           HE2      PHE  45  -8.233  -5.275  -7.205
  695    HZ   PHE  45           HZ       PHE  45  -6.772  -7.079  -6.378
  696    H    LEU  46           H        LEU  46 -14.866  -6.823  -5.050
  697    HA   LEU  46           HA       LEU  46 -15.992  -5.947  -2.468
  698    HB2  LEU  46           HB2      LEU  46 -16.888  -5.204  -5.249
  699    HB3  LEU  46           HB3      LEU  46 -17.729  -4.759  -3.767
  700    HG   LEU  46           HG       LEU  46 -14.940  -3.890  -4.536
  701   HD11  LEU  46          HD11      LEU  46 -16.657  -2.843  -5.901
  702   HD12  LEU  46          HD12      LEU  46 -17.548  -2.383  -4.451
  703   HD13  LEU  46          HD13      LEU  46 -15.962  -1.682  -4.770
  704   HD21  LEU  46          HD21      LEU  46 -15.123  -2.431  -2.575
  705   HD22  LEU  46          HD22      LEU  46 -16.675  -3.171  -2.177
  706   HD23  LEU  46          HD23      LEU  46 -15.203  -4.140  -2.130
  707    H    GLY  47           H        GLY  47 -16.038  -8.322  -4.874
  708    HA2  GLY  47           HA2      GLY  47 -17.404 -10.161  -5.189
  709    HA3  GLY  47           HA3      GLY  47 -18.342  -9.647  -3.790
  710    H    LYS  48           H        LYS  48 -17.952  -7.117  -5.909
  711    HA   LYS  48           HA       LYS  48 -19.256  -5.987  -7.370
  712    HB2  LYS  48           HB2      LYS  48 -20.155  -8.774  -8.078
  713    HB3  LYS  48           HB3      LYS  48 -20.700  -7.339  -8.924
  714    HG2  LYS  48           HG2      LYS  48 -18.971  -8.112 -10.259
  715    HG3  LYS  48           HG3      LYS  48 -18.192  -6.861  -9.291
  716    HD2  LYS  48           HD2      LYS  48 -16.768  -8.813  -9.408
  717    HD3  LYS  48           HD3      LYS  48 -17.360  -8.610  -7.758
  718    HE2  LYS  48           HE2      LYS  48 -17.477 -10.942  -8.364
  719    HE3  LYS  48           HE3      LYS  48 -19.109 -10.296  -8.216
  720    HZ1  LYS  48           HZ1      LYS  48 -18.985 -11.648 -10.164
  721    HZ2  LYS  48           HZ2      LYS  48 -17.620 -10.816 -10.731
  722    HZ3  LYS  48           HZ3      LYS  48 -19.124 -10.034 -10.664
  723    H    ARG  49           H        ARG  49 -20.315  -7.033  -4.670
  724    HA   ARG  49           HA       ARG  49 -23.120  -6.255  -5.071
  725    HB2  ARG  49           HB2      ARG  49 -23.741  -7.987  -3.406
  726    HB3  ARG  49           HB3      ARG  49 -23.018  -8.667  -4.859
  727    HG2  ARG  49           HG2      ARG  49 -20.843  -8.756  -3.645
  728    HG3  ARG  49           HG3      ARG  49 -21.705  -8.277  -2.184
  729    HD2  ARG  49           HD2      ARG  49 -21.469 -10.646  -2.158
  730    HD3  ARG  49           HD3      ARG  49 -23.161 -10.268  -2.478
  731    HE   ARG  49           HE       ARG  49 -21.736 -10.586  -4.908
  732   HH11  ARG  49          HH12      ARG  49 -23.094 -12.460  -2.271
  733   HH12  ARG  49          HH11      ARG  49 -23.257 -13.903  -3.224
  734   HH21  ARG  49          HH22      ARG  49 -21.946 -12.477  -6.152
  735   HH22  ARG  49          HH21      ARG  49 -22.627 -13.909  -5.437
  736    H    THR  50           H        THR  50 -21.215  -4.447  -4.330
  737    HA   THR  50           HA       THR  50 -21.153  -4.350  -1.424
  738    HB   THR  50           HB       THR  50 -19.772  -2.155  -2.263
  739    HG1  THR  50           HG1      THR  50 -19.602  -2.499  -4.373
  740   HG21  THR  50          HG21      THR  50 -19.077  -3.847  -0.623
  741   HG22  THR  50          HG22      THR  50 -17.794  -3.519  -1.788
  742   HG23  THR  50          HG23      THR  50 -18.762  -4.988  -1.930
  743    H    ASP  51           H        ASP  51 -22.730  -3.419  -0.451
  744    HA   ASP  51           HA       ASP  51 -23.670  -0.801  -1.436
  745    HB2  ASP  51           HB2      ASP  51 -25.389  -2.653  -1.103
  746    HB3  ASP  51           HB3      ASP  51 -25.033  -2.564   0.617
  747    H    GLU  52           H        GLU  52 -24.627   0.201   0.989
  748    HA   GLU  52           HA       GLU  52 -22.226   1.137   2.182
  749    HB2  GLU  52           HB2      GLU  52 -25.027   1.347   3.294
  750    HB3  GLU  52           HB3      GLU  52 -23.661   2.394   3.652
  751    HG2  GLU  52           HG2      GLU  52 -24.904   2.138   0.929
  752    HG3  GLU  52           HG3      GLU  52 -25.360   3.363   2.110
  753    H    ALA  53           H        ALA  53 -24.172  -1.604   2.682
  754    HA   ALA  53           HA       ALA  53 -23.693  -2.096   5.424
  755    HB1  ALA  53           HB1      ALA  53 -24.401  -4.377   4.944
  756    HB2  ALA  53           HB2      ALA  53 -25.470  -3.213   4.163
  757    HB3  ALA  53           HB3      ALA  53 -24.255  -4.070   3.214
  758    H    ALA  54           H        ALA  54 -22.127  -3.433   2.499
  759    HA   ALA  54           HA       ALA  54 -20.108  -4.826   3.906
  760    HB1  ALA  54           HB1      ALA  54 -20.644  -5.448   1.617
  761    HB2  ALA  54           HB2      ALA  54 -20.154  -3.850   1.042
  762    HB3  ALA  54           HB3      ALA  54 -18.944  -4.950   1.716
  763    H    PHE  55           H        PHE  55 -20.353  -1.571   2.642
  764    HA   PHE  55           HA       PHE  55 -17.580  -0.978   2.894
  765    HB2  PHE  55           HB2      PHE  55 -20.027   0.537   2.175
  766    HB3  PHE  55           HB3      PHE  55 -18.621   1.462   2.701
  767    HD1  PHE  55           HD1      PHE  55 -19.909  -0.862   0.163
  768    HD2  PHE  55           HD2      PHE  55 -16.661   1.599   1.377
  769    HE1  PHE  55           HE1      PHE  55 -18.883  -1.126  -2.057
  770    HE2  PHE  55           HE2      PHE  55 -15.632   1.340  -0.839
  771    HZ   PHE  55           HZ       PHE  55 -16.743  -0.026  -2.559
  772    H    GLN  56           H        GLN  56 -20.165  -0.972   5.146
  773    HA   GLN  56           HA       GLN  56 -19.337   1.084   6.859
  774    HB2  GLN  56           HB2      GLN  56 -21.531  -0.145   6.930
  775    HB3  GLN  56           HB3      GLN  56 -20.687  -1.480   7.700
  776    HG2  GLN  56           HG2      GLN  56 -20.117  -0.094   9.583
  777    HG3  GLN  56           HG3      GLN  56 -20.823   1.317   8.798
  778   HE21  GLN  56          HE21      GLN  56 -22.204  -1.908   8.740
  779   HE22  GLN  56          HE22      GLN  56 -23.605  -1.516   9.676
  780    H    LYS  57           H        LYS  57 -18.315  -2.284   6.619
  781    HA   LYS  57           HA       LYS  57 -16.665  -2.165   8.982
  782    HB2  LYS  57           HB2      LYS  57 -17.601  -4.194   7.200
  783    HB3  LYS  57           HB3      LYS  57 -15.848  -4.279   7.252
  784    HG2  LYS  57           HG2      LYS  57 -17.584  -4.284   9.709
  785    HG3  LYS  57           HG3      LYS  57 -17.062  -5.745   8.879
  786    HD2  LYS  57           HD2      LYS  57 -15.467  -5.564  10.534
  787    HD3  LYS  57           HD3      LYS  57 -14.664  -4.735   9.200
  788    HE2  LYS  57           HE2      LYS  57 -15.188  -2.601  10.111
  789    HE3  LYS  57           HE3      LYS  57 -16.281  -3.305  11.303
  790    HZ1  LYS  57           HZ1      LYS  57 -14.180  -2.699  12.307
  791    HZ2  LYS  57           HZ2      LYS  57 -13.334  -3.673  11.208
  792    HZ3  LYS  57           HZ3      LYS  57 -14.373  -4.385  12.342
  793    H    LEU  58           H        LEU  58 -16.253  -1.946   5.519
  794    HA   LEU  58           HA       LEU  58 -13.467  -1.954   5.345
  795    HB2  LEU  58           HB2      LEU  58 -14.843  -2.194   3.395
  796    HB3  LEU  58           HB3      LEU  58 -15.599  -0.637   3.668
  797    HG   LEU  58           HG       LEU  58 -13.593   0.525   3.044
  798   HD11  LEU  58          HD11      LEU  58 -12.354  -2.213   2.997
  799   HD12  LEU  58          HD12      LEU  58 -11.629  -0.814   2.206
  800   HD13  LEU  58          HD13      LEU  58 -11.879  -0.811   3.950
  801   HD21  LEU  58          HD21      LEU  58 -14.986  -0.065   1.206
  802   HD22  LEU  58          HD22      LEU  58 -13.317  -0.334   0.710
  803   HD23  LEU  58          HD23      LEU  58 -14.338  -1.702   1.156
  804    H    MET  59           H        MET  59 -15.496   0.895   4.959
  805    HA   MET  59           HA       MET  59 -14.001   3.023   5.370
  806    HB2  MET  59           HB2      MET  59 -16.564   2.769   5.303
  807    HB3  MET  59           HB3      MET  59 -16.471   2.671   7.056
  808    HG2  MET  59           HG2      MET  59 -16.895   4.890   6.737
  809    HG3  MET  59           HG3      MET  59 -15.133   4.881   6.834
  810    HE1  MET  59           HE1      MET  59 -13.936   6.508   5.190
  811    HE2  MET  59           HE2      MET  59 -15.038   7.492   4.222
  812    HE3  MET  59           HE3      MET  59 -15.367   7.223   5.941
  813    H    SER  60           H        SER  60 -15.244   1.123   8.099
  814    HA   SER  60           HA       SER  60 -14.179   2.696  10.162
  815    HB2  SER  60           HB2      SER  60 -16.020   1.024  10.373
  816    HB3  SER  60           HB3      SER  60 -14.806  -0.247  10.178
  817    HG   SER  60           HG       SER  60 -14.278  -0.028  12.199
  818    H    ASN  61           H        ASN  61 -12.976  -0.269   8.646
  819    HA   ASN  61           HA       ASN  61 -10.783  -0.620  10.413
  820    HB2  ASN  61           HB2      ASN  61 -11.499  -1.753   7.730
  821    HB3  ASN  61           HB3      ASN  61  -9.965  -2.132   8.503
  822   HD21  ASN  61          HD21      ASN  61 -12.057  -3.948   7.829
  823   HD22  ASN  61          HD22      ASN  61 -12.574  -4.681   9.313
  824    H    LEU  62           H        LEU  62 -11.247   1.035   7.395
  825    HA   LEU  62           HA       LEU  62  -8.517   1.759   6.937
  826    HB2  LEU  62           HB2      LEU  62 -11.154   2.813   6.031
  827    HB3  LEU  62           HB3      LEU  62  -9.747   3.837   5.838
  828    HG   LEU  62           HG       LEU  62  -8.675   2.112   4.478
  829   HD11  LEU  62          HD11      LEU  62 -10.079   0.219   3.709
  830   HD12  LEU  62          HD12      LEU  62  -9.614   0.138   5.408
  831   HD13  LEU  62          HD13      LEU  62 -11.243   0.641   4.961
  832   HD21  LEU  62          HD21      LEU  62 -10.138   2.302   2.532
  833   HD22  LEU  62          HD22      LEU  62 -11.455   2.841   3.573
  834   HD23  LEU  62          HD23      LEU  62 -10.008   3.833   3.395
  835    H    ASP  63           H        ASP  63 -11.201   3.703   8.057
  836    HA   ASP  63           HA       ASP  63  -9.712   5.895   8.968
  837    HB2  ASP  63           HB2      ASP  63 -12.051   6.043   8.345
  838    HB3  ASP  63           HB3      ASP  63 -12.497   4.894   9.593
  839    H    SER  64           H        SER  64  -8.043   5.161  10.337
  840    HA   SER  64           HA       SER  64  -8.680   3.342  12.491
  841    HB2  SER  64           HB2      SER  64  -6.325   3.132  12.814
  842    HB3  SER  64           HB3      SER  64  -6.578   3.224  11.073
  843    HG   SER  64           HG       SER  64  -6.050   5.477  11.214
  844    H    ASN  65           H        ASN  65  -8.448   6.702  12.069
  845    HA   ASN  65           HA       ASN  65  -8.078   7.196  14.922
  846    HB2  ASN  65           HB2      ASN  65  -8.094   9.585  14.302
  847    HB3  ASN  65           HB3      ASN  65  -6.897   8.677  13.380
  848   HD21  ASN  65          HD21      ASN  65  -7.256   8.284  11.183
  849   HD22  ASN  65          HD22      ASN  65  -8.412   9.202  10.273
  850    H    ARG  66           H        ARG  66 -10.516   6.515  12.793
  851    HA   ARG  66           HA       ARG  66 -12.754   6.501  12.862
  852    HB2  ARG  66           HB2      ARG  66 -12.100   6.561  15.782
  853    HB3  ARG  66           HB3      ARG  66 -13.775   6.622  15.250
  854    HG2  ARG  66           HG2      ARG  66 -13.342   4.357  15.662
  855    HG3  ARG  66           HG3      ARG  66 -13.274   4.525  13.909
  856    HD2  ARG  66           HD2      ARG  66 -10.683   4.968  14.567
  857    HD3  ARG  66           HD3      ARG  66 -11.156   3.840  15.836
  858    HE   ARG  66           HE       ARG  66 -11.928   3.009  13.191
  859   HH11  ARG  66          HH12      ARG  66  -9.394   2.888  15.617
  860   HH12  ARG  66          HH11      ARG  66  -8.533   1.595  14.818
  861   HH21  ARG  66          HH22      ARG  66 -10.781   1.325  12.154
  862   HH22  ARG  66          HH21      ARG  66  -9.323   0.711  12.882
  863    H    ASP  67           H        ASP  67 -12.728   8.452  11.682
  864    HA   ASP  67           HA       ASP  67 -14.168  10.583  13.132
  865    HB2  ASP  67           HB2      ASP  67 -11.830  11.270  12.485
  866    HB3  ASP  67           HB3      ASP  67 -12.287  11.039  10.801
  867    H    ASN  68           H        ASN  68 -14.185   8.229  10.803
  868    HA   ASN  68           HA       ASN  68 -15.824   7.483   9.417
  869    HB2  ASN  68           HB2      ASN  68 -17.242  10.075  10.058
  870    HB3  ASN  68           HB3      ASN  68 -17.904   8.819   9.017
  871   HD21  ASN  68          HD21      ASN  68 -18.949   9.869  11.502
  872   HD22  ASN  68          HD22      ASN  68 -19.064   8.527  12.588
  873    H    GLU  69           H        GLU  69 -13.724   9.812   8.872
  874    HA   GLU  69           HA       GLU  69 -14.258   9.710   5.989
  875    HB2  GLU  69           HB2      GLU  69 -13.225  12.126   7.497
  876    HB3  GLU  69           HB3      GLU  69 -13.316  11.988   5.747
  877    HG2  GLU  69           HG2      GLU  69 -15.753  11.785   5.905
  878    HG3  GLU  69           HG3      GLU  69 -15.642  11.976   7.655
  879    H    VAL  70           H        VAL  70 -12.612   8.691   5.027
  880    HA   VAL  70           HA       VAL  70 -10.389   7.855   6.591
  881    HB   VAL  70           HB       VAL  70 -10.918   7.512   3.642
  882   HG11  VAL  70          HG11      VAL  70  -8.539   7.332   4.081
  883   HG12  VAL  70          HG12      VAL  70  -8.855   6.176   5.377
  884   HG13  VAL  70          HG13      VAL  70  -9.226   5.750   3.706
  885   HG21  VAL  70          HG21      VAL  70 -11.272   5.630   5.966
  886   HG22  VAL  70          HG22      VAL  70 -12.564   6.437   5.082
  887   HG23  VAL  70          HG23      VAL  70 -11.558   5.239   4.271
  888    H    ASP  71           H        ASP  71  -8.870   9.195   7.132
  889    HA   ASP  71           HA       ASP  71  -7.903  11.374   5.625
  890    HB2  ASP  71           HB2      ASP  71  -7.551  11.205   8.042
  891    HB3  ASP  71           HB3      ASP  71  -6.584   9.749   7.820
  892    H    PHE  72           H        PHE  72  -5.727  11.527   4.695
  893    HA   PHE  72           HA       PHE  72  -5.303   9.917   2.552
  894    HB2  PHE  72           HB2      PHE  72  -4.175  12.050   2.821
  895    HB3  PHE  72           HB3      PHE  72  -3.212  11.403   4.155
  896    HD1  PHE  72           HD1      PHE  72  -4.084  10.553   0.669
  897    HD2  PHE  72           HD2      PHE  72  -1.064  10.702   3.652
  898    HE1  PHE  72           HE1      PHE  72  -2.481   9.686  -0.945
  899    HE2  PHE  72           HE2      PHE  72   0.565   9.879   2.045
  900    HZ   PHE  72           HZ       PHE  72  -0.127   9.333  -0.256
  901    H    GLN  73           H        GLN  73  -3.825   9.525   5.728
  902    HA   GLN  73           HA       GLN  73  -2.016   7.493   4.895
  903    HB2  GLN  73           HB2      GLN  73  -2.873   8.119   7.720
  904    HB3  GLN  73           HB3      GLN  73  -1.389   7.331   7.205
  905    HG2  GLN  73           HG2      GLN  73  -0.733   9.445   6.069
  906    HG3  GLN  73           HG3      GLN  73  -2.159  10.208   6.773
  907   HE21  GLN  73          HE21      GLN  73  -0.197   7.797   8.358
  908   HE22  GLN  73          HE22      GLN  73   0.432   8.827   9.595
  909    H    GLU  74           H        GLU  74  -5.280   7.536   6.041
  910    HA   GLU  74           HA       GLU  74  -5.283   4.834   7.029
  911    HB2  GLU  74           HB2      GLU  74  -7.779   6.288   6.240
  912    HB3  GLU  74           HB3      GLU  74  -7.510   5.203   7.593
  913    HG2  GLU  74           HG2      GLU  74  -6.436   8.003   7.383
  914    HG3  GLU  74           HG3      GLU  74  -7.879   7.536   8.272
  915    H    TYR  75           H        TYR  75  -5.416   6.355   4.029
  916    HA   TYR  75           HA       TYR  75  -7.009   4.309   2.721
  917    HB2  TYR  75           HB2      TYR  75  -7.246   6.638   2.029
  918    HB3  TYR  75           HB3      TYR  75  -5.539   6.709   1.612
  919    HD1  TYR  75           HD2      TYR  75  -4.695   5.311  -0.278
  920    HD2  TYR  75           HD1      TYR  75  -8.849   5.831   0.494
  921    HE1  TYR  75           HE2      TYR  75  -5.195   4.561  -2.562
  922    HE2  TYR  75           HE1      TYR  75  -9.361   5.075  -1.802
  923    HH   TYR  75           HH       TYR  75  -7.052   3.573  -3.799
  924    H    CYS  76           H        CYS  76  -3.618   5.229   3.002
  925    HA   CYS  76           HA       CYS  76  -2.652   3.521   0.961
  926    HB2  CYS  76           HB2      CYS  76  -1.230   4.570   3.402
  927    HB3  CYS  76           HB3      CYS  76  -0.456   3.859   1.991
  928    HG   CYS  76           HG       CYS  76  -1.094   5.858   0.249
  929    H    VAL  77           H        VAL  77  -3.257   3.044   4.362
  930    HA   VAL  77           HA       VAL  77  -2.185   0.391   4.383
  931    HB   VAL  77           HB       VAL  77  -3.173   0.219   6.610
  932   HG11  VAL  77          HG11      VAL  77  -1.737   2.787   5.972
  933   HG12  VAL  77          HG12      VAL  77  -1.944   2.146   7.602
  934   HG13  VAL  77          HG13      VAL  77  -1.021   1.233   6.409
  935   HG21  VAL  77          HG21      VAL  77  -5.251   1.470   6.185
  936   HG22  VAL  77          HG22      VAL  77  -4.390   2.091   7.593
  937   HG23  VAL  77          HG23      VAL  77  -4.316   2.961   6.061
  938    H    PHE  78           H        PHE  78  -5.292   1.851   3.773
  939    HA   PHE  78           HA       PHE  78  -6.960  -0.336   3.697
  940    HB2  PHE  78           HB2      PHE  78  -7.961   1.722   3.222
  941    HB3  PHE  78           HB3      PHE  78  -6.714   2.178   2.076
  942    HD1  PHE  78           HD2      PHE  78  -9.349  -0.471   2.395
  943    HD2  PHE  78           HD1      PHE  78  -7.322   2.329  -0.079
  944    HE1  PHE  78           HE2      PHE  78 -10.843  -1.050   0.529
  945    HE2  PHE  78           HE1      PHE  78  -8.803   1.764  -1.949
  946    HZ   PHE  78           HZ       PHE  78 -10.573   0.073  -1.651
  947    H    LEU  79           H        LEU  79  -4.960   0.916   1.038
  948    HA   LEU  79           HA       LEU  79  -5.527  -1.257  -0.664
  949    HB2  LEU  79           HB2      LEU  79  -3.560   0.978  -0.719
  950    HB3  LEU  79           HB3      LEU  79  -3.442  -0.323  -1.902
  951    HG   LEU  79           HG       LEU  79  -5.751   1.565  -1.457
  952   HD11  LEU  79          HD11      LEU  79  -3.960   2.452  -2.817
  953   HD12  LEU  79          HD12      LEU  79  -3.981   1.008  -3.830
  954   HD13  LEU  79          HD13      LEU  79  -5.366   2.100  -3.820
  955   HD21  LEU  79          HD21      LEU  79  -6.936   0.275  -3.164
  956   HD22  LEU  79          HD22      LEU  79  -5.612  -0.893  -3.193
  957   HD23  LEU  79          HD23      LEU  79  -6.588  -0.706  -1.736
  958    H    SER  80           H        SER  80  -2.586  -0.515   1.192
  959    HA   SER  80           HA       SER  80  -1.110  -2.637   0.119
  960    HB2  SER  80           HB2      SER  80  -0.807  -1.360   2.835
  961    HB3  SER  80           HB3      SER  80   0.433  -2.244   1.939
  962    HG   SER  80           HG       SER  80  -0.734   0.259   1.352
  963    H    CYS  81           H        CYS  81  -3.423  -2.513   2.719
  964    HA   CYS  81           HA       CYS  81  -2.848  -5.171   3.616
  965    HB2  CYS  81           HB2      CYS  81  -5.023  -3.195   4.229
  966    HB3  CYS  81           HB3      CYS  81  -5.020  -4.831   4.900
  967    HG   CYS  81           HG       CYS  81  -2.620  -2.437   5.371
  968    H    ILE  82           H        ILE  82  -4.635  -3.816   1.035
  969    HA   ILE  82           HA       ILE  82  -6.374  -6.122   0.773
  970    HB   ILE  82           HB       ILE  82  -5.900  -4.093  -1.413
  971   HG12  ILE  82          HG12      ILE  82  -7.940  -3.987   0.814
  972   HG13  ILE  82          HG13      ILE  82  -6.583  -2.883   0.609
  973   HG21  ILE  82          HG21      ILE  82  -8.323  -5.767  -0.749
  974   HG22  ILE  82          HG22      ILE  82  -8.058  -4.795  -2.197
  975   HG23  ILE  82          HG23      ILE  82  -7.085  -6.242  -1.921
  976   HD11  ILE  82          HD11      ILE  82  -8.653  -1.889  -0.160
  977   HD12  ILE  82          HD12      ILE  82  -7.525  -2.113  -1.498
  978   HD13  ILE  82          HD13      ILE  82  -8.882  -3.220  -1.295
  979    H    ALA  83           H        ALA  83  -3.148  -5.143  -0.347
  980    HA   ALA  83           HA       ALA  83  -2.759  -7.195  -2.203
  981    HB1  ALA  83           HB1      ALA  83  -0.866  -6.281  -0.052
  982    HB2  ALA  83           HB2      ALA  83  -0.431  -7.211  -1.487
  983    HB3  ALA  83           HB3      ALA  83  -1.038  -5.565  -1.653
  984    H    MET  84           H        MET  84  -2.152  -7.270   1.280
  985    HA   MET  84           HA       MET  84  -1.704  -9.992   1.578
  986    HB2  MET  84           HB2      MET  84  -2.982  -8.037   3.492
  987    HB3  MET  84           HB3      MET  84  -2.509  -9.671   3.938
  988    HG2  MET  84           HG2      MET  84  -0.191  -9.152   3.382
  989    HG3  MET  84           HG3      MET  84  -0.668  -7.513   2.941
  990    HE1  MET  84           HE1      MET  84  -1.405  -5.654   4.676
  991    HE2  MET  84           HE2      MET  84  -2.773  -6.715   5.021
  992    HE3  MET  84           HE3      MET  84  -1.828  -6.029   6.348
  993    H    MET  85           H        MET  85  -4.714  -8.186   1.561
  994    HA   MET  85           HA       MET  85  -6.388 -10.407   2.092
  995    HB2  MET  85           HB2      MET  85  -7.087  -8.079   2.525
  996    HB3  MET  85           HB3      MET  85  -7.022  -7.757   0.791
  997    HG2  MET  85           HG2      MET  85  -8.675 -10.056   1.414
  998    HG3  MET  85           HG3      MET  85  -9.226  -8.577   2.199
  999    HE1  MET  85           HE1      MET  85 -10.443  -6.326  -0.503
 1000    HE2  MET  85           HE2      MET  85 -10.853  -7.029   1.069
 1001    HE3  MET  85           HE3      MET  85  -9.274  -6.262   0.823
 1002    H    CYS  86           H        CYS  86  -5.276  -8.847  -0.902
 1003    HA   CYS  86           HA       CYS  86  -6.850 -10.297  -2.716
 1004    HB2  CYS  86           HB2      CYS  86  -5.589  -8.267  -3.321
 1005    HB3  CYS  86           HB3      CYS  86  -4.079  -9.150  -3.127
 1006    HG   CYS  86           HG       CYS  86  -5.123 -11.056  -5.190
 1007    H    ASN  87           H        ASN  87  -4.192 -11.285  -0.807
 1008    HA   ASN  87           HA       ASN  87  -3.153 -13.388  -2.342
 1009    HB2  ASN  87           HB2      ASN  87  -2.129 -12.554  -0.256
 1010    HB3  ASN  87           HB3      ASN  87  -3.468 -13.221   0.667
 1011   HD21  ASN  87          HD21      ASN  87  -2.139 -14.514   1.883
 1012   HD22  ASN  87          HD22      ASN  87  -1.353 -15.923   1.241
 1013    H    GLU  88           H        GLU  88  -6.137 -13.059  -0.589
 1014    HA   GLU  88           HA       GLU  88  -6.882 -15.807  -0.577
 1015    HB2  GLU  88           HB2      GLU  88  -7.981 -14.151   0.861
 1016    HB3  GLU  88           HB3      GLU  88  -8.590 -13.308  -0.555
 1017    HG2  GLU  88           HG2      GLU  88  -9.984 -15.186  -1.127
 1018    HG3  GLU  88           HG3      GLU  88  -9.301 -16.134   0.193
 1019    H    PHE  89           H        PHE  89  -7.340 -13.134  -2.824
 1020    HA   PHE  89           HA       PHE  89  -8.847 -14.676  -4.716
 1021    HB2  PHE  89           HB2      PHE  89  -7.438 -12.018  -5.061
 1022    HB3  PHE  89           HB3      PHE  89  -8.614 -12.713  -6.173
 1023    HD1  PHE  89           HD2      PHE  89 -10.976 -13.070  -5.361
 1024    HD2  PHE  89           HD1      PHE  89  -8.125 -10.755  -3.214
 1025    HE1  PHE  89           HE2      PHE  89 -12.797 -12.001  -4.100
 1026    HE2  PHE  89           HE1      PHE  89  -9.941  -9.684  -1.949
 1027    HZ   PHE  89           HZ       PHE  89 -12.281 -10.306  -2.390
 1028    H    PHE  90           H        PHE  90  -5.517 -14.046  -4.063
 1029    HA   PHE  90           HA       PHE  90  -4.298 -14.869  -6.430
 1030    HB2  PHE  90           HB2      PHE  90  -3.108 -13.945  -4.449
 1031    HB3  PHE  90           HB3      PHE  90  -3.418 -15.444  -3.585
 1032    HD1  PHE  90           HD1      PHE  90  -1.490 -13.859  -6.269
 1033    HD2  PHE  90           HD2      PHE  90  -2.136 -17.424  -4.031
 1034    HE1  PHE  90           HE1      PHE  90   0.628 -14.776  -7.123
 1035    HE2  PHE  90           HE2      PHE  90  -0.021 -18.346  -4.885
 1036    HZ   PHE  90           HZ       PHE  90   1.365 -17.022  -6.429
 1037    H    GLU  91           H        GLU  91  -5.497 -16.758  -3.674
 1038    HA   GLU  91           HA       GLU  91  -5.134 -19.316  -4.817
 1039    HB2  GLU  91           HB2      GLU  91  -7.219 -18.337  -2.853
 1040    HB3  GLU  91           HB3      GLU  91  -6.924 -20.026  -3.236
 1041    HG2  GLU  91           HG2      GLU  91  -4.934 -18.143  -1.991
 1042    HG3  GLU  91           HG3      GLU  91  -5.891 -19.346  -1.128
 1043    H    GLY  92           H        GLY  92  -8.024 -17.240  -4.633
 1044    HA2  GLY  92           HA2      GLY  92  -9.417 -16.691  -6.433
 1045    HA3  GLY  92           HA3      GLY  92  -8.660 -17.959  -7.380
 1046    H    PHE  93           H        PHE  93 -10.171 -18.226  -4.185
 1047    HA   PHE  93           HA       PHE  93 -12.048 -20.116  -5.373
 1048    HB2  PHE  93           HB2      PHE  93 -12.355 -21.015  -3.086
 1049    HB3  PHE  93           HB3      PHE  93 -10.691 -21.134  -3.639
 1050    HD1  PHE  93           HD1      PHE  93  -8.947 -19.772  -2.637
 1051    HD2  PHE  93           HD2      PHE  93 -12.968 -19.565  -1.261
 1052    HE1  PHE  93           HE1      PHE  93  -8.186 -18.631  -0.595
 1053    HE2  PHE  93           HE2      PHE  93 -12.214 -18.419   0.781
 1054    HZ   PHE  93           HZ       PHE  93  -9.820 -17.951   1.117
 1055    HA   PRO  94           HA       PRO  94 -15.213 -17.143  -4.360
 1056    HB2  PRO  94           HB2      PRO  94 -17.202 -18.950  -5.352
 1057    HB3  PRO  94           HB3      PRO  94 -16.519 -17.545  -6.170
 1058    HG2  PRO  94           HG2      PRO  94 -16.140 -20.174  -6.950
 1059    HG3  PRO  94           HG3      PRO  94 -15.093 -18.818  -7.402
 1060    HD2  PRO  94           HD2      PRO  94 -14.709 -20.890  -5.280
 1061    HD3  PRO  94           HD3      PRO  94 -13.510 -20.131  -6.350
 1062    H    ASP  95           H        ASP  95 -14.670 -17.735  -2.118
 1063    HA   ASP  95           HA       ASP  95 -15.269 -18.267   0.004
 1064    HB2  ASP  95           HB2      ASP  95 -17.934 -18.972  -1.244
 1065    HB3  ASP  95           HB3      ASP  95 -17.622 -18.961   0.488
 1066    H    LYS  96           H        LYS  96 -14.311 -19.911   0.944
 1067    HA   LYS  96           HA       LYS  96 -14.397 -22.551  -0.277
 1068    HB2  LYS  96           HB2      LYS  96 -12.689 -23.140   1.422
 1069    HB3  LYS  96           HB3      LYS  96 -12.231 -21.735   0.470
 1070    HG2  LYS  96           HG2      LYS  96 -12.745 -20.252   2.257
 1071    HG3  LYS  96           HG3      LYS  96 -13.507 -21.543   3.186
 1072    HD2  LYS  96           HD2      LYS  96 -11.280 -21.024   4.048
 1073    HD3  LYS  96           HD3      LYS  96 -11.351 -22.667   3.408
 1074    HE2  LYS  96           HE2      LYS  96 -10.255 -21.954   1.371
 1075    HE3  LYS  96           HE3      LYS  96 -10.268 -20.279   1.918
 1076    HZ1  LYS  96           HZ1      LYS  96  -8.843 -22.500   3.285
 1077    HZ2  LYS  96           HZ2      LYS  96  -8.796 -20.857   3.714
 1078    HZ3  LYS  96           HZ3      LYS  96  -8.110 -21.373   2.247
 1079    H    GLN  97           H        GLN  97 -16.759 -21.502   0.891
 1080    HA   GLN  97           HA       GLN  97 -17.471 -23.607   2.728
 1081    HB2  GLN  97           HB2      GLN  97 -16.472 -21.922   4.231
 1082    HB3  GLN  97           HB3      GLN  97 -17.545 -20.697   3.577
 1083    HG2  GLN  97           HG2      GLN  97 -18.381 -21.381   5.694
 1084    HG3  GLN  97           HG3      GLN  97 -19.469 -21.993   4.450
 1085   HE21  GLN  97          HE21      GLN  97 -20.274 -23.570   5.820
 1086   HE22  GLN  97          HE22      GLN  97 -19.353 -24.976   6.256
 1087    HA   PRO  98           HA       PRO  98 -21.246 -22.857   0.394
 1088    HB2  PRO  98           HB2      PRO  98 -22.490 -24.464   2.540
 1089    HB3  PRO  98           HB3      PRO  98 -22.485 -24.734   0.793
 1090    HG2  PRO  98           HG2      PRO  98 -21.025 -26.256   2.444
 1091    HG3  PRO  98           HG3      PRO  98 -20.440 -25.807   0.831
 1092    HD2  PRO  98           HD2      PRO  98 -19.691 -24.683   3.502
 1093    HD3  PRO  98           HD3      PRO  98 -18.664 -25.023   2.094
 1094    H    ARG  99           H        ARG  99 -21.284 -20.642   0.995
 1095    HA   ARG  99           HA       ARG  99 -23.232 -20.049   3.098
 1096    HB2  ARG  99           HB2      ARG  99 -20.965 -19.656   4.010
 1097    HB3  ARG  99           HB3      ARG  99 -20.630 -18.561   2.677
 1098    HG2  ARG  99           HG2      ARG  99 -21.172 -17.316   4.671
 1099    HG3  ARG  99           HG3      ARG  99 -22.427 -17.084   3.453
 1100    HD2  ARG  99           HD2      ARG  99 -23.809 -18.771   4.572
 1101    HD3  ARG  99           HD3      ARG  99 -22.558 -18.973   5.799
 1102    HE   ARG  99           HE       ARG  99 -23.363 -16.251   5.605
 1103   HH11  ARG  99          HH12      ARG  99 -24.383 -19.374   6.827
 1104   HH12  ARG  99          HH11      ARG  99 -25.341 -18.702   8.114
 1105   HH21  ARG  99          HH22      ARG  99 -24.619 -15.359   7.295
 1106   HH22  ARG  99          HH21      ARG  99 -25.498 -16.416   8.361
 1107    H    LYS 100           H        LYS 100 -24.856 -19.007   2.217
 1108    HA   LYS 100           HA       LYS 100 -26.119 -17.693   0.874
 1109    HB2  LYS 100           HB2      LYS 100 -23.533 -16.147   0.635
 1110    HB3  LYS 100           HB3      LYS 100 -25.092 -15.567   0.061
 1111    HG2  LYS 100           HG2      LYS 100 -24.379 -16.223   2.912
 1112    HG3  LYS 100           HG3      LYS 100 -24.565 -14.608   2.225
 1113    HD2  LYS 100           HD2      LYS 100 -26.903 -14.990   1.822
 1114    HD3  LYS 100           HD3      LYS 100 -26.752 -16.682   2.304
 1115    HE2  LYS 100           HE2      LYS 100 -26.160 -15.974   4.573
 1116    HE3  LYS 100           HE3      LYS 100 -26.327 -14.287   4.087
 1117    HZ1  LYS 100           HZ1      LYS 100 -28.517 -16.294   3.978
 1118    HZ2  LYS 100           HZ2      LYS 100 -28.650 -14.631   3.670
 1119    HZ3  LYS 100           HZ3      LYS 100 -28.298 -15.177   5.239
 1120    H    LYS 101           H        LYS 101 -24.806 -19.983  -0.256
 1121    HA   LYS 101           HA       LYS 101 -24.925 -19.177  -3.069
 1122    HB2  LYS 101           HB2      LYS 101 -23.215 -20.917  -3.595
 1123    HB3  LYS 101           HB3      LYS 101 -22.593 -19.561  -2.671
 1124    HG2  LYS 101           HG2      LYS 101 -22.620 -20.883  -0.647
 1125    HG3  LYS 101           HG3      LYS 101 -23.350 -22.236  -1.516
 1126    HD2  LYS 101           HD2      LYS 101 -20.957 -22.588  -1.243
 1127    HD3  LYS 101           HD3      LYS 101 -21.363 -22.380  -2.946
 1128    HE2  LYS 101           HE2      LYS 101 -20.670 -20.007  -2.774
 1129    HE3  LYS 101           HE3      LYS 101 -20.172 -20.302  -1.109
 1130    HZ1  LYS 101           HZ1      LYS 101 -18.273 -20.436  -2.554
 1131    HZ2  LYS 101           HZ2      LYS 101 -19.040 -21.572  -3.545
 1132    HZ3  LYS 101           HZ3      LYS 101 -18.610 -21.990  -1.960
 1133    H    MET   1           H1       MET   1  -4.327   1.665 -21.096
 1134    HA   MET   1           HA       MET   1  -2.116   1.128 -19.210
 1135    HB2  MET   1           HB2      MET   1  -4.414   3.032 -19.269
 1136    HB3  MET   1           HB3      MET   1  -3.915   2.375 -17.718
 1137    HG2  MET   1           HG2      MET   1  -2.079   3.803 -19.624
 1138    HG3  MET   1           HG3      MET   1  -2.910   4.567 -18.270
 1139    HE1  MET   1           HE1      MET   1  -0.643   5.445 -17.244
 1140    HE2  MET   1           HE2      MET   1   0.771   4.426 -16.983
 1141    HE3  MET   1           HE3      MET   1   0.213   4.755 -18.623
 1142    H    ALA   2           H        ALA   2  -2.678  -0.017 -17.323
 1143    HA   ALA   2           HA       ALA   2  -4.832  -1.962 -17.698
 1144    HB1  ALA   2           HB1      ALA   2  -3.788  -3.174 -15.880
 1145    HB2  ALA   2           HB2      ALA   2  -2.544  -2.731 -17.056
 1146    HB3  ALA   2           HB3      ALA   2  -2.706  -1.820 -15.553
 1147    H    CYS   3           H        CYS   3  -6.108  -2.425 -15.581
 1148    HA   CYS   3           HA       CYS   3  -7.321  -0.066 -14.616
 1149    HB2  CYS   3           HB2      CYS   3  -7.361  -2.861 -13.451
 1150    HB3  CYS   3           HB3      CYS   3  -8.441  -1.548 -12.988
 1151    HG   CYS   3           HG       CYS   3  -9.171  -3.778 -15.039
 1152    HA   PRO   4           HA       PRO   4  -3.683   1.122 -12.430
 1153    HB2  PRO   4           HB2      PRO   4  -5.632   3.041 -11.253
 1154    HB3  PRO   4           HB3      PRO   4  -4.046   3.357 -11.969
 1155    HG2  PRO   4           HG2      PRO   4  -6.197   3.928 -13.358
 1156    HG3  PRO   4           HG3      PRO   4  -4.862   3.064 -14.158
 1157    HD2  PRO   4           HD2      PRO   4  -7.439   1.970 -13.071
 1158    HD3  PRO   4           HD3      PRO   4  -6.631   1.619 -14.617
 1159    H    LEU   5           H        LEU   5  -6.575   1.549 -10.370
 1160    HA   LEU   5           HA       LEU   5  -5.137   0.990  -8.004
 1161    HB2  LEU   5           HB2      LEU   5  -7.571   2.080  -8.605
 1162    HB3  LEU   5           HB3      LEU   5  -8.034   0.533  -7.925
 1163    HG   LEU   5           HG       LEU   5  -8.007   2.386  -6.278
 1164   HD11  LEU   5          HD11      LEU   5  -6.806   1.165  -4.554
 1165   HD12  LEU   5          HD12      LEU   5  -7.775   0.091  -5.562
 1166   HD13  LEU   5          HD13      LEU   5  -6.028   0.178  -5.793
 1167   HD21  LEU   5          HD21      LEU   5  -6.115   3.644  -7.161
 1168   HD22  LEU   5          HD22      LEU   5  -5.865   3.220  -5.466
 1169   HD23  LEU   5          HD23      LEU   5  -5.028   2.322  -6.732
 1170    H    GLU   6           H        GLU   6  -7.052  -1.028 -10.170
 1171    HA   GLU   6           HA       GLU   6  -7.191  -3.328  -8.582
 1172    HB2  GLU   6           HB2      GLU   6  -8.456  -3.090 -10.674
 1173    HB3  GLU   6           HB3      GLU   6  -6.955  -3.146 -11.591
 1174    HG2  GLU   6           HG2      GLU   6  -6.554  -5.422 -10.780
 1175    HG3  GLU   6           HG3      GLU   6  -8.078  -5.365  -9.894
 1176    H    LYS   7           H        LYS   7  -4.751  -2.300 -10.948
 1177    HA   LYS   7           HA       LYS   7  -3.037  -4.482 -10.710
 1178    HB2  LYS   7           HB2      LYS   7  -2.585  -1.607 -11.476
 1179    HB3  LYS   7           HB3      LYS   7  -1.238  -2.735 -11.373
 1180    HG2  LYS   7           HG2      LYS   7  -3.653  -3.325 -13.052
 1181    HG3  LYS   7           HG3      LYS   7  -2.325  -2.330 -13.651
 1182    HD2  LYS   7           HD2      LYS   7  -1.820  -4.492 -14.398
 1183    HD3  LYS   7           HD3      LYS   7  -0.801  -4.270 -12.979
 1184    HE2  LYS   7           HE2      LYS   7  -1.693  -6.432 -12.775
 1185    HE3  LYS   7           HE3      LYS   7  -2.632  -5.436 -11.667
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.126  -6.829 -12.851
 1187    HZ2  LYS   7           HZ2      LYS   7  -3.451  -6.413 -14.341
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.330  -5.259 -13.464
 1189    H    ALA   8           H        ALA   8  -3.269  -1.540  -8.778
 1190    HA   ALA   8           HA       ALA   8  -0.953  -1.585  -7.347
 1191    HB1  ALA   8           HB1      ALA   8  -2.125  -0.463  -5.543
 1192    HB2  ALA   8           HB2      ALA   8  -2.664   0.141  -7.110
 1193    HB3  ALA   8           HB3      ALA   8  -3.674  -0.984  -6.204
 1194    H    LEU   9           H        LEU   9  -3.899  -3.439  -6.454
 1195    HA   LEU   9           HA       LEU   9  -2.482  -4.703  -4.273
 1196    HB2  LEU   9           HB2      LEU   9  -5.180  -5.493  -5.380
 1197    HB3  LEU   9           HB3      LEU   9  -4.497  -5.956  -3.845
 1198    HG   LEU   9           HG       LEU   9  -6.015  -4.337  -3.234
 1199   HD11  LEU   9          HD11      LEU   9  -3.860  -3.840  -2.275
 1200   HD12  LEU   9          HD12      LEU   9  -3.446  -2.840  -3.668
 1201   HD13  LEU   9          HD13      LEU   9  -4.754  -2.352  -2.592
 1202   HD21  LEU   9          HD21      LEU   9  -6.635  -3.597  -5.470
 1203   HD22  LEU   9          HD22      LEU   9  -6.376  -2.227  -4.389
 1204   HD23  LEU   9          HD23      LEU   9  -5.146  -2.658  -5.577
 1205    H    ASP  10           H        ASP  10  -3.557  -5.551  -7.491
 1206    HA   ASP  10           HA       ASP  10  -3.044  -8.290  -7.480
 1207    HB2  ASP  10           HB2      ASP  10  -4.269  -7.270  -9.287
 1208    HB3  ASP  10           HB3      ASP  10  -2.895  -6.258  -9.713
 1209    H    VAL  11           H        VAL  11  -0.900  -5.581  -8.256
 1210    HA   VAL  11           HA       VAL  11   1.225  -7.286  -9.104
 1211    HB   VAL  11           HB       VAL  11   2.551  -5.318  -9.382
 1212   HG11  VAL  11          HG11      VAL  11   1.131  -4.032 -10.875
 1213   HG12  VAL  11          HG12      VAL  11   0.805  -5.757 -11.040
 1214   HG13  VAL  11          HG13      VAL  11  -0.307  -4.732 -10.134
 1215   HG21  VAL  11          HG21      VAL  11   2.049  -4.183  -7.289
 1216   HG22  VAL  11          HG22      VAL  11   1.794  -3.101  -8.659
 1217   HG23  VAL  11          HG23      VAL  11   0.412  -3.841  -7.850
 1218    H    MET  12           H        MET  12   0.332  -5.853  -6.029
 1219    HA   MET  12           HA       MET  12   2.799  -5.985  -4.716
 1220    HB2  MET  12           HB2      MET  12   0.041  -6.514  -3.615
 1221    HB3  MET  12           HB3      MET  12   1.487  -6.379  -2.628
 1222    HG2  MET  12           HG2      MET  12   1.753  -4.052  -3.733
 1223    HG3  MET  12           HG3      MET  12   0.059  -4.257  -4.179
 1224    HE1  MET  12           HE1      MET  12  -0.670  -2.178  -2.966
 1225    HE2  MET  12           HE2      MET  12  -0.474  -1.857  -1.240
 1226    HE3  MET  12           HE3      MET  12   0.926  -1.761  -2.322
 1227    H    VAL  13           H        VAL  13   0.240  -8.486  -4.835
 1228    HA   VAL  13           HA       VAL  13   1.935 -10.452  -3.639
 1229    HB   VAL  13           HB       VAL  13   0.140 -12.072  -4.193
 1230   HG11  VAL  13          HG11      VAL  13  -0.755  -9.516  -2.873
 1231   HG12  VAL  13          HG12      VAL  13  -1.547 -11.083  -2.712
 1232   HG13  VAL  13          HG13      VAL  13   0.092 -10.857  -2.104
 1233   HG21  VAL  13          HG21      VAL  13  -1.238  -9.673  -5.396
 1234   HG22  VAL  13          HG22      VAL  13  -0.674 -11.100  -6.268
 1235   HG23  VAL  13          HG23      VAL  13  -1.984 -11.246  -5.095
 1236    H    SER  14           H        SER  14   1.464  -9.376  -6.881
 1237    HA   SER  14           HA       SER  14   2.361 -11.816  -8.123
 1238    HB2  SER  14           HB2      SER  14   1.952  -9.035  -9.239
 1239    HB3  SER  14           HB3      SER  14   2.394 -10.441 -10.209
 1240    HG   SER  14           HG       SER  14  -0.021  -9.834  -8.918
 1241    H    THR  15           H        THR  15   3.772  -8.541  -7.808
 1242    HA   THR  15           HA       THR  15   6.335  -9.254  -8.728
 1243    HB   THR  15           HB       THR  15   5.620  -7.016  -6.810
 1244    HG1  THR  15           HG1      THR  15   5.808  -5.995  -9.170
 1245   HG21  THR  15          HG21      THR  15   8.042  -7.379  -7.018
 1246   HG22  THR  15          HG22      THR  15   7.561  -5.865  -7.789
 1247   HG23  THR  15          HG23      THR  15   7.908  -7.285  -8.776
 1248    H    PHE  16           H        PHE  16   4.727  -9.672  -5.700
 1249    HA   PHE  16           HA       PHE  16   6.733 -10.125  -3.878
 1250    HB2  PHE  16           HB2      PHE  16   3.980 -10.845  -4.181
 1251    HB3  PHE  16           HB3      PHE  16   4.865 -12.249  -3.601
 1252    HD1  PHE  16           HD1      PHE  16   6.510 -11.752  -1.611
 1253    HD2  PHE  16           HD2      PHE  16   3.161  -9.364  -2.660
 1254    HE1  PHE  16           HE1      PHE  16   6.436 -10.856   0.676
 1255    HE2  PHE  16           HE2      PHE  16   3.083  -8.465  -0.380
 1256    HZ   PHE  16           HZ       PHE  16   4.722  -9.211   1.293
 1257    H    HIS  17           H        HIS  17   5.174 -12.810  -5.637
 1258    HA   HIS  17           HA       HIS  17   7.249 -14.627  -5.014
 1259    HB2  HIS  17           HB2      HIS  17   6.121 -16.197  -6.544
 1260    HB3  HIS  17           HB3      HIS  17   4.999 -15.443  -5.424
 1261    HD1  HIS  17           HD1      HIS  17   5.898 -15.591  -9.068
 1262    HD2  HIS  17           HD2      HIS  17   3.012 -13.898  -6.593
 1263    HE1  HIS  17           HE1      HIS  17   4.100 -14.731 -10.604
 1264    HE2  HIS  17           HE2      HIS  17   2.296 -13.840  -9.077
 1265    H    LYS  18           H        LYS  18   7.026 -12.243  -7.371
 1266    HA   LYS  18           HA       LYS  18   8.621 -13.338  -9.424
 1267    HB2  LYS  18           HB2      LYS  18   7.227 -11.332  -9.683
 1268    HB3  LYS  18           HB3      LYS  18   8.253 -10.465  -8.553
 1269    HG2  LYS  18           HG2      LYS  18  10.140 -10.734 -10.144
 1270    HG3  LYS  18           HG3      LYS  18   9.014 -11.470 -11.287
 1271    HD2  LYS  18           HD2      LYS  18   7.693  -9.446 -11.329
 1272    HD3  LYS  18           HD3      LYS  18   8.723  -8.715 -10.098
 1273    HE2  LYS  18           HE2      LYS  18   9.442  -7.813 -12.141
 1274    HE3  LYS  18           HE3      LYS  18  10.641  -9.026 -11.715
 1275    HZ1  LYS  18           HZ1      LYS  18  10.022  -9.130 -14.055
 1276    HZ2  LYS  18           HZ2      LYS  18   8.412  -9.423 -13.633
 1277    HZ3  LYS  18           HZ3      LYS  18   9.602 -10.564 -13.250
 1278    H    TYR  19           H        TYR  19   9.369 -11.855  -6.333
 1279    HA   TYR  19           HA       TYR  19  12.239 -12.216  -6.920
 1280    HB2  TYR  19           HB2      TYR  19  10.940 -10.131  -5.162
 1281    HB3  TYR  19           HB3      TYR  19  12.677 -10.394  -5.285
 1282    HD1  TYR  19           HD1      TYR  19  13.852  -9.921  -7.420
 1283    HD2  TYR  19           HD2      TYR  19   9.750  -8.951  -6.844
 1284    HE1  TYR  19           HE1      TYR  19  13.932  -8.415  -9.374
 1285    HE2  TYR  19           HE2      TYR  19   9.822  -7.453  -8.787
 1286    HH   TYR  19           HH       TYR  19  11.316  -6.277 -10.150
 1287    H    SER  20           H        SER  20   9.904 -12.161  -4.198
 1288    HA   SER  20           HA       SER  20  11.737 -13.382  -2.411
 1289    HB2  SER  20           HB2      SER  20   9.742 -13.741  -0.963
 1290    HB3  SER  20           HB3      SER  20   9.905 -12.081  -1.533
 1291    HG   SER  20           HG       SER  20   8.281 -12.433  -3.000
 1292    H    GLY  21           H        GLY  21   9.374 -14.631  -4.672
 1293    HA2  GLY  21           HA2      GLY  21   9.473 -17.344  -3.857
 1294    HA3  GLY  21           HA3      GLY  21   9.002 -16.763  -5.450
 1295    H    LYS  22           H        LYS  22  11.665 -15.329  -5.545
 1296    HA   LYS  22           HA       LYS  22  13.215 -17.410  -6.769
 1297    HB2  LYS  22           HB2      LYS  22  13.276 -15.195  -7.717
 1298    HB3  LYS  22           HB3      LYS  22  13.740 -14.492  -6.178
 1299    HG2  LYS  22           HG2      LYS  22  15.800 -16.160  -6.537
 1300    HG3  LYS  22           HG3      LYS  22  15.376 -15.838  -8.222
 1301    HD2  LYS  22           HD2      LYS  22  15.892 -13.737  -6.117
 1302    HD3  LYS  22           HD3      LYS  22  17.046 -14.242  -7.355
 1303    HE2  LYS  22           HE2      LYS  22  15.696 -13.342  -9.084
 1304    HE3  LYS  22           HE3      LYS  22  14.323 -13.130  -7.994
 1305    HZ1  LYS  22           HZ1      LYS  22  15.524 -11.039  -8.455
 1306    HZ2  LYS  22           HZ2      LYS  22  16.911 -11.698  -7.738
 1307    HZ3  LYS  22           HZ3      LYS  22  15.519 -11.445  -6.803
 1308    H    GLU  23           H        GLU  23  13.210 -15.606  -3.773
 1309    HA   GLU  23           HA       GLU  23  15.657 -16.670  -2.740
 1310    HB2  GLU  23           HB2      GLU  23  14.666 -14.518  -1.984
 1311    HB3  GLU  23           HB3      GLU  23  13.318 -15.406  -1.290
 1312    HG2  GLU  23           HG2      GLU  23  15.167 -16.655   0.035
 1313    HG3  GLU  23           HG3      GLU  23  16.151 -15.251  -0.377
 1314    H    GLY  24           H        GLY  24  12.215 -17.273  -2.146
 1315    HA2  GLY  24           HA2      GLY  24  12.228 -20.002  -1.970
 1316    HA3  GLY  24           HA3      GLY  24  12.690 -19.465  -0.358
 1317    H    ASP  25           H        ASP  25  11.235 -17.911   0.711
 1318    HA   ASP  25           HA       ASP  25   8.486 -18.685   0.464
 1319    HB2  ASP  25           HB2      ASP  25   9.596 -16.322   1.999
 1320    HB3  ASP  25           HB3      ASP  25   8.035 -17.098   2.239
 1321    H    LYS  26           H        LYS  26   7.294 -17.993  -1.212
 1322    HA   LYS  26           HA       LYS  26   7.983 -15.689  -2.727
 1323    HB2  LYS  26           HB2      LYS  26   6.164 -16.206  -4.156
 1324    HB3  LYS  26           HB3      LYS  26   6.876 -17.727  -3.663
 1325    HG2  LYS  26           HG2      LYS  26   4.546 -16.667  -2.142
 1326    HG3  LYS  26           HG3      LYS  26   4.276 -17.385  -3.726
 1327    HD2  LYS  26           HD2      LYS  26   5.674 -18.755  -1.433
 1328    HD3  LYS  26           HD3      LYS  26   3.981 -18.976  -1.852
 1329    HE2  LYS  26           HE2      LYS  26   4.683 -19.776  -4.087
 1330    HE3  LYS  26           HE3      LYS  26   6.365 -19.650  -3.575
 1331    HZ1  LYS  26           HZ1      LYS  26   4.289 -21.437  -2.441
 1332    HZ2  LYS  26           HZ2      LYS  26   5.827 -21.222  -1.762
 1333    HZ3  LYS  26           HZ3      LYS  26   5.673 -21.892  -3.312
 1334    H    PHE  27           H        PHE  27   6.855 -15.593   0.204
 1335    HA   PHE  27           HA       PHE  27   5.303 -13.151  -0.286
 1336    HB2  PHE  27           HB2      PHE  27   4.040 -13.769   1.871
 1337    HB3  PHE  27           HB3      PHE  27   3.606 -14.621   0.395
 1338    HD1  PHE  27           HD1      PHE  27   5.968 -14.976   3.269
 1339    HD2  PHE  27           HD2      PHE  27   3.343 -16.884   0.517
 1340    HE1  PHE  27           HE1      PHE  27   6.362 -17.128   4.391
 1341    HE2  PHE  27           HE2      PHE  27   3.732 -19.039   1.634
 1342    HZ   PHE  27           HZ       PHE  27   5.244 -19.164   3.573
 1343    H    LYS  28           H        LYS  28   8.159 -14.061   0.607
 1344    HA   LYS  28           HA       LYS  28   8.387 -12.048   2.721
 1345    HB2  LYS  28           HB2      LYS  28   8.148 -14.274   3.812
 1346    HB3  LYS  28           HB3      LYS  28   9.575 -14.811   2.940
 1347    HG2  LYS  28           HG2      LYS  28  10.685 -12.742   4.075
 1348    HG3  LYS  28           HG3      LYS  28   9.353 -12.923   5.221
 1349    HD2  LYS  28           HD2      LYS  28  10.917 -14.272   6.198
 1350    HD3  LYS  28           HD3      LYS  28  10.092 -15.444   5.169
 1351    HE2  LYS  28           HE2      LYS  28  12.600 -13.963   4.397
 1352    HE3  LYS  28           HE3      LYS  28  12.575 -15.588   5.072
 1353    HZ1  LYS  28           HZ1      LYS  28  11.382 -16.374   3.166
 1354    HZ2  LYS  28           HZ2      LYS  28  12.760 -15.533   2.630
 1355    HZ3  LYS  28           HZ3      LYS  28  11.236 -14.802   2.539
 1356    H    LEU  29           H        LEU  29   9.984 -10.691   2.172
 1357    HA   LEU  29           HA       LEU  29  12.013 -11.663   0.259
 1358    HB2  LEU  29           HB2      LEU  29  10.902  -8.887   0.614
 1359    HB3  LEU  29           HB3      LEU  29  12.195  -9.307  -0.490
 1360    HG   LEU  29           HG       LEU  29  10.409 -10.937  -1.496
 1361   HD11  LEU  29          HD11      LEU  29   8.142 -10.044  -1.351
 1362   HD12  LEU  29          HD12      LEU  29   8.728 -10.582   0.223
 1363   HD13  LEU  29          HD13      LEU  29   8.686  -8.863  -0.161
 1364   HD21  LEU  29          HD21      LEU  29  11.439  -9.076  -2.677
 1365   HD22  LEU  29          HD22      LEU  29   9.713  -9.171  -3.031
 1366   HD23  LEU  29          HD23      LEU  29  10.315  -7.954  -1.906
 1367    H    ASN  30           H        ASN  30  14.090 -11.590   0.871
 1368    HA   ASN  30           HA       ASN  30  14.877 -10.128   3.247
 1369    HB2  ASN  30           HB2      ASN  30  16.988 -11.164   3.035
 1370    HB3  ASN  30           HB3      ASN  30  15.850 -12.386   2.481
 1371   HD21  ASN  30          HD21      ASN  30  15.684 -12.800   0.246
 1372   HD22  ASN  30          HD22      ASN  30  16.981 -12.374  -0.826
 1373    H    LYS  31           H        LYS  31  17.314  -9.089   2.662
 1374    HA   LYS  31           HA       LYS  31  16.739  -6.539   1.761
 1375    HB2  LYS  31           HB2      LYS  31  19.496  -7.599   1.336
 1376    HB3  LYS  31           HB3      LYS  31  18.986  -6.057   1.996
 1377    HG2  LYS  31           HG2      LYS  31  18.365  -7.144   4.085
 1378    HG3  LYS  31           HG3      LYS  31  18.846  -8.708   3.416
 1379    HD2  LYS  31           HD2      LYS  31  21.122  -7.571   2.984
 1380    HD3  LYS  31           HD3      LYS  31  20.562  -6.354   4.132
 1381    HE2  LYS  31           HE2      LYS  31  20.853  -9.309   4.651
 1382    HE3  LYS  31           HE3      LYS  31  21.911  -8.034   5.250
 1383    HZ1  LYS  31           HZ1      LYS  31  19.080  -8.504   5.972
 1384    HZ2  LYS  31           HZ2      LYS  31  19.933  -7.110   6.414
 1385    HZ3  LYS  31           HZ3      LYS  31  20.432  -8.626   6.982
 1386    H    SER  32           H        SER  32  18.466  -9.101  -0.009
 1387    HA   SER  32           HA       SER  32  19.036  -7.559  -2.272
 1388    HB2  SER  32           HB2      SER  32  18.819 -10.565  -2.059
 1389    HB3  SER  32           HB3      SER  32  19.694  -9.668  -3.298
 1390    HG   SER  32           HG       SER  32  20.736 -10.529  -1.149
 1391    H    GLU  33           H        GLU  33  16.246  -9.592  -1.527
 1392    HA   GLU  33           HA       GLU  33  15.275  -9.586  -4.217
 1393    HB2  GLU  33           HB2      GLU  33  13.894 -10.260  -1.618
 1394    HB3  GLU  33           HB3      GLU  33  13.144 -10.428  -3.201
 1395    HG2  GLU  33           HG2      GLU  33  15.392 -11.984  -2.004
 1396    HG3  GLU  33           HG3      GLU  33  13.897 -12.562  -2.736
 1397    H    LEU  34           H        LEU  34  14.583  -7.719  -1.292
 1398    HA   LEU  34           HA       LEU  34  12.569  -6.109  -2.421
 1399    HB2  LEU  34           HB2      LEU  34  14.393  -5.909  -0.086
 1400    HB3  LEU  34           HB3      LEU  34  13.578  -4.446  -0.616
 1401    HG   LEU  34           HG       LEU  34  12.106  -6.993  -0.006
 1402   HD11  LEU  34          HD11      LEU  34  11.539  -5.943   2.154
 1403   HD12  LEU  34          HD12      LEU  34  13.253  -6.329   2.008
 1404   HD13  LEU  34          HD13      LEU  34  12.705  -4.665   1.809
 1405   HD21  LEU  34          HD21      LEU  34  10.913  -5.443  -1.418
 1406   HD22  LEU  34          HD22      LEU  34  10.200  -5.435   0.197
 1407   HD23  LEU  34          HD23      LEU  34  11.259  -4.114  -0.310
 1408    H    LYS  35           H        LYS  35  16.084  -5.688  -2.218
 1409    HA   LYS  35           HA       LYS  35  16.243  -3.155  -3.333
 1410    HB2  LYS  35           HB2      LYS  35  18.193  -4.320  -2.370
 1411    HB3  LYS  35           HB3      LYS  35  18.213  -5.413  -3.751
 1412    HG2  LYS  35           HG2      LYS  35  18.887  -3.760  -5.228
 1413    HG3  LYS  35           HG3      LYS  35  18.359  -2.455  -4.154
 1414    HD2  LYS  35           HD2      LYS  35  20.708  -2.439  -4.011
 1415    HD3  LYS  35           HD3      LYS  35  20.161  -3.245  -2.541
 1416    HE2  LYS  35           HE2      LYS  35  20.552  -5.423  -3.654
 1417    HE3  LYS  35           HE3      LYS  35  21.212  -4.549  -5.033
 1418    HZ1  LYS  35           HZ1      LYS  35  22.953  -5.340  -3.548
 1419    HZ2  LYS  35           HZ2      LYS  35  22.290  -4.446  -2.267
 1420    HZ3  LYS  35           HZ3      LYS  35  22.932  -3.643  -3.613
 1421    H    GLU  36           H        GLU  36  16.490  -6.281  -5.017
 1422    HA   GLU  36           HA       GLU  36  16.701  -5.179  -7.579
 1423    HB2  GLU  36           HB2      GLU  36  17.054  -7.619  -6.760
 1424    HB3  GLU  36           HB3      GLU  36  15.332  -7.783  -7.081
 1425    HG2  GLU  36           HG2      GLU  36  15.677  -7.126  -9.379
 1426    HG3  GLU  36           HG3      GLU  36  17.392  -6.912  -9.083
 1427    H    LEU  37           H        LEU  37  13.886  -6.221  -5.713
 1428    HA   LEU  37           HA       LEU  37  11.856  -5.819  -7.551
 1429    HB2  LEU  37           HB2      LEU  37  11.763  -6.697  -5.143
 1430    HB3  LEU  37           HB3      LEU  37  11.687  -5.011  -4.660
 1431    HG   LEU  37           HG       LEU  37   9.667  -5.901  -6.638
 1432   HD11  LEU  37          HD11      LEU  37   9.724  -7.792  -5.091
 1433   HD12  LEU  37          HD12      LEU  37   9.569  -6.686  -3.726
 1434   HD13  LEU  37          HD13      LEU  37   8.249  -6.847  -4.883
 1435   HD21  LEU  37          HD21      LEU  37   9.750  -3.605  -5.787
 1436   HD22  LEU  37          HD22      LEU  37   8.258  -4.418  -5.311
 1437   HD23  LEU  37          HD23      LEU  37   9.561  -4.211  -4.141
 1438    H    LEU  38           H        LEU  38  13.147  -3.466  -5.207
 1439    HA   LEU  38           HA       LEU  38  11.685  -1.277  -6.213
 1440    HB2  LEU  38           HB2      LEU  38  14.068  -1.551  -4.428
 1441    HB3  LEU  38           HB3      LEU  38  13.596   0.037  -5.005
 1442    HG   LEU  38           HG       LEU  38  11.256  -1.199  -3.981
 1443   HD11  LEU  38          HD11      LEU  38  12.646  -2.752  -2.756
 1444   HD12  LEU  38          HD12      LEU  38  13.611  -1.419  -2.117
 1445   HD13  LEU  38          HD13      LEU  38  11.918  -1.586  -1.650
 1446   HD21  LEU  38          HD21      LEU  38  11.361   0.667  -2.384
 1447   HD22  LEU  38          HD22      LEU  38  13.023   0.985  -2.870
 1448   HD23  LEU  38          HD23      LEU  38  11.709   1.198  -4.029
 1449    H    THR  39           H        THR  39  15.013  -2.385  -6.902
 1450    HA   THR  39           HA       THR  39  15.778  -0.184  -8.457
 1451    HB   THR  39           HB       THR  39  17.478  -1.646  -9.484
 1452    HG1  THR  39           HG1      THR  39  15.748  -3.605  -8.630
 1453   HG21  THR  39          HG21      THR  39  17.143  -2.139  -6.531
 1454   HG22  THR  39          HG22      THR  39  17.858  -0.692  -7.254
 1455   HG23  THR  39          HG23      THR  39  18.646  -2.259  -7.448
 1456    H    ARG  40           H        ARG  40  13.752  -2.886  -9.251
 1457    HA   ARG  40           HA       ARG  40  13.948  -2.392 -12.109
 1458    HB2  ARG  40           HB2      ARG  40  12.324  -4.397 -10.545
 1459    HB3  ARG  40           HB3      ARG  40  12.426  -4.333 -12.302
 1460    HG2  ARG  40           HG2      ARG  40  14.763  -4.797 -10.462
 1461    HG3  ARG  40           HG3      ARG  40  13.848  -6.072 -11.264
 1462    HD2  ARG  40           HD2      ARG  40  15.239  -3.844 -12.733
 1463    HD3  ARG  40           HD3      ARG  40  15.985  -5.404 -12.384
 1464    HE   ARG  40           HE       ARG  40  13.869  -6.267 -13.638
 1465   HH11  ARG  40          HH12      ARG  40  15.671  -3.366 -14.414
 1466   HH12  ARG  40          HH11      ARG  40  15.437  -3.532 -16.130
 1467   HH21  ARG  40          HH22      ARG  40  13.545  -6.479 -15.877
 1468   HH22  ARG  40          HH21      ARG  40  14.222  -5.299 -16.960
 1469    H    GLU  41           H        GLU  41  11.313  -2.562  -9.701
 1470    HA   GLU  41           HA       GLU  41   9.616  -1.194 -11.654
 1471    HB2  GLU  41           HB2      GLU  41   9.026  -3.035  -9.358
 1472    HB3  GLU  41           HB3      GLU  41   7.765  -2.038 -10.078
 1473    HG2  GLU  41           HG2      GLU  41   7.980  -3.098 -12.168
 1474    HG3  GLU  41           HG3      GLU  41   9.495  -3.869 -11.709
 1475    H    LEU  42           H        LEU  42  11.289  -0.472  -8.790
 1476    HA   LEU  42           HA       LEU  42   9.571   1.913  -8.461
 1477    HB2  LEU  42           HB2      LEU  42  11.011   0.478  -6.229
 1478    HB3  LEU  42           HB3      LEU  42  10.013   1.905  -6.067
 1479    HG   LEU  42           HG       LEU  42   8.096   0.416  -6.949
 1480   HD11  LEU  42          HD11      LEU  42   9.438  -1.440  -7.703
 1481   HD12  LEU  42          HD12      LEU  42  10.075  -1.672  -6.072
 1482   HD13  LEU  42          HD13      LEU  42   8.364  -1.956  -6.400
 1483   HD21  LEU  42          HD21      LEU  42   7.641  -0.391  -4.687
 1484   HD22  LEU  42          HD22      LEU  42   9.311  -0.054  -4.231
 1485   HD23  LEU  42          HD23      LEU  42   8.235   1.270  -4.675
 1486    HA   PRO  43           HA       PRO  43  14.281   2.586  -8.717
 1487    HB2  PRO  43           HB2      PRO  43  14.642   3.571 -11.180
 1488    HB3  PRO  43           HB3      PRO  43  14.616   1.837 -10.863
 1489    HG2  PRO  43           HG2      PRO  43  12.480   3.581 -12.008
 1490    HG3  PRO  43           HG3      PRO  43  12.925   1.920 -12.439
 1491    HD2  PRO  43           HD2      PRO  43  10.790   2.595 -10.830
 1492    HD3  PRO  43           HD3      PRO  43  11.606   1.020 -10.803
 1493    H    SER  44           H        SER  44  11.619   4.555  -9.806
 1494    HA   SER  44           HA       SER  44  12.933   7.066  -9.503
 1495    HB2  SER  44           HB2      SER  44  10.501   7.897  -9.485
 1496    HB3  SER  44           HB3      SER  44  11.044   7.052 -10.936
 1497    HG   SER  44           HG       SER  44   9.162   6.085 -10.449
 1498    H    PHE  45           H        PHE  45  10.943   4.985  -7.495
 1499    HA   PHE  45           HA       PHE  45  10.723   6.835  -5.314
 1500    HB2  PHE  45           HB2      PHE  45  10.291   3.847  -5.150
 1501    HB3  PHE  45           HB3      PHE  45   9.575   5.107  -4.153
 1502    HD1  PHE  45           HD1      PHE  45   8.384   6.987  -5.887
 1503    HD2  PHE  45           HD2      PHE  45   8.763   2.784  -6.410
 1504    HE1  PHE  45           HE1      PHE  45   6.396   6.984  -7.332
 1505    HE2  PHE  45           HE2      PHE  45   6.790   2.775  -7.867
 1506    HZ   PHE  45           HZ       PHE  45   5.604   4.868  -8.333
 1507    H    LEU  46           H        LEU  46  13.429   6.010  -6.312
 1508    HA   LEU  46           HA       LEU  46  14.486   5.033  -3.762
 1509    HB2  LEU  46           HB2      LEU  46  15.942   5.349  -6.394
 1510    HB3  LEU  46           HB3      LEU  46  16.558   4.581  -4.942
 1511    HG   LEU  46           HG       LEU  46  14.335   3.571  -6.719
 1512   HD11  LEU  46          HD11      LEU  46  17.074   2.490  -6.084
 1513   HD12  LEU  46          HD12      LEU  46  15.848   1.668  -7.053
 1514   HD13  LEU  46          HD13      LEU  46  16.548   3.187  -7.616
 1515   HD21  LEU  46          HD21      LEU  46  14.215   1.641  -5.230
 1516   HD22  LEU  46          HD22      LEU  46  15.386   2.397  -4.154
 1517   HD23  LEU  46          HD23      LEU  46  13.796   3.126  -4.377
 1518    H    GLY  47           H        GLY  47  14.181   7.763  -5.807
 1519    HA2  GLY  47           HA2      GLY  47  14.788   9.966  -5.602
 1520    HA3  GLY  47           HA3      GLY  47  15.167   9.620  -3.924
 1521    H    LYS  48           H        LYS  48  17.200   7.711  -4.393
 1522    HA   LYS  48           HA       LYS  48  19.244   9.207  -5.914
 1523    HB2  LYS  48           HB2      LYS  48  19.670   7.395  -3.521
 1524    HB3  LYS  48           HB3      LYS  48  20.927   8.223  -4.416
 1525    HG2  LYS  48           HG2      LYS  48  20.278  10.321  -3.566
 1526    HG3  LYS  48           HG3      LYS  48  18.754   9.675  -2.941
 1527    HD2  LYS  48           HD2      LYS  48  20.402   9.976  -1.146
 1528    HD3  LYS  48           HD3      LYS  48  19.980   8.277  -1.359
 1529    HE2  LYS  48           HE2      LYS  48  22.062   8.243  -2.929
 1530    HE3  LYS  48           HE3      LYS  48  22.515   9.703  -2.055
 1531    HZ1  LYS  48           HZ1      LYS  48  22.025   8.200   0.009
 1532    HZ2  LYS  48           HZ2      LYS  48  23.516   8.106  -0.789
 1533    HZ3  LYS  48           HZ3      LYS  48  22.324   6.934  -1.086
 1534    H    ARG  49           H        ARG  49  18.947   6.036  -4.445
 1535    HA   ARG  49           HA       ARG  49  18.590   4.236  -6.377
 1536    HB2  ARG  49           HB2      ARG  49  20.426   5.355  -7.676
 1537    HB3  ARG  49           HB3      ARG  49  21.538   4.967  -6.372
 1538    HG2  ARG  49           HG2      ARG  49  21.763   3.409  -8.218
 1539    HG3  ARG  49           HG3      ARG  49  21.185   2.590  -6.767
 1540    HD2  ARG  49           HD2      ARG  49  19.995   1.847  -8.778
 1541    HD3  ARG  49           HD3      ARG  49  18.916   2.621  -7.617
 1542    HE   ARG  49           HE       ARG  49  19.467   4.677  -9.195
 1543   HH11  ARG  49          HH12      ARG  49  18.804   1.361 -10.090
 1544   HH12  ARG  49          HH11      ARG  49  17.936   1.788 -11.537
 1545   HH21  ARG  49          HH22      ARG  49  18.361   5.256 -11.103
 1546   HH22  ARG  49          HH21      ARG  49  17.698   4.009 -12.129
 1547    H    THR  50           H        THR  50  19.103   2.126  -5.553
 1548    HA   THR  50           HA       THR  50  19.440   1.994  -2.763
 1549    HB   THR  50           HB       THR  50  19.700  -0.489  -3.194
 1550    HG1  THR  50           HG1      THR  50  20.553  -0.176  -5.363
 1551   HG21  THR  50          HG21      THR  50  17.526   0.536  -2.721
 1552   HG22  THR  50          HG22      THR  50  17.366  -0.767  -3.897
 1553   HG23  THR  50          HG23      THR  50  17.326   0.911  -4.432
 1554    H    ASP  51           H        ASP  51  21.314   2.720  -1.917
 1555    HA   ASP  51           HA       ASP  51  23.868   2.184  -3.110
 1556    HB2  ASP  51           HB2      ASP  51  23.225   3.274  -0.360
 1557    HB3  ASP  51           HB3      ASP  51  24.813   3.259  -1.108
 1558    H    GLU  52           H        GLU  52  25.577   1.477  -1.249
 1559    HA   GLU  52           HA       GLU  52  24.868  -1.281  -0.712
 1560    HB2  GLU  52           HB2      GLU  52  27.050  -0.726  -1.699
 1561    HB3  GLU  52           HB3      GLU  52  27.454   0.221  -0.273
 1562    HG2  GLU  52           HG2      GLU  52  27.298  -1.807   1.092
 1563    HG3  GLU  52           HG3      GLU  52  26.969  -2.742  -0.366
 1564    H    ALA  53           H        ALA  53  26.375   1.327   1.212
 1565    HA   ALA  53           HA       ALA  53  25.901  -0.026   3.682
 1566    HB1  ALA  53           HB1      ALA  53  26.802   1.972   4.732
 1567    HB2  ALA  53           HB2      ALA  53  27.797   1.493   3.358
 1568    HB3  ALA  53           HB3      ALA  53  26.679   2.849   3.207
 1569    H    ALA  54           H        ALA  54  23.980   1.977   1.717
 1570    HA   ALA  54           HA       ALA  54  22.272   2.982   3.796
 1571    HB1  ALA  54           HB1      ALA  54  20.810   3.686   1.992
 1572    HB2  ALA  54           HB2      ALA  54  22.484   4.118   1.621
 1573    HB3  ALA  54           HB3      ALA  54  21.739   2.716   0.847
 1574    H    PHE  55           H        PHE  55  22.387   0.172   1.722
 1575    HA   PHE  55           HA       PHE  55  19.656  -0.522   2.131
 1576    HB2  PHE  55           HB2      PHE  55  21.354  -1.230   0.217
 1577    HB3  PHE  55           HB3      PHE  55  21.559  -2.631   1.274
 1578    HD1  PHE  55           HD1      PHE  55  19.491  -3.887   2.009
 1579    HD2  PHE  55           HD2      PHE  55  19.484  -1.034  -1.141
 1580    HE1  PHE  55           HE1      PHE  55  17.345  -4.779   1.216
 1581    HE2  PHE  55           HE2      PHE  55  17.344  -1.921  -1.945
 1582    HZ   PHE  55           HZ       PHE  55  16.265  -3.795  -0.762
 1583    H    GLN  56           H        GLN  56  22.647  -1.405   3.759
 1584    HA   GLN  56           HA       GLN  56  21.560  -3.506   5.307
 1585    HB2  GLN  56           HB2      GLN  56  23.426  -3.127   6.853
 1586    HB3  GLN  56           HB3      GLN  56  23.977  -3.139   5.184
 1587    HG2  GLN  56           HG2      GLN  56  24.137  -0.741   5.170
 1588    HG3  GLN  56           HG3      GLN  56  23.448  -0.653   6.789
 1589   HE21  GLN  56          HE21      GLN  56  25.718  -3.131   5.884
 1590   HE22  GLN  56          HE22      GLN  56  27.039  -2.544   6.837
 1591    H    LYS  57           H        LYS  57  21.108  -0.144   5.320
 1592    HA   LYS  57           HA       LYS  57  19.869  -0.095   7.950
 1593    HB2  LYS  57           HB2      LYS  57  19.922   2.073   5.841
 1594    HB3  LYS  57           HB3      LYS  57  19.530   2.262   7.545
 1595    HG2  LYS  57           HG2      LYS  57  21.794   1.792   8.178
 1596    HG3  LYS  57           HG3      LYS  57  22.218   1.395   6.512
 1597    HD2  LYS  57           HD2      LYS  57  21.639   3.733   5.877
 1598    HD3  LYS  57           HD3      LYS  57  21.407   4.094   7.591
 1599    HE2  LYS  57           HE2      LYS  57  23.736   3.405   8.017
 1600    HE3  LYS  57           HE3      LYS  57  23.951   3.126   6.290
 1601    HZ1  LYS  57           HZ1      LYS  57  23.324   5.730   7.573
 1602    HZ2  LYS  57           HZ2      LYS  57  23.492   5.478   5.902
 1603    HZ3  LYS  57           HZ3      LYS  57  24.822   5.268   6.935
 1604    H    LEU  58           H        LEU  58  19.012   0.062   4.526
 1605    HA   LEU  58           HA       LEU  58  16.347   0.780   4.712
 1606    HB2  LEU  58           HB2      LEU  58  17.589   0.696   2.600
 1607    HB3  LEU  58           HB3      LEU  58  17.596  -1.060   2.672
 1608    HG   LEU  58           HG       LEU  58  15.115  -1.042   2.560
 1609   HD11  LEU  58          HD11      LEU  58  13.916   0.938   2.105
 1610   HD12  LEU  58          HD12      LEU  58  14.927   1.268   3.510
 1611   HD13  LEU  58          HD13      LEU  58  15.395   1.880   1.918
 1612   HD21  LEU  58          HD21      LEU  58  16.515  -1.264   0.522
 1613   HD22  LEU  58          HD22      LEU  58  14.931  -0.539   0.231
 1614   HD23  LEU  58          HD23      LEU  58  16.373   0.480   0.289
 1615    H    MET  59           H        MET  59  17.571  -2.552   4.360
 1616    HA   MET  59           HA       MET  59  15.178  -3.897   4.657
 1617    HB2  MET  59           HB2      MET  59  16.976  -5.228   4.040
 1618    HB3  MET  59           HB3      MET  59  18.015  -4.594   5.303
 1619    HG2  MET  59           HG2      MET  59  17.350  -6.950   5.625
 1620    HG3  MET  59           HG3      MET  59  16.919  -5.897   6.967
 1621    HE1  MET  59           HE1      MET  59  14.862  -6.055   3.551
 1622    HE2  MET  59           HE2      MET  59  15.625  -7.645   3.724
 1623    HE3  MET  59           HE3      MET  59  13.875  -7.483   3.883
 1624    H    SER  60           H        SER  60  17.294  -2.638   7.181
 1625    HA   SER  60           HA       SER  60  15.678  -3.787   9.277
 1626    HB2  SER  60           HB2      SER  60  18.222  -3.466   9.294
 1627    HB3  SER  60           HB3      SER  60  17.888  -1.769   9.630
 1628    HG   SER  60           HG       SER  60  17.671  -3.990  11.263
 1629    H    ASN  61           H        ASN  61  15.337  -1.165   7.292
 1630    HA   ASN  61           HA       ASN  61  14.043   0.551   9.264
 1631    HB2  ASN  61           HB2      ASN  61  14.786   0.875   6.389
 1632    HB3  ASN  61           HB3      ASN  61  13.495   1.868   7.062
 1633   HD21  ASN  61          HD21      ASN  61  14.608   3.780   6.895
 1634   HD22  ASN  61          HD22      ASN  61  15.980   4.144   7.888
 1635    H    LEU  62           H        LEU  62  13.308  -1.578   6.578
 1636    HA   LEU  62           HA       LEU  62  10.487  -1.076   6.723
 1637    HB2  LEU  62           HB2      LEU  62  12.238  -2.991   5.266
 1638    HB3  LEU  62           HB3      LEU  62  10.544  -3.404   5.458
 1639    HG   LEU  62           HG       LEU  62  10.787  -2.345   3.357
 1640   HD11  LEU  62          HD11      LEU  62   8.780  -1.753   4.566
 1641   HD12  LEU  62          HD12      LEU  62   9.632  -0.430   5.381
 1642   HD13  LEU  62          HD13      LEU  62   9.342  -0.363   3.642
 1643   HD21  LEU  62          HD21      LEU  62  12.185  -0.123   4.821
 1644   HD22  LEU  62          HD22      LEU  62  12.904  -1.247   3.668
 1645   HD23  LEU  62          HD23      LEU  62  11.704  -0.074   3.126
 1646    H    ASP  63           H        ASP  63  12.450  -3.928   7.408
 1647    HA   ASP  63           HA       ASP  63  10.435  -5.381   8.678
 1648    HB2  ASP  63           HB2      ASP  63  12.610  -6.251   7.741
 1649    HB3  ASP  63           HB3      ASP  63  13.402  -5.620   9.180
 1650    H    SER  64           H        SER  64   9.354  -4.534  10.338
 1651    HA   SER  64           HA       SER  64  10.646  -2.916  12.335
 1652    HB2  SER  64           HB2      SER  64   7.815  -3.988  12.250
 1653    HB3  SER  64           HB3      SER  64   8.409  -2.690  13.285
 1654    HG   SER  64           HG       SER  64   7.937  -2.700  10.500
 1655    H    ASN  65           H        ASN  65  10.103  -6.213  11.811
 1656    HA   ASN  65           HA       ASN  65  10.348  -7.021  14.586
 1657    HB2  ASN  65           HB2      ASN  65  10.943  -8.748  12.179
 1658    HB3  ASN  65           HB3      ASN  65  10.404  -9.258  13.774
 1659   HD21  ASN  65          HD21      ASN  65   9.478  -7.916  10.716
 1660   HD22  ASN  65          HD22      ASN  65   7.761  -8.127  10.916
 1661    H    ARG  66           H        ARG  66  12.279  -6.029  11.993
 1662    HA   ARG  66           HA       ARG  66  14.479  -5.897  11.536
 1663    HB2  ARG  66           HB2      ARG  66  14.893  -6.060  14.525
 1664    HB3  ARG  66           HB3      ARG  66  15.947  -5.296  13.340
 1665    HG2  ARG  66           HG2      ARG  66  13.933  -3.781  12.832
 1666    HG3  ARG  66           HG3      ARG  66  13.290  -4.369  14.363
 1667    HD2  ARG  66           HD2      ARG  66  14.404  -2.370  14.889
 1668    HD3  ARG  66           HD3      ARG  66  15.504  -3.655  15.387
 1669    HE   ARG  66           HE       ARG  66  16.451  -3.182  12.978
 1670   HH11  ARG  66          HH12      ARG  66  15.361  -0.848  15.368
 1671   HH12  ARG  66          HH11      ARG  66  16.449   0.389  14.818
 1672   HH21  ARG  66          HH22      ARG  66  17.840  -1.547  12.250
 1673   HH22  ARG  66          HH21      ARG  66  17.861   0.001  13.053
 1674    H    ASP  67           H        ASP  67  13.693  -8.234  10.924
 1675    HA   ASP  67           HA       ASP  67  15.395 -10.223  12.283
 1676    HB2  ASP  67           HB2      ASP  67  12.934 -10.647  12.264
 1677    HB3  ASP  67           HB3      ASP  67  12.986 -10.674  10.504
 1678    H    ASN  68           H        ASN  68  14.983  -8.357   9.536
 1679    HA   ASN  68           HA       ASN  68  16.483  -7.951   7.867
 1680    HB2  ASN  68           HB2      ASN  68  17.826 -10.442   8.899
 1681    HB3  ASN  68           HB3      ASN  68  18.352  -9.653   7.416
 1682   HD21  ASN  68          HD21      ASN  68  17.115  -7.946  10.212
 1683   HD22  ASN  68          HD22      ASN  68  18.606  -7.183  10.646
 1684    H    GLU  69           H        GLU  69  13.997  -9.463   7.793
 1685    HA   GLU  69           HA       GLU  69  14.011  -9.991   5.027
 1686    HB2  GLU  69           HB2      GLU  69  13.139 -12.395   5.265
 1687    HB3  GLU  69           HB3      GLU  69  14.869 -12.130   5.382
 1688    HG2  GLU  69           HG2      GLU  69  14.428 -12.057   7.934
 1689    HG3  GLU  69           HG3      GLU  69  12.918 -12.864   7.516
 1690    H    VAL  70           H        VAL  70  12.232  -9.137   4.404
 1691    HA   VAL  70           HA       VAL  70  10.275  -8.353   6.362
 1692    HB   VAL  70           HB       VAL  70  10.847  -7.614   3.512
 1693   HG11  VAL  70          HG11      VAL  70   8.432  -6.728   5.078
 1694   HG12  VAL  70          HG12      VAL  70   8.957  -6.076   3.525
 1695   HG13  VAL  70          HG13      VAL  70   8.418  -7.752   3.642
 1696   HG21  VAL  70          HG21      VAL  70  11.093  -5.385   4.493
 1697   HG22  VAL  70          HG22      VAL  70  10.667  -6.041   6.074
 1698   HG23  VAL  70          HG23      VAL  70  12.150  -6.563   5.273
 1699    H    ASP  71           H        ASP  71   8.271  -9.050   6.605
 1700    HA   ASP  71           HA       ASP  71   7.367 -11.314   5.003
 1701    HB2  ASP  71           HB2      ASP  71   5.763 -11.723   6.782
 1702    HB3  ASP  71           HB3      ASP  71   7.355 -11.462   7.497
 1703    H    PHE  72           H        PHE  72   4.664 -11.201   5.234
 1704    HA   PHE  72           HA       PHE  72   4.038  -9.770   2.943
 1705    HB2  PHE  72           HB2      PHE  72   2.830 -11.771   4.209
 1706    HB3  PHE  72           HB3      PHE  72   1.823 -10.455   4.807
 1707    HD1  PHE  72           HD1      PHE  72   2.431  -8.915   2.037
 1708    HD2  PHE  72           HD2      PHE  72   0.778 -12.677   3.136
 1709    HE1  PHE  72           HE1      PHE  72   1.170  -8.957  -0.077
 1710    HE2  PHE  72           HE2      PHE  72  -0.498 -12.729   1.032
 1711    HZ   PHE  72           HZ       PHE  72  -0.306 -10.873  -0.572
 1712    H    GLN  73           H        GLN  73   2.957  -8.955   6.311
 1713    HA   GLN  73           HA       GLN  73   1.633  -6.608   5.390
 1714    HB2  GLN  73           HB2      GLN  73   1.305  -7.874   7.672
 1715    HB3  GLN  73           HB3      GLN  73   2.570  -6.790   8.234
 1716    HG2  GLN  73           HG2      GLN  73   1.193  -4.886   7.364
 1717    HG3  GLN  73           HG3      GLN  73  -0.117  -6.046   7.147
 1718   HE21  GLN  73          HE21      GLN  73   1.829  -4.298   9.415
 1719   HE22  GLN  73          HE22      GLN  73   0.858  -4.633  10.807
 1720    H    GLU  74           H        GLU  74   4.824  -7.251   6.702
 1721    HA   GLU  74           HA       GLU  74   5.665  -4.579   7.004
 1722    HB2  GLU  74           HB2      GLU  74   6.738  -6.854   7.771
 1723    HB3  GLU  74           HB3      GLU  74   7.569  -6.755   6.226
 1724    HG2  GLU  74           HG2      GLU  74   9.056  -5.786   7.710
 1725    HG3  GLU  74           HG3      GLU  74   8.253  -4.397   6.971
 1726    H    TYR  75           H        TYR  75   5.529  -6.747   4.282
 1727    HA   TYR  75           HA       TYR  75   7.104  -5.167   2.508
 1728    HB2  TYR  75           HB2      TYR  75   6.817  -7.534   2.101
 1729    HB3  TYR  75           HB3      TYR  75   5.071  -7.352   2.026
 1730    HD1  TYR  75           HD2      TYR  75   4.041  -6.174   0.080
 1731    HD2  TYR  75           HD1      TYR  75   8.176  -7.162   0.203
 1732    HE1  TYR  75           HE2      TYR  75   4.158  -5.882  -2.350
 1733    HE2  TYR  75           HE1      TYR  75   8.314  -6.863  -2.243
 1734    HH   TYR  75           HH       TYR  75   5.850  -5.389  -4.060
 1735    H    CYS  76           H        CYS  76   3.671  -5.407   3.247
 1736    HA   CYS  76           HA       CYS  76   2.977  -3.692   1.060
 1737    HB2  CYS  76           HB2      CYS  76   1.261  -4.707   3.334
 1738    HB3  CYS  76           HB3      CYS  76   0.673  -3.990   1.832
 1739    HG   CYS  76           HG       CYS  76   2.300  -6.989   2.160
 1740    H    VAL  77           H        VAL  77   3.337  -3.363   4.574
 1741    HA   VAL  77           HA       VAL  77   2.403  -0.691   4.734
 1742    HB   VAL  77           HB       VAL  77   2.790  -2.066   6.749
 1743   HG11  VAL  77          HG11      VAL  77   4.688  -3.299   6.133
 1744   HG12  VAL  77          HG12      VAL  77   5.651  -1.837   5.897
 1745   HG13  VAL  77          HG13      VAL  77   5.162  -2.320   7.526
 1746   HG21  VAL  77          HG21      VAL  77   2.784   0.368   7.032
 1747   HG22  VAL  77          HG22      VAL  77   3.902  -0.399   8.161
 1748   HG23  VAL  77          HG23      VAL  77   4.523   0.415   6.726
 1749    H    PHE  78           H        PHE  78   5.453  -2.160   3.866
 1750    HA   PHE  78           HA       PHE  78   7.086   0.019   3.418
 1751    HB2  PHE  78           HB2      PHE  78   8.032  -2.091   3.033
 1752    HB3  PHE  78           HB3      PHE  78   6.685  -2.621   2.041
 1753    HD1  PHE  78           HD1      PHE  78   6.564  -2.039  -0.316
 1754    HD2  PHE  78           HD2      PHE  78   9.836  -0.812   2.117
 1755    HE1  PHE  78           HE1      PHE  78   7.874  -1.530  -2.335
 1756    HE2  PHE  78           HE2      PHE  78  11.154  -0.288   0.116
 1757    HZ   PHE  78           HZ       PHE  78  10.172  -0.655  -2.119
 1758    H    LEU  79           H        LEU  79   4.540  -1.340   1.420
 1759    HA   LEU  79           HA       LEU  79   4.913   0.397  -0.752
 1760    HB2  LEU  79           HB2      LEU  79   2.811  -1.519   0.086
 1761    HB3  LEU  79           HB3      LEU  79   2.446  -0.383  -1.199
 1762    HG   LEU  79           HG       LEU  79   4.966  -1.574  -1.764
 1763   HD11  LEU  79          HD11      LEU  79   2.752  -3.514  -1.145
 1764   HD12  LEU  79          HD12      LEU  79   4.224  -3.899  -2.038
 1765   HD13  LEU  79          HD13      LEU  79   4.323  -3.412  -0.347
 1766   HD21  LEU  79          HD21      LEU  79   3.002  -0.570  -3.127
 1767   HD22  LEU  79          HD22      LEU  79   4.013  -1.868  -3.814
 1768   HD23  LEU  79          HD23      LEU  79   2.417  -2.247  -3.139
 1769    H    SER  80           H        SER  80   2.396   0.284   1.721
 1770    HA   SER  80           HA       SER  80   1.114   2.644   0.979
 1771    HB2  SER  80           HB2      SER  80   0.512   2.624   3.543
 1772    HB3  SER  80           HB3      SER  80  -0.126   1.416   2.431
 1773    HG   SER  80           HG       SER  80   1.286  -0.068   3.198
 1774    H    CYS  81           H        CYS  81   3.929   2.065   2.967
 1775    HA   CYS  81           HA       CYS  81   4.332   4.625   3.950
 1776    HB2  CYS  81           HB2      CYS  81   5.885   3.086   4.738
 1777    HB3  CYS  81           HB3      CYS  81   6.188   2.421   3.132
 1778    HG   CYS  81           HG       CYS  81   7.940   4.213   2.303
 1779    H    ILE  82           H        ILE  82   5.471   3.209   0.876
 1780    HA   ILE  82           HA       ILE  82   6.726   5.540  -0.033
 1781    HB   ILE  82           HB       ILE  82   5.511   3.376  -1.774
 1782   HG12  ILE  82          HG12      ILE  82   8.036   3.538  -0.174
 1783   HG13  ILE  82          HG13      ILE  82   6.980   2.159  -0.465
 1784   HG21  ILE  82          HG21      ILE  82   7.752   5.339  -2.295
 1785   HG22  ILE  82          HG22      ILE  82   7.154   4.114  -3.415
 1786   HG23  ILE  82          HG23      ILE  82   6.114   5.461  -2.944
 1787   HD11  ILE  82          HD11      ILE  82   7.861   2.445  -2.929
 1788   HD12  ILE  82          HD12      ILE  82   9.207   3.242  -2.104
 1789   HD13  ILE  82          HD13      ILE  82   8.791   1.565  -1.713
 1790    H    ALA  83           H        ALA  83   3.475   4.287  -0.773
 1791    HA   ALA  83           HA       ALA  83   2.772   6.407  -2.490
 1792    HB1  ALA  83           HB1      ALA  83   1.610   4.249  -2.429
 1793    HB2  ALA  83           HB2      ALA  83   0.939   4.672  -0.854
 1794    HB3  ALA  83           HB3      ALA  83   0.503   5.619  -2.280
 1795    H    MET  84           H        MET  84   2.274   5.943   0.991
 1796    HA   MET  84           HA       MET  84   0.806   8.329   1.349
 1797    HB2  MET  84           HB2      MET  84   0.597   6.572   2.958
 1798    HB3  MET  84           HB3      MET  84   2.325   6.583   3.271
 1799    HG2  MET  84           HG2      MET  84   2.126   8.810   4.259
 1800    HG3  MET  84           HG3      MET  84   0.385   8.772   3.964
 1801    HE1  MET  84           HE1      MET  84   2.173   5.553   4.627
 1802    HE2  MET  84           HE2      MET  84   3.270   6.551   5.607
 1803    HE3  MET  84           HE3      MET  84   2.208   5.343   6.396
 1804    H    MET  85           H        MET  85   4.198   7.462   1.670
 1805    HA   MET  85           HA       MET  85   5.215   9.875   2.642
 1806    HB2  MET  85           HB2      MET  85   6.338   7.601   2.332
 1807    HB3  MET  85           HB3      MET  85   6.641   8.123   0.672
 1808    HG2  MET  85           HG2      MET  85   7.538  10.258   2.003
 1809    HG3  MET  85           HG3      MET  85   7.852   9.015   3.199
 1810    HE1  MET  85           HE1      MET  85  10.181   6.833   2.365
 1811    HE2  MET  85           HE2      MET  85   8.388   6.756   2.307
 1812    HE3  MET  85           HE3      MET  85   9.366   6.368   0.853
 1813    H    CYS  86           H        CYS  86   3.921   8.982  -0.385
 1814    HA   CYS  86           HA       CYS  86   5.421  10.796  -2.016
 1815    HB2  CYS  86           HB2      CYS  86   4.761   8.649  -2.899
 1816    HB3  CYS  86           HB3      CYS  86   3.064   9.009  -2.606
 1817    HG   CYS  86           HG       CYS  86   5.100  10.184  -5.054
 1818    H    ASN  87           H        ASN  87   2.485  11.121  -0.214
 1819    HA   ASN  87           HA       ASN  87   1.001  12.654  -2.053
 1820    HB2  ASN  87           HB2      ASN  87   0.145  11.612   0.101
 1821    HB3  ASN  87           HB3      ASN  87   0.817  13.012   0.931
 1822   HD21  ASN  87          HD21      ASN  87  -1.598  11.907  -1.328
 1823   HD22  ASN  87          HD22      ASN  87  -2.587  13.321  -1.264
 1824    H    GLU  88           H        GLU  88   3.505  13.564   0.200
 1825    HA   GLU  88           HA       GLU  88   3.122  16.377  -0.041
 1826    HB2  GLU  88           HB2      GLU  88   5.531  14.772   0.804
 1827    HB3  GLU  88           HB3      GLU  88   5.360  16.513   0.995
 1828    HG2  GLU  88           HG2      GLU  88   3.556  16.243   2.527
 1829    HG3  GLU  88           HG3      GLU  88   3.478  14.509   2.209
 1830    H    PHE  89           H        PHE  89   4.654  13.969  -1.941
 1831    HA   PHE  89           HA       PHE  89   6.348  15.853  -3.369
 1832    HB2  PHE  89           HB2      PHE  89   6.003  12.855  -3.557
 1833    HB3  PHE  89           HB3      PHE  89   7.113  13.786  -4.568
 1834    HD1  PHE  89           HD1      PHE  89   8.992  15.036  -3.483
 1835    HD2  PHE  89           HD2      PHE  89   6.591  12.235  -1.368
 1836    HE1  PHE  89           HE1      PHE  89  10.719  14.878  -1.739
 1837    HE2  PHE  89           HE2      PHE  89   8.314  12.072   0.381
 1838    HZ   PHE  89           HZ       PHE  89  10.382  13.395   0.197
 1839    H    PHE  90           H        PHE  90   3.974  13.359  -4.298
 1840    HA   PHE  90           HA       PHE  90   3.854  14.421  -6.975
 1841    HB2  PHE  90           HB2      PHE  90   3.825  12.010  -6.577
 1842    HB3  PHE  90           HB3      PHE  90   2.330  12.159  -5.666
 1843    HD1  PHE  90           HD1      PHE  90   3.843  12.434  -9.012
 1844    HD2  PHE  90           HD2      PHE  90   0.232  12.261  -6.771
 1845    HE1  PHE  90           HE1      PHE  90   2.575  12.090 -11.089
 1846    HE2  PHE  90           HE2      PHE  90  -1.043  11.918  -8.845
 1847    HZ   PHE  90           HZ       PHE  90   0.129  11.831 -11.009
 1848    H    GLU  91           H        GLU  91   1.657  14.263  -4.191
 1849    HA   GLU  91           HA       GLU  91  -0.469  15.521  -5.689
 1850    HB2  GLU  91           HB2      GLU  91  -0.837  13.756  -3.942
 1851    HB3  GLU  91           HB3      GLU  91  -0.394  14.957  -2.737
 1852    HG2  GLU  91           HG2      GLU  91  -2.843  14.649  -3.092
 1853    HG3  GLU  91           HG3      GLU  91  -2.263  16.306  -3.260
 1854    H    GLY  92           H        GLY  92   1.519  16.391  -2.858
 1855    HA2  GLY  92           HA2      GLY  92   2.539  18.628  -2.909
 1856    HA3  GLY  92           HA3      GLY  92   1.036  19.214  -3.602
 1857    H    PHE  93           H        PHE  93   1.508  17.043  -0.855
 1858    HA   PHE  93           HA       PHE  93  -0.253  18.629   0.779
 1859    HB2  PHE  93           HB2      PHE  93  -0.114  16.088   0.818
 1860    HB3  PHE  93           HB3      PHE  93   1.437  16.268   1.628
 1861    HD1  PHE  93           HD2      PHE  93  -2.159  17.131   1.932
 1862    HD2  PHE  93           HD1      PHE  93   1.536  16.492   3.942
 1863    HE1  PHE  93           HE2      PHE  93  -3.321  17.250   4.095
 1864    HE2  PHE  93           HE1      PHE  93   0.379  16.608   6.110
 1865    HZ   PHE  93           HZ       PHE  93  -2.052  16.987   6.189
 1866    HA   PRO  94           HA       PRO  94   3.339  20.934   1.887
 1867    HB2  PRO  94           HB2      PRO  94   2.111  23.061   2.999
 1868    HB3  PRO  94           HB3      PRO  94   2.092  22.767   1.256
 1869    HG2  PRO  94           HG2      PRO  94  -0.039  22.292   3.282
 1870    HG3  PRO  94           HG3      PRO  94  -0.186  22.823   1.598
 1871    HD2  PRO  94           HD2      PRO  94  -0.585  20.223   2.530
 1872    HD3  PRO  94           HD3      PRO  94  -0.311  20.686   0.839
 1873    H    ASP  95           H        ASP  95   3.301  18.916   3.493
 1874    HA   ASP  95           HA       ASP  95   3.214  19.973   6.239
 1875    HB2  ASP  95           HB2      ASP  95   2.012  17.840   5.874
 1876    HB3  ASP  95           HB3      ASP  95   3.507  17.105   5.304
 1877    H    LYS  96           H        LYS  96   5.216  17.845   4.239
 1878    HA   LYS  96           HA       LYS  96   7.426  17.653   3.901
 1879    HB2  LYS  96           HB2      LYS  96   7.365  20.078   3.454
 1880    HB3  LYS  96           HB3      LYS  96   7.640  20.390   5.163
 1881    HG2  LYS  96           HG2      LYS  96   9.796  19.181   4.986
 1882    HG3  LYS  96           HG3      LYS  96   9.522  19.023   3.251
 1883    HD2  LYS  96           HD2      LYS  96   9.775  21.610   4.782
 1884    HD3  LYS  96           HD3      LYS  96  11.008  20.895   3.745
 1885    HE2  LYS  96           HE2      LYS  96   9.370  21.054   1.852
 1886    HE3  LYS  96           HE3      LYS  96   8.313  21.971   2.927
 1887    HZ1  LYS  96           HZ1      LYS  96   9.545  23.534   1.677
 1888    HZ2  LYS  96           HZ2      LYS  96  11.004  22.725   1.951
 1889    HZ3  LYS  96           HZ3      LYS  96  10.237  23.534   3.227
 1890    H    GLN  97           H        GLN  97   7.787  15.942   5.243
 1891    HA   GLN  97           HA       GLN  97   8.292  16.032   7.986
 1892    HB2  GLN  97           HB2      GLN  97   9.522  14.247   5.874
 1893    HB3  GLN  97           HB3      GLN  97   9.673  13.984   7.606
 1894    HG2  GLN  97           HG2      GLN  97   7.225  13.762   7.756
 1895    HG3  GLN  97           HG3      GLN  97   7.121  13.949   6.008
 1896   HE21  GLN  97          HE21      GLN  97   9.676  12.203   7.642
 1897   HE22  GLN  97          HE22      GLN  97   9.219  10.632   7.071
 1898    HA   PRO  98           HA       PRO  98  11.908  18.456   8.357
 1899    HB2  PRO  98           HB2      PRO  98  12.788  16.798  10.612
 1900    HB3  PRO  98           HB3      PRO  98  12.242  18.476  10.599
 1901    HG2  PRO  98           HG2      PRO  98  10.755  16.504  11.663
 1902    HG3  PRO  98           HG3      PRO  98  10.025  17.897  10.840
 1903    HD2  PRO  98           HD2      PRO  98  10.483  15.118   9.819
 1904    HD3  PRO  98           HD3      PRO  98   9.065  16.169   9.625
 1905    H    ARG  99           H        ARG  99  12.276  16.207   6.532
 1906    HA   ARG  99           HA       ARG  99  15.158  15.863   6.916
 1907    HB2  ARG  99           HB2      ARG  99  13.136  13.714   6.552
 1908    HB3  ARG  99           HB3      ARG  99  14.695  13.521   5.757
 1909    HG2  ARG  99           HG2      ARG  99  14.294  14.025   8.700
 1910    HG3  ARG  99           HG3      ARG  99  14.651  12.459   7.962
 1911    HD2  ARG  99           HD2      ARG  99  16.796  13.119   7.315
 1912    HD3  ARG  99           HD3      ARG  99  16.422  14.832   7.498
 1913    HE   ARG  99           HE       ARG  99  16.390  13.205   9.918
 1914   HH11  ARG  99          HH12      ARG  99  18.122  15.436   7.847
 1915   HH12  ARG  99          HH11      ARG  99  19.208  15.963   9.102
 1916   HH21  ARG  99          HH22      ARG  99  17.797  13.896  11.578
 1917   HH22  ARG  99          HH21      ARG  99  19.032  15.074  11.230
 1918    H    LYS 100           H        LYS 100  12.492  15.497   4.552
 1919    HA   LYS 100           HA       LYS 100  13.941  16.928   2.574
 1920    HB2  LYS 100           HB2      LYS 100  14.244  15.031   0.984
 1921    HB3  LYS 100           HB3      LYS 100  15.281  14.956   2.400
 1922    HG2  LYS 100           HG2      LYS 100  13.639  13.351   3.408
 1923    HG3  LYS 100           HG3      LYS 100  12.815  13.324   1.846
 1924    HD2  LYS 100           HD2      LYS 100  15.709  12.600   2.308
 1925    HD3  LYS 100           HD3      LYS 100  14.388  11.446   2.112
 1926    HE2  LYS 100           HE2      LYS 100  14.055  12.044  -0.133
 1927    HE3  LYS 100           HE3      LYS 100  14.982  13.533   0.040
 1928    HZ1  LYS 100           HZ1      LYS 100  16.987  12.288   0.217
 1929    HZ2  LYS 100           HZ2      LYS 100  16.162  11.745  -1.164
 1930    HZ3  LYS 100           HZ3      LYS 100  16.153  10.812   0.256
 1931    H    LYS 101           H        LYS 101  12.620  17.733   1.117
 1932    HA   LYS 101           HA       LYS 101  10.369  16.169   0.139
 1933    HB2  LYS 101           HB2      LYS 101   9.386  17.622   1.894
 1934    HB3  LYS 101           HB3      LYS 101  10.049  19.032   1.076
 1935    HG2  LYS 101           HG2      LYS 101   8.708  18.218  -0.964
 1936    HG3  LYS 101           HG3      LYS 101   7.835  17.219   0.198
 1937    HD2  LYS 101           HD2      LYS 101   7.157  19.167   1.439
 1938    HD3  LYS 101           HD3      LYS 101   8.156  20.208   0.421
 1939    HE2  LYS 101           HE2      LYS 101   6.764  19.358  -1.534
 1940    HE3  LYS 101           HE3      LYS 101   5.659  18.707  -0.325
 1941    HZ1  LYS 101           HZ1      LYS 101   5.346  20.931   0.547
 1942    HZ2  LYS 101           HZ2      LYS 101   4.976  20.895  -1.109
 1943    HZ3  LYS 101           HZ3      LYS 101   6.442  21.561  -0.580
  Start of MODEL   11
    1    H1   GLN1897           H1       GLN1897 -19.948 -11.292   3.571
    2    H2   GLN1897           H2       GLN1897 -21.000 -11.873   2.378
    3    H3   GLN1897           H3       GLN1897 -21.215 -10.313   3.009
    4    HA   GLN1897           HA       GLN1897 -18.907 -11.247   1.415
    5    HB2  GLN1897           HB2      GLN1897 -20.788 -10.994  -0.034
    6    HB3  GLN1897           HB3      GLN1897 -21.281  -9.503   0.754
    7    HG2  GLN1897           HG2      GLN1897 -20.252  -9.185  -1.480
    8    HG3  GLN1897           HG3      GLN1897 -19.433  -8.303  -0.188
    9   HE21  GLN1897          HE21      GLN1897 -17.567  -8.155  -1.326
   10   HE22  GLN1897          HE22      GLN1897 -16.502  -9.483  -1.556
   11    H    ARG1898           H        ARG1898 -17.254 -10.414   2.605
   12    HA   ARG1898           HA       ARG1898 -16.715  -7.716   2.188
   13    HB2  ARG1898           HB2      ARG1898 -18.246  -7.360   4.061
   14    HB3  ARG1898           HB3      ARG1898 -17.258  -8.405   5.073
   15    HG2  ARG1898           HG2      ARG1898 -16.678  -6.175   5.614
   16    HG3  ARG1898           HG3      ARG1898 -15.344  -6.847   4.681
   17    HD2  ARG1898           HD2      ARG1898 -17.442  -4.884   3.781
   18    HD3  ARG1898           HD3      ARG1898 -15.701  -4.638   3.901
   19    HE   ARG1898           HE       ARG1898 -16.120  -6.677   2.052
   20   HH11  ARG1898          HH12      ARG1898 -16.844  -3.272   2.370
   21   HH12  ARG1898          HH11      ARG1898 -16.826  -2.980   0.661
   22   HH21  ARG1898          HH22      ARG1898 -16.094  -6.316  -0.193
   23   HH22  ARG1898          HH21      ARG1898 -16.410  -4.713  -0.800
   24    H    GLU1899           H        GLU1899 -14.936  -8.655   1.303
   25    HA   GLU1899           HA       GLU1899 -12.955 -10.074   2.740
   26    HB2  GLU1899           HB2      GLU1899 -11.462  -9.096   0.917
   27    HB3  GLU1899           HB3      GLU1899 -12.832 -10.049   0.352
   28    HG2  GLU1899           HG2      GLU1899 -13.175  -7.130   0.711
   29    HG3  GLU1899           HG3      GLU1899 -12.291  -7.677  -0.694
   30    H    LEU1900           H        LEU1900 -13.912  -6.755   2.443
   31    HA   LEU1900           HA       LEU1900 -11.467  -5.597   3.284
   32    HB2  LEU1900           HB2      LEU1900 -14.260  -4.515   2.985
   33    HB3  LEU1900           HB3      LEU1900 -12.996  -3.579   3.745
   34    HG   LEU1900           HG       LEU1900 -13.051  -2.821   1.556
   35   HD11  LEU1900          HD11      LEU1900 -10.806  -3.148   2.319
   36   HD12  LEU1900          HD12      LEU1900 -10.821  -4.817   1.741
   37   HD13  LEU1900          HD13      LEU1900 -10.907  -3.483   0.589
   38   HD21  LEU1900          HD21      LEU1900 -12.934  -4.256  -0.396
   39   HD22  LEU1900          HD22      LEU1900 -13.085  -5.663   0.659
   40   HD23  LEU1900          HD23      LEU1900 -14.397  -4.487   0.564
   41    H    GLU1901           H        GLU1901 -13.680  -7.384   4.987
   42    HA   GLU1901           HA       GLU1901 -13.396  -6.010   7.496
   43    HB2  GLU1901           HB2      GLU1901 -15.309  -7.553   6.950
   44    HB3  GLU1901           HB3      GLU1901 -14.174  -8.894   7.040
   45    HG2  GLU1901           HG2      GLU1901 -13.779  -8.516   9.345
   46    HG3  GLU1901           HG3      GLU1901 -14.645  -6.981   9.305
   47    H    ASP1902           H        ASP1902 -12.203  -9.153   6.291
   48    HA   ASP1902           HA       ASP1902 -10.050  -9.391   8.079
   49    HB2  ASP1902           HB2      ASP1902 -10.805 -11.291   6.773
   50    HB3  ASP1902           HB3      ASP1902 -10.419 -10.464   5.270
   51    H    ALA1903           H        ALA1903 -10.445  -7.663   5.089
   52    HA   ALA1903           HA       ALA1903  -7.782  -7.207   4.371
   53    HB1  ALA1903           HB1      ALA1903  -8.581  -5.527   2.935
   54    HB2  ALA1903           HB2      ALA1903  -9.891  -6.708   3.018
   55    HB3  ALA1903           HB3      ALA1903  -9.988  -5.207   3.954
   56    H    THR1904           H        THR1904  -9.978  -4.817   5.805
   57    HA   THR1904           HA       THR1904  -7.593  -3.218   6.268
   58    HB   THR1904           HB       THR1904  -9.128  -1.280   6.217
   59    HG1  THR1904           HG1      THR1904 -11.246  -1.557   6.058
   60   HG21  THR1904          HG21      THR1904  -8.022  -1.969   4.183
   61   HG22  THR1904          HG22      THR1904  -9.678  -1.499   3.792
   62   HG23  THR1904          HG23      THR1904  -9.247  -3.204   3.893
   63    H    GLU1905           H        GLU1905  -9.641  -5.119   8.046
   64    HA   GLU1905           HA       GLU1905  -9.723  -3.759  10.501
   65    HB2  GLU1905           HB2      GLU1905 -10.728  -5.983  10.127
   66    HB3  GLU1905           HB3      GLU1905  -9.117  -6.666   9.956
   67    HG2  GLU1905           HG2      GLU1905  -8.629  -6.394  12.215
   68    HG3  GLU1905           HG3      GLU1905  -9.950  -5.260  12.459
   69    H    THR1906           H        THR1906  -7.315  -5.741   8.920
   70    HA   THR1906           HA       THR1906  -5.213  -5.258  10.758
   71    HB   THR1906           HB       THR1906  -4.080  -5.988   8.314
   72    HG1  THR1906           HG1      THR1906  -6.012  -6.411   7.327
   73   HG21  THR1906          HG21      THR1906  -3.518  -6.942  10.481
   74   HG22  THR1906          HG22      THR1906  -3.972  -8.230   9.366
   75   HG23  THR1906          HG23      THR1906  -5.117  -7.681  10.594
   76    H    ALA1907           H        ALA1907  -6.558  -3.466   8.110
   77    HA   ALA1907           HA       ALA1907  -4.367  -1.928   7.371
   78    HB1  ALA1907           HB1      ALA1907  -6.449  -1.700   6.164
   79    HB2  ALA1907           HB2      ALA1907  -7.234  -1.026   7.597
   80    HB3  ALA1907           HB3      ALA1907  -5.951  -0.118   6.791
   81    H    ASP1908           H        ASP1908  -6.672  -1.359   9.990
   82    HA   ASP1908           HA       ASP1908  -5.539   0.948  11.052
   83    HB2  ASP1908           HB2      ASP1908  -7.689   0.254  11.804
   84    HB3  ASP1908           HB3      ASP1908  -7.074  -1.303  12.346
   85    H    ALA1909           H        ALA1909  -4.528  -2.391  11.366
   86    HA   ALA1909           HA       ALA1909  -2.665  -1.921  13.483
   87    HB1  ALA1909           HB1      ALA1909  -3.553  -4.154  13.045
   88    HB2  ALA1909           HB2      ALA1909  -2.733  -4.175  11.484
   89    HB3  ALA1909           HB3      ALA1909  -1.791  -4.129  12.974
   90    H    MET1910           H        MET1910  -2.024  -2.745  10.041
   91    HA   MET1910           HA       MET1910   0.545  -1.906   9.813
   92    HB2  MET1910           HB2      MET1910  -0.394  -2.879   7.937
   93    HB3  MET1910           HB3      MET1910  -1.770  -1.795   7.919
   94    HG2  MET1910           HG2      MET1910  -0.300   0.033   7.179
   95    HG3  MET1910           HG3      MET1910   1.065  -1.085   7.172
   96    HE1  MET1910           HE1      MET1910  -0.387  -3.733   6.136
   97    HE2  MET1910           HE2      MET1910  -0.069  -3.627   4.403
   98    HE3  MET1910           HE3      MET1910   1.199  -3.214   5.561
   99    H    ASN1911           H        ASN1911  -2.193   0.220  10.285
  100    HA   ASN1911           HA       ASN1911  -1.007   2.515   9.098
  101    HB2  ASN1911           HB2      ASN1911  -3.455   2.205   9.471
  102    HB3  ASN1911           HB3      ASN1911  -3.171   2.483  11.181
  103   HD21  ASN1911          HD21      ASN1911  -3.089   3.897   8.019
  104   HD22  ASN1911          HD22      ASN1911  -3.091   5.538   8.530
  105    H    ARG1912           H        ARG1912  -0.808   1.226  12.397
  106    HA   ARG1912           HA       ARG1912   0.181   3.682  13.437
  107    HB2  ARG1912           HB2      ARG1912   1.000   2.102  15.289
  108    HB3  ARG1912           HB3      ARG1912  -0.711   2.395  15.130
  109    HG2  ARG1912           HG2      ARG1912  -0.427   0.109  15.597
  110    HG3  ARG1912           HG3      ARG1912  -0.804   0.211  13.877
  111    HD2  ARG1912           HD2      ARG1912   1.475  -0.089  13.274
  112    HD3  ARG1912           HD3      ARG1912   1.997   0.044  14.965
  113    HE   ARG1912           HE       ARG1912   0.153  -2.114  14.508
  114   HH11  ARG1912          HH12      ARG1912   3.529  -1.164  14.465
  115   HH12  ARG1912          HH11      ARG1912   4.114  -2.791  14.608
  116   HH21  ARG1912          HH22      ARG1912   0.921  -4.243  14.731
  117   HH22  ARG1912          HH21      ARG1912   2.635  -4.545  14.783
  118    H    GLU1913           H        GLU1913   1.616   0.764  12.192
  119    HA   GLU1913           HA       GLU1913   4.303   1.602  12.705
  120    HB2  GLU1913           HB2      GLU1913   4.943  -0.380  11.388
  121    HB3  GLU1913           HB3      GLU1913   3.786  -0.765  12.654
  122    HG2  GLU1913           HG2      GLU1913   1.987  -0.787  11.010
  123    HG3  GLU1913           HG3      GLU1913   3.142  -0.393   9.732
  124    H    VAL1914           H        VAL1914   2.105   1.685   9.970
  125    HA   VAL1914           HA       VAL1914   3.928   2.210   7.928
  126    HB   VAL1914           HB       VAL1914   1.421   1.679   7.764
  127   HG11  VAL1914          HG11      VAL1914  -0.043   3.619   7.490
  128   HG12  VAL1914          HG12      VAL1914   0.586   3.459   9.138
  129   HG13  VAL1914          HG13      VAL1914   1.278   4.660   8.036
  130   HG21  VAL1914          HG21      VAL1914   2.751   2.075   5.796
  131   HG22  VAL1914          HG22      VAL1914   1.162   2.827   5.630
  132   HG23  VAL1914          HG23      VAL1914   2.574   3.819   5.999
  133    H    SER1915           H        SER1915   2.411   4.375  10.241
  134    HA   SER1915           HA       SER1915   3.163   6.744   8.875
  135    HB2  SER1915           HB2      SER1915   1.257   6.461  10.478
  136    HB3  SER1915           HB3      SER1915   2.434   6.481  11.791
  137    HG   SER1915           HG       SER1915   2.461   8.576  11.645
  138    H    SER1916           H        SER1916   4.565   4.745  11.393
  139    HA   SER1916           HA       SER1916   6.770   6.550  11.849
  140    HB2  SER1916           HB2      SER1916   5.904   5.105  13.664
  141    HB3  SER1916           HB3      SER1916   6.389   3.681  12.748
  142    HG   SER1916           HG       SER1916   8.217   5.717  13.512
  143    H    LEU1917           H        LEU1917   6.162   3.579  10.031
  144    HA   LEU1917           HA       LEU1917   8.843   3.121   9.301
  145    HB2  LEU1917           HB2      LEU1917   7.001   1.411   9.221
  146    HB3  LEU1917           HB3      LEU1917   6.398   2.212   7.784
  147    HG   LEU1917           HG       LEU1917   9.177   1.029   7.970
  148   HD11  LEU1917          HD11      LEU1917   7.757  -0.835   8.165
  149   HD12  LEU1917          HD12      LEU1917   6.616  -0.182   6.983
  150   HD13  LEU1917          HD13      LEU1917   8.206  -0.736   6.455
  151   HD21  LEU1917          HD21      LEU1917   7.510   1.824   5.603
  152   HD22  LEU1917          HD22      LEU1917   8.840   2.767   6.275
  153   HD23  LEU1917          HD23      LEU1917   9.152   1.179   5.570
  154    H    LYS1918           H        LYS1918   6.155   4.748   7.601
  155    HA   LYS1918           HA       LYS1918   7.658   5.311   5.321
  156    HB2  LYS1918           HB2      LYS1918   5.714   6.065   4.588
  157    HB3  LYS1918           HB3      LYS1918   5.052   5.862   6.200
  158    HG2  LYS1918           HG2      LYS1918   6.536   8.344   5.476
  159    HG3  LYS1918           HG3      LYS1918   4.845   8.131   5.008
  160    HD2  LYS1918           HD2      LYS1918   4.083   8.134   7.187
  161    HD3  LYS1918           HD3      LYS1918   5.633   7.578   7.825
  162    HE2  LYS1918           HE2      LYS1918   6.630   9.729   7.383
  163    HE3  LYS1918           HE3      LYS1918   5.126  10.303   6.666
  164    HZ1  LYS1918           HZ1      LYS1918   4.042  10.158   8.775
  165    HZ2  LYS1918           HZ2      LYS1918   5.474  11.039   8.994
  166    HZ3  LYS1918           HZ3      LYS1918   5.388   9.421   9.492
  167    H    ASN1919           H        ASN1919   7.724   6.608   8.457
  168    HA   ASN1919           HA       ASN1919   9.067   9.063   7.762
  169    HB2  ASN1919           HB2      ASN1919   7.568   8.957   9.715
  170    HB3  ASN1919           HB3      ASN1919   8.627   7.765  10.460
  171   HD21  ASN1919          HD21      ASN1919   8.205  11.107   9.631
  172   HD22  ASN1919          HD22      ASN1919   9.518  11.716  10.577
  173    H    LYS1920           H        LYS1920   9.991   5.776   8.582
  174    HA   LYS1920           HA       LYS1920  12.717   6.587   9.090
  175    HB2  LYS1920           HB2      LYS1920  13.057   3.953   8.879
  176    HB3  LYS1920           HB3      LYS1920  12.523   4.718  10.357
  177    HG2  LYS1920           HG2      LYS1920  10.182   4.119   9.752
  178    HG3  LYS1920           HG3      LYS1920  10.797   3.204   8.361
  179    HD2  LYS1920           HD2      LYS1920  12.123   1.807   9.872
  180    HD3  LYS1920           HD3      LYS1920  11.552   2.733  11.259
  181    HE2  LYS1920           HE2      LYS1920   9.248   2.030  10.749
  182    HE3  LYS1920           HE3      LYS1920   9.851   1.074   9.398
  183    HZ1  LYS1920           HZ1      LYS1920   9.471  -0.286  11.360
  184    HZ2  LYS1920           HZ2      LYS1920  10.556   0.655  12.258
  185    HZ3  LYS1920           HZ3      LYS1920  11.115  -0.275  10.953
  186    H    LEU1921           H        LEU1921  10.772   5.325   6.498
  187    HA   LEU1921           HA       LEU1921  12.931   4.832   4.724
  188    HB2  LEU1921           HB2      LEU1921  10.090   5.572   4.016
  189    HB3  LEU1921           HB3      LEU1921  11.265   4.817   2.957
  190    HG   LEU1921           HG       LEU1921   9.763   3.622   5.252
  191   HD11  LEU1921          HD11      LEU1921   8.793   3.460   3.031
  192   HD12  LEU1921          HD12      LEU1921  10.277   2.720   2.429
  193   HD13  LEU1921          HD13      LEU1921   9.296   1.873   3.629
  194   HD21  LEU1921          HD21      LEU1921  12.115   3.092   5.644
  195   HD22  LEU1921          HD22      LEU1921  11.188   1.664   5.176
  196   HD23  LEU1921          HD23      LEU1921  12.243   2.457   4.004
  197    H    ARG1922           H        ARG1922  11.013   7.632   5.515
  198    HA   ARG1922           HA       ARG1922  12.317   9.205   3.441
  199    HB2  ARG1922           HB2      ARG1922   9.804   9.194   4.004
  200    HB3  ARG1922           HB3      ARG1922  10.247  10.178   5.385
  201    HG2  ARG1922           HG2      ARG1922   9.407  11.348   3.324
  202    HG3  ARG1922           HG3      ARG1922  10.888  11.981   4.045
  203    HD2  ARG1922           HD2      ARG1922  10.848  10.055   1.725
  204    HD3  ARG1922           HD3      ARG1922  10.804  11.802   1.512
  205    HE   ARG1922           HE       ARG1922  13.067  10.192   2.382
  206   HH11  ARG1922          HH12      ARG1922  11.725  13.383   1.894
  207   HH12  ARG1922          HH11      ARG1922  13.272  14.170   1.847
  208   HH21  ARG1922          HH22      ARG1922  15.114  11.207   2.289
  209   HH22  ARG1922          HH21      ARG1922  15.198  12.931   2.078
  210    H    ARG1923           H        ARG1923  13.120   8.241   6.409
  211    HA   ARG1923           HA       ARG1923  13.875  10.507   7.855
  212    HB2  ARG1923           HB2      ARG1923  13.877   8.192   8.734
  213    HB3  ARG1923           HB3      ARG1923  15.266   7.821   7.725
  214    HG2  ARG1923           HG2      ARG1923  15.987   8.195   9.979
  215    HG3  ARG1923           HG3      ARG1923  16.576   9.504   8.956
  216    HD2  ARG1923           HD2      ARG1923  15.721  10.312  11.117
  217    HD3  ARG1923           HD3      ARG1923  14.822  10.965   9.750
  218    HE   ARG1923           HE       ARG1923  12.983   9.610  10.340
  219   HH11  ARG1923          HH12      ARG1923  15.655   9.283  12.588
  220   HH12  ARG1923          HH11      ARG1923  14.660   8.654  13.869
  221   HH21  ARG1923          HH22      ARG1923  11.676   8.821  12.033
  222   HH22  ARG1923          HH21      ARG1923  12.408   8.370  13.545
  223    H    GLY1924           H        GLY1924  15.869   8.537   5.618
  224    HA2  GLY1924           HA2      GLY1924  16.929  10.116   3.880
  225    HA3  GLY1924           HA3      GLY1924  17.638  10.876   5.300
  226    H    ASP1925           H        ASP1925  17.592   8.024   6.432
  227    HA   ASP1925           HA       ASP1925  20.237   7.267   5.655
  228    HB2  ASP1925           HB2      ASP1925  18.140   5.962   7.396
  229    HB3  ASP1925           HB3      ASP1925  19.732   5.263   7.126
  230    H    LEU1926           H        LEU1926  17.271   6.886   4.248
  231    HA   LEU1926           HA       LEU1926  17.624   4.218   3.225
  232    HB2  LEU1926           HB2      LEU1926  15.550   6.334   3.009
  233    HB3  LEU1926           HB3      LEU1926  15.615   5.116   1.755
  234    HG   LEU1926           HG       LEU1926  14.579   4.936   4.490
  235   HD11  LEU1926          HD11      LEU1926  13.282   3.157   3.412
  236   HD12  LEU1926          HD12      LEU1926  13.259   4.648   2.469
  237   HD13  LEU1926          HD13      LEU1926  14.282   3.302   1.967
  238   HD21  LEU1926          HD21      LEU1926  16.298   2.690   3.410
  239   HD22  LEU1926          HD22      LEU1926  16.645   3.665   4.839
  240   HD23  LEU1926          HD23      LEU1926  15.239   2.601   4.816
  241    HA   PRO1927           HA       PRO1927  19.237   5.562  -0.755
  242    HB2  PRO1927           HB2      PRO1927  19.217   3.179  -1.968
  243    HB3  PRO1927           HB3      PRO1927  20.366   3.543  -0.681
  244    HG2  PRO1927           HG2      PRO1927  17.934   1.849  -0.623
  245    HG3  PRO1927           HG3      PRO1927  19.424   1.706   0.321
  246    HD2  PRO1927           HD2      PRO1927  16.969   2.851   1.156
  247    HD3  PRO1927           HD3      PRO1927  18.513   2.878   2.026
  248    H    PHE1928           H        PHE1928  16.146   4.833   0.021
  249    HA   PHE1928           HA       PHE1928  15.179   5.211  -2.700
  250    HB2  PHE1928           HB2      PHE1928  14.336   3.145  -2.899
  251    HB3  PHE1928           HB3      PHE1928  15.206   2.720  -1.455
  252    HD1  PHE1928           HD2      PHE1928  11.987   4.416  -2.288
  253    HD2  PHE1928           HD1      PHE1928  14.079   1.576   0.046
  254    HE1  PHE1928           HE2      PHE1928   9.898   3.811  -1.177
  255    HE2  PHE1928           HE1      PHE1928  11.978   0.949   1.166
  256    HZ   PHE1928           HZ       PHE1928   9.904   2.071   0.538
  257    H    VAL1929           H        VAL1929  13.380   6.401  -2.841
  258    HA   VAL1929           HA       VAL1929  11.683   7.127  -0.662
  259    HB   VAL1929           HB       VAL1929  12.386   9.588  -0.798
  260   HG11  VAL1929          HG11      VAL1929  14.320   7.664   0.465
  261   HG12  VAL1929          HG12      VAL1929  14.084   9.355   0.916
  262   HG13  VAL1929          HG13      VAL1929  12.790   8.183   1.173
  263   HG21  VAL1929          HG21      VAL1929  13.760   9.288  -2.783
  264   HG22  VAL1929          HG22      VAL1929  14.696   9.989  -1.455
  265   HG23  VAL1929          HG23      VAL1929  14.872   8.278  -1.859
  266    H    VAL1930           H        VAL1930  10.089   8.733  -1.361
  267    HA   VAL1930           HA       VAL1930   9.632   8.647  -4.194
  268    HB   VAL1930           HB       VAL1930   8.110  10.170  -2.079
  269   HG11  VAL1930          HG11      VAL1930   7.383   9.481  -4.925
  270   HG12  VAL1930          HG12      VAL1930   6.323  10.266  -3.754
  271   HG13  VAL1930          HG13      VAL1930   7.779  11.086  -4.314
  272   HG21  VAL1930          HG21      VAL1930   8.066   7.767  -1.680
  273   HG22  VAL1930          HG22      VAL1930   6.489   8.345  -2.225
  274   HG23  VAL1930          HG23      VAL1930   7.552   7.493  -3.346
  275    HA   PRO1931           HA       PRO1931  11.756  12.529  -5.073
  276    HB2  PRO1931           HB2      PRO1931  10.887  12.607  -7.673
  277    HB3  PRO1931           HB3      PRO1931  12.309  11.708  -7.134
  278    HG2  PRO1931           HG2      PRO1931   9.548  10.729  -7.701
  279    HG3  PRO1931           HG3      PRO1931  11.106   9.965  -8.060
  280    HD2  PRO1931           HD2      PRO1931   9.554   9.208  -5.976
  281    HD3  PRO1931           HD3      PRO1931  11.327   9.124  -5.923
  282    H    ARG1932           H        ARG1932  10.943  14.593  -6.187
  283    HA   ARG1932           HA       ARG1932   8.950  15.804  -4.813
  284    HB2  ARG1932           HB2      ARG1932   9.787  16.312  -7.666
  285    HB3  ARG1932           HB3      ARG1932   8.745  17.395  -6.752
  286    HG2  ARG1932           HG2      ARG1932  11.563  16.624  -6.020
  287    HG3  ARG1932           HG3      ARG1932  11.051  18.162  -6.725
  288    HD2  ARG1932           HD2      ARG1932   9.756  18.694  -4.788
  289    HD3  ARG1932           HD3      ARG1932  10.013  17.087  -4.113
  290    HE   ARG1932           HE       ARG1932  12.491  18.402  -4.540
  291   HH11  ARG1932          HH12      ARG1932   9.698  18.363  -2.422
  292   HH12  ARG1932          HH11      ARG1932  10.589  18.944  -1.036
  293   HH21  ARG1932          HH22      ARG1932  13.652  19.158  -2.739
  294   HH22  ARG1932          HH21      ARG1932  12.838  19.398  -1.223
  295    H    ARG1933           H        ARG1933   8.496  14.061  -7.856
  296    HA   ARG1933           HA       ARG1933   5.689  13.662  -7.088
  297    HB2  ARG1933           HB2      ARG1933   6.730  14.571  -9.760
  298    HB3  ARG1933           HB3      ARG1933   5.294  13.566  -9.685
  299    HG2  ARG1933           HG2      ARG1933   4.514  15.771  -9.802
  300    HG3  ARG1933           HG3      ARG1933   4.330  15.304  -8.111
  301    HD2  ARG1933           HD2      ARG1933   6.390  16.473  -7.555
  302    HD3  ARG1933           HD3      ARG1933   6.613  16.908  -9.249
  303    HE   ARG1933           HE       ARG1933   4.266  17.832  -7.718
  304   HH11  ARG1933          HH12      ARG1933   7.045  18.425  -9.757
  305   HH12  ARG1933          HH11      ARG1933   6.716  20.124  -9.937
  306   HH21  ARG1933          HH22      ARG1933   3.818  20.070  -7.943
  307   HH22  ARG1933          HH21      ARG1933   4.879  21.059  -8.908
  308    H    MET1934           H        MET1934   5.294  12.089  -9.532
  309    HA   MET1934           HA       MET1934   6.427   9.631  -8.514
  310    HB2  MET1934           HB2      MET1934   4.746   9.846 -10.990
  311    HB3  MET1934           HB3      MET1934   4.872   8.509  -9.859
  312    HG2  MET1934           HG2      MET1934   3.321  11.048  -9.623
  313    HG3  MET1934           HG3      MET1934   2.778   9.385  -9.433
  314    HE1  MET1934           HE1      MET1934   4.335   8.511  -5.894
  315    HE2  MET1934           HE2      MET1934   3.423   7.876  -7.264
  316    HE3  MET1934           HE3      MET1934   5.130   8.281  -7.450
  317    H    ALA1935           H        ALA1935   8.061  11.699  -9.774
  318    HA   ALA1935           HA       ALA1935   8.795  11.353 -12.392
  319    HB1  ALA1935           HB1      ALA1935  10.560  12.089 -10.069
  320    HB2  ALA1935           HB2      ALA1935  10.887  12.431 -11.769
  321    HB3  ALA1935           HB3      ALA1935   9.516  13.196 -10.964
  322    H    MET   1           H1       MET   1   0.947  -5.009 -17.843
  323    HA   MET   1           HA       MET   1   1.654  -4.323 -20.634
  324    HB2  MET   1           HB2      MET   1  -0.782  -4.625 -20.166
  325    HB3  MET   1           HB3      MET   1  -0.659  -3.393 -18.919
  326    HG2  MET   1           HG2      MET   1   0.030  -1.765 -20.627
  327    HG3  MET   1           HG3      MET   1  -0.173  -3.006 -21.863
  328    HE1  MET   1           HE1      MET   1  -2.555  -4.209 -22.329
  329    HE2  MET   1           HE2      MET   1  -2.760  -4.521 -20.606
  330    HE3  MET   1           HE3      MET   1  -4.048  -3.735 -21.519
  331    H    ALA   2           H        ALA   2   0.859  -2.936 -17.434
  332    HA   ALA   2           HA       ALA   2   2.835  -0.818 -17.930
  333    HB1  ALA   2           HB1      ALA   2   0.592  -0.128 -17.181
  334    HB2  ALA   2           HB2      ALA   2   0.803  -1.080 -15.711
  335    HB3  ALA   2           HB3      ALA   2   1.842   0.314 -16.017
  336    H    CYS   3           H        CYS   3   4.246  -0.244 -16.017
  337    HA   CYS   3           HA       CYS   3   5.550  -2.530 -14.953
  338    HB2  CYS   3           HB2      CYS   3   5.748   0.347 -14.031
  339    HB3  CYS   3           HB3      CYS   3   6.904  -0.941 -13.699
  340    HG   CYS   3           HG       CYS   3   7.501   1.146 -15.789
  341    HA   PRO   4           HA       PRO   4   2.164  -3.415 -12.254
  342    HB2  PRO   4           HB2      PRO   4   4.272  -5.144 -11.035
  343    HB3  PRO   4           HB3      PRO   4   2.628  -5.568 -11.544
  344    HG2  PRO   4           HG2      PRO   4   4.628  -6.302 -13.069
  345    HG3  PRO   4           HG3      PRO   4   3.217  -5.542 -13.831
  346    HD2  PRO   4           HD2      PRO   4   5.870  -4.326 -13.135
  347    HD3  PRO   4           HD3      PRO   4   4.926  -4.179 -14.636
  348    H    LEU   5           H        LEU   5   5.225  -3.631 -10.382
  349    HA   LEU   5           HA       LEU   5   3.937  -2.730  -8.007
  350    HB2  LEU   5           HB2      LEU   5   6.284  -4.012  -8.565
  351    HB3  LEU   5           HB3      LEU   5   6.860  -2.409  -8.155
  352    HG   LEU   5           HG       LEU   5   6.876  -3.934  -6.221
  353   HD11  LEU   5          HD11      LEU   5   4.886  -1.692  -5.973
  354   HD12  LEU   5          HD12      LEU   5   5.725  -2.482  -4.638
  355   HD13  LEU   5          HD13      LEU   5   6.638  -1.553  -5.827
  356   HD21  LEU   5          HD21      LEU   5   4.968  -5.321  -6.850
  357   HD22  LEU   5          HD22      LEU   5   4.792  -4.677  -5.216
  358   HD23  LEU   5          HD23      LEU   5   3.883  -3.963  -6.549
  359    H    GLU   6           H        GLU   6   5.594  -1.154 -10.607
  360    HA   GLU   6           HA       GLU   6   6.185   1.305  -9.456
  361    HB2  GLU   6           HB2      GLU   6   6.996   0.745 -11.659
  362    HB3  GLU   6           HB3      GLU   6   5.355   0.621 -12.274
  363    HG2  GLU   6           HG2      GLU   6   5.120   3.082 -11.665
  364    HG3  GLU   6           HG3      GLU   6   6.876   3.080 -11.492
  365    H    LYS   7           H        LYS   7   3.328   0.337 -11.309
  366    HA   LYS   7           HA       LYS   7   2.046   2.825 -10.986
  367    HB2  LYS   7           HB2      LYS   7   1.249   0.170 -12.079
  368    HB3  LYS   7           HB3      LYS   7  -0.016   1.340 -11.717
  369    HG2  LYS   7           HG2      LYS   7   2.377   1.927 -13.445
  370    HG3  LYS   7           HG3      LYS   7   0.799   1.419 -14.061
  371    HD2  LYS   7           HD2      LYS   7  -0.215   3.395 -13.492
  372    HD3  LYS   7           HD3      LYS   7   0.916   3.726 -12.182
  373    HE2  LYS   7           HE2      LYS   7   1.541   3.908 -15.123
  374    HE3  LYS   7           HE3      LYS   7   1.168   5.270 -14.067
  375    HZ1  LYS   7           HZ1      LYS   7   3.549   3.485 -13.939
  376    HZ2  LYS   7           HZ2      LYS   7   3.143   4.574 -12.702
  377    HZ3  LYS   7           HZ3      LYS   7   3.512   5.153 -14.251
  378    H    ALA   8           H        ALA   8   2.165   0.008  -8.993
  379    HA   ALA   8           HA       ALA   8  -0.143   0.207  -7.503
  380    HB1  ALA   8           HB1      ALA   8   1.534  -1.554  -7.196
  381    HB2  ALA   8           HB2      ALA   8   2.618  -0.384  -6.441
  382    HB3  ALA   8           HB3      ALA   8   1.090  -0.800  -5.665
  383    H    LEU   9           H        LEU   9   2.915   1.973  -6.908
  384    HA   LEU   9           HA       LEU   9   1.672   3.507  -4.807
  385    HB2  LEU   9           HB2      LEU   9   4.342   4.007  -6.132
  386    HB3  LEU   9           HB3      LEU   9   3.775   4.706  -4.632
  387    HG   LEU   9           HG       LEU   9   5.256   3.062  -3.933
  388   HD11  LEU   9          HD11      LEU   9   3.154   2.900  -2.742
  389   HD12  LEU   9          HD12      LEU   9   2.550   1.743  -3.929
  390   HD13  LEU   9          HD13      LEU   9   3.911   1.313  -2.893
  391   HD21  LEU   9          HD21      LEU   9   5.574   1.982  -6.105
  392   HD22  LEU   9          HD22      LEU   9   5.367   0.805  -4.805
  393   HD23  LEU   9          HD23      LEU   9   4.032   1.144  -5.905
  394    H    ASP  10           H        ASP  10   2.484   4.004  -8.200
  395    HA   ASP  10           HA       ASP  10   2.048   6.756  -8.432
  396    HB2  ASP  10           HB2      ASP  10   1.673   4.450 -10.318
  397    HB3  ASP  10           HB3      ASP  10   1.078   6.036 -10.781
  398    H    VAL  11           H        VAL  11  -0.251   4.099  -8.837
  399    HA   VAL  11           HA       VAL  11  -2.430   5.852  -9.378
  400    HB   VAL  11           HB       VAL  11  -3.782   3.906  -9.542
  401   HG11  VAL  11          HG11      VAL  11  -1.009   3.184 -10.484
  402   HG12  VAL  11          HG12      VAL  11  -2.537   2.607 -11.151
  403   HG13  VAL  11          HG13      VAL  11  -2.092   4.309 -11.308
  404   HG21  VAL  11          HG21      VAL  11  -1.563   2.404  -8.150
  405   HG22  VAL  11          HG22      VAL  11  -3.142   2.796  -7.469
  406   HG23  VAL  11          HG23      VAL  11  -3.021   1.683  -8.833
  407    H    MET  12           H        MET  12  -1.069   4.454  -6.519
  408    HA   MET  12           HA       MET  12  -3.170   4.582  -4.730
  409    HB2  MET  12           HB2      MET  12  -0.227   4.888  -4.511
  410    HB3  MET  12           HB3      MET  12  -1.201   5.383  -3.132
  411    HG2  MET  12           HG2      MET  12  -2.132   3.212  -2.921
  412    HG3  MET  12           HG3      MET  12  -1.394   2.688  -4.435
  413    HE1  MET  12           HE1      MET  12  -0.670   0.593  -2.920
  414    HE2  MET  12           HE2      MET  12   0.425   0.723  -1.536
  415    HE3  MET  12           HE3      MET  12  -1.221   1.351  -1.417
  416    H    VAL  13           H        VAL  13  -0.977   7.192  -5.738
  417    HA   VAL  13           HA       VAL  13  -2.625   9.087  -4.271
  418    HB   VAL  13           HB       VAL  13  -0.951  10.796  -5.079
  419   HG11  VAL  13          HG11      VAL  13  -0.873   9.801  -2.843
  420   HG12  VAL  13          HG12      VAL  13   0.107   8.473  -3.470
  421   HG13  VAL  13          HG13      VAL  13   0.751  10.119  -3.467
  422   HG21  VAL  13          HG21      VAL  13   0.531   8.330  -5.965
  423   HG22  VAL  13          HG22      VAL  13  -0.069   9.622  -7.008
  424   HG23  VAL  13          HG23      VAL  13   1.217   9.951  -5.842
  425    H    SER  14           H        SER  14  -2.204   7.971  -7.519
  426    HA   SER  14           HA       SER  14  -3.315  10.262  -8.810
  427    HB2  SER  14           HB2      SER  14  -3.077   7.405  -9.784
  428    HB3  SER  14           HB3      SER  14  -3.498   8.792 -10.790
  429    HG   SER  14           HG       SER  14  -1.056   8.328  -9.408
  430    H    THR  15           H        THR  15  -4.704   6.989  -8.353
  431    HA   THR  15           HA       THR  15  -7.346   7.723  -9.002
  432    HB   THR  15           HB       THR  15  -6.423   5.433  -7.243
  433    HG1  THR  15           HG1      THR  15  -6.932   4.508  -9.613
  434   HG21  THR  15          HG21      THR  15  -8.929   5.740  -8.901
  435   HG22  THR  15          HG22      THR  15  -8.847   5.846  -7.143
  436   HG23  THR  15          HG23      THR  15  -8.474   4.324  -7.951
  437    H    PHE  16           H        PHE  16  -5.481   7.847  -6.095
  438    HA   PHE  16           HA       PHE  16  -7.290   8.288  -4.085
  439    HB2  PHE  16           HB2      PHE  16  -4.841   8.191  -3.839
  440    HB3  PHE  16           HB3      PHE  16  -4.705   9.762  -4.611
  441    HD1  PHE  16           HD2      PHE  16  -6.659   8.284  -1.795
  442    HD2  PHE  16           HD1      PHE  16  -4.208  11.455  -3.207
  443    HE1  PHE  16           HE2      PHE  16  -6.780   9.356   0.414
  444    HE2  PHE  16           HE1      PHE  16  -4.318  12.530  -1.002
  445    HZ   PHE  16           HZ       PHE  16  -5.605  11.479   0.810
  446    H    HIS  17           H        HIS  17  -5.753  10.906  -5.974
  447    HA   HIS  17           HA       HIS  17  -7.540  12.890  -4.988
  448    HB2  HIS  17           HB2      HIS  17  -5.724  12.998  -7.404
  449    HB3  HIS  17           HB3      HIS  17  -6.505  14.381  -6.648
  450    HD1  HIS  17           HD1      HIS  17  -5.855  14.114  -3.753
  451    HD2  HIS  17           HD2      HIS  17  -3.126  13.137  -6.741
  452    HE1  HIS  17           HE1      HIS  17  -3.591  14.226  -2.675
  453    HE2  HIS  17           HE2      HIS  17  -1.956  13.777  -4.529
  454    H    LYS  18           H        LYS  18  -7.649  10.667  -7.573
  455    HA   LYS  18           HA       LYS  18  -9.309  11.926  -9.417
  456    HB2  LYS  18           HB2      LYS  18  -8.128   9.867  -9.895
  457    HB3  LYS  18           HB3      LYS  18  -9.039   9.012  -8.664
  458    HG2  LYS  18           HG2      LYS  18 -11.087   9.334  -9.989
  459    HG3  LYS  18           HG3      LYS  18 -10.124  10.126 -11.242
  460    HD2  LYS  18           HD2      LYS  18  -8.833   8.119 -11.585
  461    HD3  LYS  18           HD3      LYS  18  -9.641   7.323 -10.235
  462    HE2  LYS  18           HE2      LYS  18 -11.781   7.512 -11.462
  463    HE3  LYS  18           HE3      LYS  18 -10.902   8.197 -12.828
  464    HZ1  LYS  18           HZ1      LYS  18 -10.433   5.496 -11.671
  465    HZ2  LYS  18           HZ2      LYS  18  -9.639   6.159 -13.010
  466    HZ3  LYS  18           HZ3      LYS  18 -11.296   5.820 -13.097
  467    H    TYR  19           H        TYR  19 -10.130  10.083  -6.493
  468    HA   TYR  19           HA       TYR  19 -12.956  10.711  -6.988
  469    HB2  TYR  19           HB2      TYR  19 -11.692   8.585  -5.263
  470    HB3  TYR  19           HB3      TYR  19 -13.415   8.947  -5.253
  471    HD1  TYR  19           HD1      TYR  19 -14.816   8.409  -7.188
  472    HD2  TYR  19           HD2      TYR  19 -10.670   7.453  -7.136
  473    HE1  TYR  19           HE1      TYR  19 -15.151   6.912  -9.118
  474    HE2  TYR  19           HE2      TYR  19 -10.984   5.966  -9.064
  475    HH   TYR  19           HH       TYR  19 -13.742   6.007 -10.981
  476    H    SER  20           H        SER  20 -10.404  11.049  -4.544
  477    HA   SER  20           HA       SER  20 -12.097  12.059  -2.517
  478    HB2  SER  20           HB2      SER  20  -9.995  12.990  -1.521
  479    HB3  SER  20           HB3      SER  20  -9.884  11.280  -1.941
  480    HG   SER  20           HG       SER  20  -8.551  11.723  -3.559
  481    H    GLY  21           H        GLY  21 -10.239  13.632  -5.078
  482    HA2  GLY  21           HA2      GLY  21 -10.870  16.294  -4.295
  483    HA3  GLY  21           HA3      GLY  21 -10.206  15.797  -5.842
  484    H    LYS  22           H        LYS  22 -12.951  14.018  -5.351
  485    HA   LYS  22           HA       LYS  22 -14.528  15.623  -7.147
  486    HB2  LYS  22           HB2      LYS  22 -14.517  13.123  -7.167
  487    HB3  LYS  22           HB3      LYS  22 -15.301  13.140  -5.596
  488    HG2  LYS  22           HG2      LYS  22 -17.255  14.195  -6.537
  489    HG3  LYS  22           HG3      LYS  22 -16.461  14.323  -8.109
  490    HD2  LYS  22           HD2      LYS  22 -17.047  11.729  -6.684
  491    HD3  LYS  22           HD3      LYS  22 -18.052  12.421  -7.959
  492    HE2  LYS  22           HE2      LYS  22 -16.067  12.350  -9.464
  493    HE3  LYS  22           HE3      LYS  22 -15.187  11.506  -8.190
  494    HZ1  LYS  22           HZ1      LYS  22 -16.913   9.759  -8.273
  495    HZ2  LYS  22           HZ2      LYS  22 -16.058   9.917  -9.732
  496    HZ3  LYS  22           HZ3      LYS  22 -17.623  10.551  -9.594
  497    H    GLU  23           H        GLU  23 -14.139  15.190  -3.774
  498    HA   GLU  23           HA       GLU  23 -16.515  16.751  -3.114
  499    HB2  GLU  23           HB2      GLU  23 -14.432  15.290  -1.495
  500    HB3  GLU  23           HB3      GLU  23 -15.576  16.388  -0.739
  501    HG2  GLU  23           HG2      GLU  23 -16.358  14.008  -2.399
  502    HG3  GLU  23           HG3      GLU  23 -16.240  14.008  -0.640
  503    H    GLY  24           H        GLY  24 -15.777  18.375  -1.104
  504    HA2  GLY  24           HA2      GLY  24 -14.361  20.487  -2.335
  505    HA3  GLY  24           HA3      GLY  24 -14.801  20.399  -0.635
  506    H    ASP  25           H        ASP  25 -13.389  17.994  -0.062
  507    HA   ASP  25           HA       ASP  25 -10.685  19.008   0.137
  508    HB2  ASP  25           HB2      ASP  25 -11.978  17.713   1.964
  509    HB3  ASP  25           HB3      ASP  25 -11.621  16.274   1.011
  510    H    LYS  26           H        LYS  26  -8.865  17.341  -0.394
  511    HA   LYS  26           HA       LYS  26  -9.552  15.882  -2.840
  512    HB2  LYS  26           HB2      LYS  26  -7.400  16.828  -3.861
  513    HB3  LYS  26           HB3      LYS  26  -8.816  17.862  -3.811
  514    HG2  LYS  26           HG2      LYS  26  -7.209  19.319  -3.112
  515    HG3  LYS  26           HG3      LYS  26  -7.765  18.690  -1.564
  516    HD2  LYS  26           HD2      LYS  26  -5.407  18.684  -1.460
  517    HD3  LYS  26           HD3      LYS  26  -5.882  17.005  -1.728
  518    HE2  LYS  26           HE2      LYS  26  -5.281  17.103  -4.018
  519    HE3  LYS  26           HE3      LYS  26  -5.130  18.859  -3.975
  520    HZ1  LYS  26           HZ1      LYS  26  -3.402  16.998  -2.445
  521    HZ2  LYS  26           HZ2      LYS  26  -3.197  18.670  -2.617
  522    HZ3  LYS  26           HZ3      LYS  26  -2.988  17.651  -3.956
  523    H    PHE  27           H        PHE  27  -8.307  15.606   0.115
  524    HA   PHE  27           HA       PHE  27  -6.785  13.253  -0.757
  525    HB2  PHE  27           HB2      PHE  27  -5.285  13.531   1.228
  526    HB3  PHE  27           HB3      PHE  27  -5.083  14.761  -0.009
  527    HD1  PHE  27           HD2      PHE  27  -6.654  14.102   3.286
  528    HD2  PHE  27           HD1      PHE  27  -5.263  17.016   0.508
  529    HE1  PHE  27           HE2      PHE  27  -6.933  15.859   4.991
  530    HE2  PHE  27           HE1      PHE  27  -5.544  18.775   2.206
  531    HZ   PHE  27           HZ       PHE  27  -6.379  18.196   4.450
  532    H    LYS  28           H        LYS  28  -9.537  14.109   0.421
  533    HA   LYS  28           HA       LYS  28  -9.598  11.993   2.467
  534    HB2  LYS  28           HB2      LYS  28  -9.809  14.302   3.417
  535    HB3  LYS  28           HB3      LYS  28 -11.242  14.545   2.431
  536    HG2  LYS  28           HG2      LYS  28 -11.997  14.024   4.596
  537    HG3  LYS  28           HG3      LYS  28 -12.255  12.575   3.622
  538    HD2  LYS  28           HD2      LYS  28 -11.330  11.755   5.593
  539    HD3  LYS  28           HD3      LYS  28  -9.958  11.833   4.486
  540    HE2  LYS  28           HE2      LYS  28  -9.257  12.693   6.605
  541    HE3  LYS  28           HE3      LYS  28  -9.373  14.043   5.477
  542    HZ1  LYS  28           HZ1      LYS  28 -10.330  14.602   7.620
  543    HZ2  LYS  28           HZ2      LYS  28 -11.420  13.303   7.509
  544    HZ3  LYS  28           HZ3      LYS  28 -11.528  14.597   6.423
  545    H    LEU  29           H        LEU  29 -10.808  10.343   1.872
  546    HA   LEU  29           HA       LEU  29 -12.969  10.814  -0.085
  547    HB2  LEU  29           HB2      LEU  29 -11.550   8.222   0.537
  548    HB3  LEU  29           HB3      LEU  29 -12.821   8.431  -0.647
  549    HG   LEU  29           HG       LEU  29 -11.127  10.167  -1.684
  550   HD11  LEU  29          HD11      LEU  29  -9.337   8.293  -0.144
  551   HD12  LEU  29          HD12      LEU  29  -8.803   9.384  -1.424
  552   HD13  LEU  29          HD13      LEU  29  -9.473  10.039   0.071
  553   HD21  LEU  29          HD21      LEU  29 -11.986   8.196  -2.816
  554   HD22  LEU  29          HD22      LEU  29 -10.254   8.365  -3.098
  555   HD23  LEU  29          HD23      LEU  29 -10.847   7.175  -1.939
  556    H    ASN  30           H        ASN  30 -14.950  10.795   0.740
  557    HA   ASN  30           HA       ASN  30 -15.542   9.395   3.201
  558    HB2  ASN  30           HB2      ASN  30 -17.784  10.293   2.979
  559    HB3  ASN  30           HB3      ASN  30 -16.625  11.574   2.648
  560   HD21  ASN  30          HD21      ASN  30 -16.410  12.358   0.565
  561   HD22  ASN  30          HD22      ASN  30 -17.576  12.023  -0.678
  562    H    LYS  31           H        LYS  31 -17.894   8.225   2.952
  563    HA   LYS  31           HA       LYS  31 -17.457   5.716   1.969
  564    HB2  LYS  31           HB2      LYS  31 -20.094   7.171   2.177
  565    HB3  LYS  31           HB3      LYS  31 -19.938   5.440   1.927
  566    HG2  LYS  31           HG2      LYS  31 -18.795   5.231   4.080
  567    HG3  LYS  31           HG3      LYS  31 -18.959   6.974   4.324
  568    HD2  LYS  31           HD2      LYS  31 -21.384   6.773   4.268
  569    HD3  LYS  31           HD3      LYS  31 -21.247   5.040   3.963
  570    HE2  LYS  31           HE2      LYS  31 -20.150   4.748   6.129
  571    HE3  LYS  31           HE3      LYS  31 -20.278   6.482   6.429
  572    HZ1  LYS  31           HZ1      LYS  31 -22.691   6.274   6.337
  573    HZ2  LYS  31           HZ2      LYS  31 -22.042   5.280   7.544
  574    HZ3  LYS  31           HZ3      LYS  31 -22.557   4.602   6.078
  575    H    SER  32           H        SER  32 -19.049   8.370   0.210
  576    HA   SER  32           HA       SER  32 -19.839   6.782  -1.988
  577    HB2  SER  32           HB2      SER  32 -20.866   8.971  -1.397
  578    HB3  SER  32           HB3      SER  32 -19.391   9.776  -1.928
  579    HG   SER  32           HG       SER  32 -19.784   9.167  -4.011
  580    H    GLU  33           H        GLU  33 -16.956   8.754  -1.393
  581    HA   GLU  33           HA       GLU  33 -16.047   8.663  -4.090
  582    HB2  GLU  33           HB2      GLU  33 -14.327   9.135  -1.654
  583    HB3  GLU  33           HB3      GLU  33 -14.034   9.683  -3.302
  584    HG2  GLU  33           HG2      GLU  33 -15.826  10.796  -1.216
  585    HG3  GLU  33           HG3      GLU  33 -14.743  11.618  -2.333
  586    H    LEU  34           H        LEU  34 -15.345   6.885  -1.142
  587    HA   LEU  34           HA       LEU  34 -13.344   5.211  -2.217
  588    HB2  LEU  34           HB2      LEU  34 -15.082   5.170   0.192
  589    HB3  LEU  34           HB3      LEU  34 -14.265   3.688  -0.263
  590    HG   LEU  34           HG       LEU  34 -12.839   6.298   0.199
  591   HD11  LEU  34          HD11      LEU  34 -12.149   5.264   2.335
  592   HD12  LEU  34          HD12      LEU  34 -13.876   5.618   2.246
  593   HD13  LEU  34          HD13      LEU  34 -13.303   3.961   2.042
  594   HD21  LEU  34          HD21      LEU  34 -10.858   4.926   0.232
  595   HD22  LEU  34          HD22      LEU  34 -11.824   3.464   0.024
  596   HD23  LEU  34          HD23      LEU  34 -11.738   4.655  -1.273
  597    H    LYS  35           H        LYS  35 -16.863   4.819  -1.874
  598    HA   LYS  35           HA       LYS  35 -16.953   2.162  -2.719
  599    HB2  LYS  35           HB2      LYS  35 -18.877   3.457  -1.720
  600    HB3  LYS  35           HB3      LYS  35 -19.105   4.198  -3.301
  601    HG2  LYS  35           HG2      LYS  35 -19.676   2.145  -4.300
  602    HG3  LYS  35           HG3      LYS  35 -19.089   1.220  -2.919
  603    HD2  LYS  35           HD2      LYS  35 -21.458   1.204  -2.811
  604    HD3  LYS  35           HD3      LYS  35 -20.898   2.311  -1.556
  605    HE2  LYS  35           HE2      LYS  35 -21.347   4.204  -3.039
  606    HE3  LYS  35           HE3      LYS  35 -21.897   3.078  -4.283
  607    HZ1  LYS  35           HZ1      LYS  35 -23.139   3.374  -1.598
  608    HZ2  LYS  35           HZ2      LYS  35 -23.694   2.393  -2.872
  609    HZ3  LYS  35           HZ3      LYS  35 -23.731   4.076  -3.027
  610    H    GLU  36           H        GLU  36 -17.313   5.138  -4.665
  611    HA   GLU  36           HA       GLU  36 -17.498   3.874  -7.145
  612    HB2  GLU  36           HB2      GLU  36 -16.558   6.563  -6.269
  613    HB3  GLU  36           HB3      GLU  36 -16.229   6.053  -7.919
  614    HG2  GLU  36           HG2      GLU  36 -18.613   5.629  -8.235
  615    HG3  GLU  36           HG3      GLU  36 -18.929   6.250  -6.614
  616    H    LEU  37           H        LEU  37 -14.623   4.998  -5.410
  617    HA   LEU  37           HA       LEU  37 -12.626   4.312  -7.169
  618    HB2  LEU  37           HB2      LEU  37 -12.487   5.425  -4.883
  619    HB3  LEU  37           HB3      LEU  37 -12.487   3.808  -4.207
  620    HG   LEU  37           HG       LEU  37 -10.452   4.157  -6.266
  621   HD11  LEU  37          HD11      LEU  37  -9.007   5.595  -4.912
  622   HD12  LEU  37          HD12      LEU  37 -10.466   6.444  -5.427
  623   HD13  LEU  37          HD13      LEU  37 -10.329   5.848  -3.772
  624   HD21  LEU  37          HD21      LEU  37 -10.561   2.256  -4.726
  625   HD22  LEU  37          HD22      LEU  37  -9.055   3.154  -4.532
  626   HD23  LEU  37          HD23      LEU  37 -10.357   3.350  -3.358
  627    H    LEU  38           H        LEU  38 -14.013   2.215  -4.658
  628    HA   LEU  38           HA       LEU  38 -12.560  -0.064  -5.519
  629    HB2  LEU  38           HB2      LEU  38 -14.862   0.341  -3.645
  630    HB3  LEU  38           HB3      LEU  38 -14.316  -1.273  -4.059
  631    HG   LEU  38           HG       LEU  38 -11.996   0.127  -3.328
  632   HD11  LEU  38          HD11      LEU  38 -12.543   0.892  -1.056
  633   HD12  LEU  38          HD12      LEU  38 -13.321   1.865  -2.304
  634   HD13  LEU  38          HD13      LEU  38 -14.255   0.665  -1.411
  635   HD21  LEU  38          HD21      LEU  38 -11.986  -1.435  -1.444
  636   HD22  LEU  38          HD22      LEU  38 -13.671  -1.838  -1.772
  637   HD23  LEU  38          HD23      LEU  38 -12.423  -2.235  -2.954
  638    H    THR  39           H        THR  39 -15.879   1.036  -6.148
  639    HA   THR  39           HA       THR  39 -16.775  -1.319  -7.411
  640    HB   THR  39           HB       THR  39 -18.476   0.080  -8.567
  641    HG1  THR  39           HG1      THR  39 -16.779   2.110  -7.677
  642   HG21  THR  39          HG21      THR  39 -18.135   0.701  -5.636
  643   HG22  THR  39          HG22      THR  39 -18.902  -0.739  -6.306
  644   HG23  THR  39          HG23      THR  39 -19.632   0.847  -6.555
  645    H    ARG  40           H        ARG  40 -14.901   1.362  -8.587
  646    HA   ARG  40           HA       ARG  40 -15.191   0.594 -11.357
  647    HB2  ARG  40           HB2      ARG  40 -13.499   2.714 -10.027
  648    HB3  ARG  40           HB3      ARG  40 -13.643   2.494 -11.763
  649    HG2  ARG  40           HG2      ARG  40 -15.876   3.231  -9.881
  650    HG3  ARG  40           HG3      ARG  40 -15.037   4.322 -10.985
  651    HD2  ARG  40           HD2      ARG  40 -16.837   2.011 -11.668
  652    HD3  ARG  40           HD3      ARG  40 -17.076   3.724 -12.024
  653    HE   ARG  40           HE       ARG  40 -14.719   3.049 -13.268
  654   HH11  ARG  40          HH12      ARG  40 -18.062   2.000 -13.456
  655   HH12  ARG  40          HH11      ARG  40 -17.930   1.479 -15.108
  656   HH21  ARG  40          HH22      ARG  40 -14.550   2.376 -15.419
  657   HH22  ARG  40          HH21      ARG  40 -15.927   1.694 -16.234
  658    H    GLU  41           H        GLU  41 -12.432   0.975  -9.123
  659    HA   GLU  41           HA       GLU  41 -10.846  -0.575 -11.028
  660    HB2  GLU  41           HB2      GLU  41 -10.111   1.488  -8.976
  661    HB3  GLU  41           HB3      GLU  41  -8.901   0.459  -9.738
  662    HG2  GLU  41           HG2      GLU  41  -9.397   1.304 -11.883
  663    HG3  GLU  41           HG3      GLU  41 -10.848   2.118 -11.313
  664    H    LEU  42           H        LEU  42 -12.325  -1.051  -8.018
  665    HA   LEU  42           HA       LEU  42 -10.476  -3.305  -7.533
  666    HB2  LEU  42           HB2      LEU  42 -11.926  -1.717  -5.410
  667    HB3  LEU  42           HB3      LEU  42 -10.900  -3.105  -5.126
  668    HG   LEU  42           HG       LEU  42  -9.038  -1.664  -6.213
  669   HD11  LEU  42          HD11      LEU  42 -10.428   0.139  -7.041
  670   HD12  LEU  42          HD12      LEU  42 -11.025   0.480  -5.415
  671   HD13  LEU  42          HD13      LEU  42  -9.321   0.750  -5.807
  672   HD21  LEU  42          HD21      LEU  42 -10.147  -1.032  -3.482
  673   HD22  LEU  42          HD22      LEU  42  -9.078  -2.374  -3.886
  674   HD23  LEU  42          HD23      LEU  42  -8.500  -0.714  -4.027
  675    HA   PRO  43           HA       PRO  43 -15.142  -4.354  -7.802
  676    HB2  PRO  43           HB2      PRO  43 -14.576  -5.925 -10.199
  677    HB3  PRO  43           HB3      PRO  43 -15.749  -4.626  -9.967
  678    HG2  PRO  43           HG2      PRO  43 -13.548  -4.326 -11.499
  679    HG3  PRO  43           HG3      PRO  43 -14.255  -2.988 -10.576
  680    HD2  PRO  43           HD2      PRO  43 -11.879  -4.692  -9.921
  681    HD3  PRO  43           HD3      PRO  43 -12.086  -2.935  -9.750
  682    H    SER  44           H        SER  44 -12.307  -6.302  -8.476
  683    HA   SER  44           HA       SER  44 -13.423  -8.816  -7.855
  684    HB2  SER  44           HB2      SER  44 -10.910  -9.379  -7.501
  685    HB3  SER  44           HB3      SER  44 -11.433  -8.864  -9.106
  686    HG   SER  44           HG       SER  44  -9.522  -7.779  -8.345
  687    H    PHE  45           H        PHE  45 -12.428  -6.161  -5.954
  688    HA   PHE  45           HA       PHE  45 -12.248  -7.782  -3.524
  689    HB2  PHE  45           HB2      PHE  45 -11.604  -4.854  -3.925
  690    HB3  PHE  45           HB3      PHE  45 -11.284  -5.804  -2.475
  691    HD1  PHE  45           HD1      PHE  45  -9.802  -7.925  -2.836
  692    HD2  PHE  45           HD2      PHE  45  -9.935  -4.599  -5.485
  693    HE1  PHE  45           HE1      PHE  45  -7.605  -8.562  -3.739
  694    HE2  PHE  45           HE2      PHE  45  -7.739  -5.228  -6.395
  695    HZ   PHE  45           HZ       PHE  45  -6.570  -7.214  -5.522
  696    H    LEU  46           H        LEU  46 -14.686  -6.621  -5.187
  697    HA   LEU  46           HA       LEU  46 -16.137  -5.815  -2.753
  698    HB2  LEU  46           HB2      LEU  46 -16.729  -5.013  -5.595
  699    HB3  LEU  46           HB3      LEU  46 -17.734  -4.625  -4.201
  700    HG   LEU  46           HG       LEU  46 -14.937  -3.637  -4.755
  701   HD11  LEU  46          HD11      LEU  46 -16.693  -2.539  -6.027
  702   HD12  LEU  46          HD12      LEU  46 -17.600  -2.245  -4.543
  703   HD13  LEU  46          HD13      LEU  46 -16.042  -1.457  -4.796
  704   HD21  LEU  46          HD21      LEU  46 -16.699  -3.242  -2.337
  705   HD22  LEU  46          HD22      LEU  46 -15.147  -4.077  -2.385
  706   HD23  LEU  46          HD23      LEU  46 -15.220  -2.336  -2.672
  707    H    GLY  47           H        GLY  47 -16.045  -7.898  -5.513
  708    HA2  GLY  47           HA2      GLY  47 -17.205  -9.861  -5.887
  709    HA3  GLY  47           HA3      GLY  47 -18.046  -9.604  -4.364
  710    H    LYS  48           H        LYS  48 -18.159  -6.908  -6.376
  711    HA   LYS  48           HA       LYS  48 -19.650  -5.976  -7.808
  712    HB2  LYS  48           HB2      LYS  48 -20.521  -8.834  -8.201
  713    HB3  LYS  48           HB3      LYS  48 -21.161  -7.481  -9.116
  714    HG2  LYS  48           HG2      LYS  48 -18.255  -8.261  -9.040
  715    HG3  LYS  48           HG3      LYS  48 -19.393  -8.751 -10.296
  716    HD2  LYS  48           HD2      LYS  48 -19.789  -6.395 -10.847
  717    HD3  LYS  48           HD3      LYS  48 -18.637  -5.913  -9.600
  718    HE2  LYS  48           HE2      LYS  48 -16.847  -7.054 -10.777
  719    HE3  LYS  48           HE3      LYS  48 -17.985  -7.635 -11.991
  720    HZ1  LYS  48           HZ1      LYS  48 -18.401  -5.361 -12.659
  721    HZ2  LYS  48           HZ2      LYS  48 -16.743  -5.702 -12.758
  722    HZ3  LYS  48           HZ3      LYS  48 -17.343  -4.780 -11.467
  723    H    ARG  49           H        ARG  49 -20.542  -7.398  -4.970
  724    HA   ARG  49           HA       ARG  49 -23.314  -6.429  -5.190
  725    HB2  ARG  49           HB2      ARG  49 -23.913  -8.079  -3.463
  726    HB3  ARG  49           HB3      ARG  49 -23.269  -8.838  -4.912
  727    HG2  ARG  49           HG2      ARG  49 -21.095  -9.086  -3.795
  728    HG3  ARG  49           HG3      ARG  49 -21.781  -8.372  -2.335
  729    HD2  ARG  49           HD2      ARG  49 -21.777 -10.776  -2.128
  730    HD3  ARG  49           HD3      ARG  49 -23.440 -10.201  -2.264
  731    HE   ARG  49           HE       ARG  49 -22.468 -10.866  -4.824
  732   HH11  ARG  49          HH12      ARG  49 -23.447 -12.398  -1.832
  733   HH12  ARG  49          HH11      ARG  49 -23.926 -13.877  -2.604
  734   HH21  ARG  49          HH22      ARG  49 -23.117 -12.791  -5.837
  735   HH22  ARG  49          HH21      ARG  49 -23.775 -14.092  -4.887
  736    H    THR  50           H        THR  50 -21.214  -4.722  -4.565
  737    HA   THR  50           HA       THR  50 -21.214  -4.460  -1.681
  738    HB   THR  50           HB       THR  50 -19.725  -2.380  -2.476
  739    HG1  THR  50           HG1      THR  50 -19.719  -2.631  -4.633
  740   HG21  THR  50          HG21      THR  50 -18.853  -5.270  -2.333
  741   HG22  THR  50          HG22      THR  50 -19.072  -4.186  -0.959
  742   HG23  THR  50          HG23      THR  50 -17.804  -3.867  -2.143
  743    H    ASP  51           H        ASP  51 -22.780  -3.486  -0.799
  744    HA   ASP  51           HA       ASP  51 -23.704  -0.903  -1.877
  745    HB2  ASP  51           HB2      ASP  51 -25.027  -2.949  -0.108
  746    HB3  ASP  51           HB3      ASP  51 -25.543  -1.268  -0.062
  747    H    GLU  52           H        GLU  52 -24.638   0.267   0.395
  748    HA   GLU  52           HA       GLU  52 -22.366   1.182   1.754
  749    HB2  GLU  52           HB2      GLU  52 -25.256   1.218   2.648
  750    HB3  GLU  52           HB3      GLU  52 -23.964   2.176   3.358
  751    HG2  GLU  52           HG2      GLU  52 -24.936   2.375   0.516
  752    HG3  GLU  52           HG3      GLU  52 -25.345   3.481   1.826
  753    H    ALA  53           H        ALA  53 -24.284  -1.627   2.179
  754    HA   ALA  53           HA       ALA  53 -23.859  -2.235   4.871
  755    HB1  ALA  53           HB1      ALA  53 -24.170  -4.134   2.551
  756    HB2  ALA  53           HB2      ALA  53 -24.391  -4.532   4.255
  757    HB3  ALA  53           HB3      ALA  53 -25.484  -3.395   3.466
  758    H    ALA  54           H        ALA  54 -22.092  -3.631   2.066
  759    HA   ALA  54           HA       ALA  54 -20.108  -4.836   3.674
  760    HB1  ALA  54           HB1      ALA  54 -20.005  -4.085   0.743
  761    HB2  ALA  54           HB2      ALA  54 -18.809  -5.095   1.570
  762    HB3  ALA  54           HB3      ALA  54 -20.483  -5.644   1.415
  763    H    PHE  55           H        PHE  55 -20.363  -1.687   2.153
  764    HA   PHE  55           HA       PHE  55 -17.634  -0.996   2.515
  765    HB2  PHE  55           HB2      PHE  55 -20.091   0.438   1.667
  766    HB3  PHE  55           HB3      PHE  55 -18.724   1.405   2.215
  767    HD1  PHE  55           HD2      PHE  55 -19.884  -0.989  -0.310
  768    HD2  PHE  55           HD1      PHE  55 -16.702   1.526   0.967
  769    HE1  PHE  55           HE2      PHE  55 -18.782  -1.285  -2.487
  770    HE2  PHE  55           HE1      PHE  55 -15.593   1.232  -1.205
  771    HZ   PHE  55           HZ       PHE  55 -16.633  -0.175  -2.937
  772    H    GLN  56           H        GLN  56 -20.284  -1.054   4.675
  773    HA   GLN  56           HA       GLN  56 -19.533   1.020   6.418
  774    HB2  GLN  56           HB2      GLN  56 -21.715  -0.262   6.429
  775    HB3  GLN  56           HB3      GLN  56 -20.857  -1.564   7.245
  776    HG2  GLN  56           HG2      GLN  56 -20.277   0.008   9.060
  777    HG3  GLN  56           HG3      GLN  56 -21.243   1.244   8.256
  778   HE21  GLN  56          HE21      GLN  56 -22.082  -2.148   8.379
  779   HE22  GLN  56          HE22      GLN  56 -23.467  -1.967   9.404
  780    H    LYS  57           H        LYS  57 -18.533  -2.385   6.247
  781    HA   LYS  57           HA       LYS  57 -16.984  -2.205   8.660
  782    HB2  LYS  57           HB2      LYS  57 -17.828  -4.299   6.907
  783    HB3  LYS  57           HB3      LYS  57 -16.082  -4.386   7.081
  784    HG2  LYS  57           HG2      LYS  57 -18.024  -4.319   9.382
  785    HG3  LYS  57           HG3      LYS  57 -17.340  -5.787   8.692
  786    HD2  LYS  57           HD2      LYS  57 -15.864  -5.488  10.403
  787    HD3  LYS  57           HD3      LYS  57 -15.053  -4.489   9.195
  788    HE2  LYS  57           HE2      LYS  57 -15.930  -2.493  10.145
  789    HE3  LYS  57           HE3      LYS  57 -17.041  -3.389  11.177
  790    HZ1  LYS  57           HZ1      LYS  57 -15.166  -2.603  12.443
  791    HZ2  LYS  57           HZ2      LYS  57 -14.075  -3.359  11.389
  792    HZ3  LYS  57           HZ3      LYS  57 -15.108  -4.294  12.355
  793    H    LEU  58           H        LEU  58 -16.408  -2.017   5.215
  794    HA   LEU  58           HA       LEU  58 -13.606  -1.944   5.221
  795    HB2  LEU  58           HB2      LEU  58 -14.772  -2.178   3.151
  796    HB3  LEU  58           HB3      LEU  58 -15.656  -0.687   3.404
  797    HG   LEU  58           HG       LEU  58 -13.671   0.626   3.034
  798   HD11  LEU  58          HD11      LEU  58 -11.538  -0.454   2.401
  799   HD12  LEU  58          HD12      LEU  58 -12.016  -0.771   4.070
  800   HD13  LEU  58          HD13      LEU  58 -12.230  -2.014   2.839
  801   HD21  LEU  58          HD21      LEU  58 -14.836   0.108   1.045
  802   HD22  LEU  58          HD22      LEU  58 -13.125  -0.117   0.692
  803   HD23  LEU  58          HD23      LEU  58 -14.160  -1.517   0.979
  804    H    MET  59           H        MET  59 -15.693   0.857   4.731
  805    HA   MET  59           HA       MET  59 -14.202   2.975   5.326
  806    HB2  MET  59           HB2      MET  59 -16.810   2.637   5.006
  807    HB3  MET  59           HB3      MET  59 -16.819   2.806   6.757
  808    HG2  MET  59           HG2      MET  59 -17.223   4.940   5.836
  809    HG3  MET  59           HG3      MET  59 -15.574   4.947   6.468
  810    HE1  MET  59           HE1      MET  59 -14.237   6.439   5.391
  811    HE2  MET  59           HE2      MET  59 -14.231   6.903   3.685
  812    HE3  MET  59           HE3      MET  59 -15.615   7.309   4.706
  813    H    SER  60           H        SER  60 -15.745   0.969   7.799
  814    HA   SER  60           HA       SER  60 -14.934   2.482  10.030
  815    HB2  SER  60           HB2      SER  60 -16.790   0.803   9.992
  816    HB3  SER  60           HB3      SER  60 -15.563  -0.466   9.929
  817    HG   SER  60           HG       SER  60 -15.639   1.491  11.985
  818    H    ASN  61           H        ASN  61 -13.597  -0.532   8.671
  819    HA   ASN  61           HA       ASN  61 -11.499  -0.776  10.585
  820    HB2  ASN  61           HB2      ASN  61 -11.937  -1.943   7.844
  821    HB3  ASN  61           HB3      ASN  61 -10.514  -2.311   8.807
  822   HD21  ASN  61          HD21      ASN  61 -12.462  -4.141   7.856
  823   HD22  ASN  61          HD22      ASN  61 -13.184  -4.885   9.241
  824    H    LEU  62           H        LEU  62 -11.862   0.613   7.441
  825    HA   LEU  62           HA       LEU  62  -9.232   1.288   6.843
  826    HB2  LEU  62           HB2      LEU  62 -11.694   1.614   5.687
  827    HB3  LEU  62           HB3      LEU  62 -11.231   3.268   6.049
  828    HG   LEU  62           HG       LEU  62  -9.299   3.131   4.710
  829   HD11  LEU  62          HD11      LEU  62  -8.769   0.901   3.605
  830   HD12  LEU  62          HD12      LEU  62  -8.394   1.062   5.322
  831   HD13  LEU  62          HD13      LEU  62  -9.838   0.190   4.812
  832   HD21  LEU  62          HD21      LEU  62 -11.420   3.353   3.461
  833   HD22  LEU  62          HD22      LEU  62 -10.171   2.526   2.528
  834   HD23  LEU  62          HD23      LEU  62 -11.469   1.601   3.281
  835    H    ASP  63           H        ASP  63 -11.725   3.347   8.315
  836    HA   ASP  63           HA       ASP  63  -9.859   5.488   8.704
  837    HB2  ASP  63           HB2      ASP  63 -12.431   5.598   8.296
  838    HB3  ASP  63           HB3      ASP  63 -12.539   5.347  10.036
  839    H    SER  64           H        SER  64  -8.285   5.085  10.141
  840    HA   SER  64           HA       SER  64  -8.817   3.475  12.475
  841    HB2  SER  64           HB2      SER  64  -6.459   3.424  12.781
  842    HB3  SER  64           HB3      SER  64  -6.719   3.354  11.039
  843    HG   SER  64           HG       SER  64  -6.317   5.631  10.979
  844    H    ASN  65           H        ASN  65  -8.743   6.805  11.691
  845    HA   ASN  65           HA       ASN  65  -8.389   7.572  14.501
  846    HB2  ASN  65           HB2      ASN  65  -8.080   9.829  13.739
  847    HB3  ASN  65           HB3      ASN  65  -7.097   8.783  12.719
  848   HD21  ASN  65          HD21      ASN  65  -7.765   8.391  10.571
  849   HD22  ASN  65          HD22      ASN  65  -8.869   9.458   9.776
  850    H    ARG  66           H        ARG  66 -10.768   6.730  12.403
  851    HA   ARG  66           HA       ARG  66 -13.010   6.576  12.626
  852    HB2  ARG  66           HB2      ARG  66 -12.758   7.974  15.288
  853    HB3  ARG  66           HB3      ARG  66 -14.065   6.933  14.744
  854    HG2  ARG  66           HG2      ARG  66 -11.247   6.105  15.396
  855    HG3  ARG  66           HG3      ARG  66 -12.701   5.757  16.327
  856    HD2  ARG  66           HD2      ARG  66 -13.563   4.462  14.387
  857    HD3  ARG  66           HD3      ARG  66 -12.017   4.725  13.577
  858    HE   ARG  66           HE       ARG  66 -11.908   3.514  16.221
  859   HH11  ARG  66          HH12      ARG  66 -11.801   3.027  12.743
  860   HH12  ARG  66          HH11      ARG  66 -11.109   1.444  12.868
  861   HH21  ARG  66          HH22      ARG  66 -10.967   1.445  16.379
  862   HH22  ARG  66          HH21      ARG  66 -10.618   0.541  14.935
  863    H    ASP  67           H        ASP  67 -12.104   8.594  11.085
  864    HA   ASP  67           HA       ASP  67 -13.597  11.011  11.781
  865    HB2  ASP  67           HB2      ASP  67 -11.296  11.070  10.725
  866    HB3  ASP  67           HB3      ASP  67 -12.029  10.430   9.257
  867    H    ASN  68           H        ASN  68 -13.954   8.132  10.007
  868    HA   ASN  68           HA       ASN  68 -15.578   7.233   8.714
  869    HB2  ASN  68           HB2      ASN  68 -17.092   9.707   9.535
  870    HB3  ASN  68           HB3      ASN  68 -17.764   8.529   8.412
  871   HD21  ASN  68          HD21      ASN  68 -18.697   9.282  11.059
  872   HD22  ASN  68          HD22      ASN  68 -18.698   7.827  12.002
  873    H    GLU  69           H        GLU  69 -13.582   9.390   7.965
  874    HA   GLU  69           HA       GLU  69 -14.188   9.240   5.135
  875    HB2  GLU  69           HB2      GLU  69 -13.688  11.827   6.602
  876    HB3  GLU  69           HB3      GLU  69 -13.294  11.647   4.899
  877    HG2  GLU  69           HG2      GLU  69 -15.676  11.018   4.499
  878    HG3  GLU  69           HG3      GLU  69 -16.005  11.440   6.180
  879    H    VAL  70           H        VAL  70 -12.443   8.411   4.209
  880    HA   VAL  70           HA       VAL  70 -10.229   7.821   5.909
  881    HB   VAL  70           HB       VAL  70 -10.716   7.145   3.019
  882   HG11  VAL  70          HG11      VAL  70  -8.333   7.145   3.461
  883   HG12  VAL  70          HG12      VAL  70  -8.586   6.122   4.876
  884   HG13  VAL  70          HG13      VAL  70  -8.934   5.499   3.263
  885   HG21  VAL  70          HG21      VAL  70 -12.303   6.153   4.573
  886   HG22  VAL  70          HG22      VAL  70 -11.224   4.926   3.910
  887   HG23  VAL  70          HG23      VAL  70 -10.970   5.530   5.547
  888    H    ASP  71           H        ASP  71  -8.773   9.232   6.330
  889    HA   ASP  71           HA       ASP  71  -7.724  11.189   4.546
  890    HB2  ASP  71           HB2      ASP  71  -7.561  11.491   6.956
  891    HB3  ASP  71           HB3      ASP  71  -6.670   9.980   7.120
  892    H    PHE  72           H        PHE  72  -5.365  11.121   3.815
  893    HA   PHE  72           HA       PHE  72  -5.026   8.951   2.118
  894    HB2  PHE  72           HB2      PHE  72  -3.929  11.161   1.799
  895    HB3  PHE  72           HB3      PHE  72  -2.787  10.730   3.076
  896    HD1  PHE  72           HD1      PHE  72  -4.254   8.618   0.426
  897    HD2  PHE  72           HD2      PHE  72  -0.732  10.437   1.969
  898    HE1  PHE  72           HE1      PHE  72  -2.919   7.369  -1.195
  899    HE2  PHE  72           HE2      PHE  72   0.605   9.213   0.314
  900    HZ   PHE  72           HZ       PHE  72  -0.455   7.651  -1.215
  901    H    GLN  73           H        GLN  73  -3.758   9.433   5.368
  902    HA   GLN  73           HA       GLN  73  -1.880   7.328   5.287
  903    HB2  GLN  73           HB2      GLN  73  -3.354   8.446   7.674
  904    HB3  GLN  73           HB3      GLN  73  -1.953   7.387   7.751
  905    HG2  GLN  73           HG2      GLN  73  -0.874   9.268   6.259
  906    HG3  GLN  73           HG3      GLN  73  -2.131  10.255   7.005
  907   HE21  GLN  73          HE21      GLN  73  -0.577   7.539   8.549
  908   HE22  GLN  73          HE22      GLN  73   0.275   8.446   9.744
  909    H    GLU  74           H        GLU  74  -5.334   7.398   5.994
  910    HA   GLU  74           HA       GLU  74  -5.379   4.645   6.864
  911    HB2  GLU  74           HB2      GLU  74  -7.891   5.924   5.950
  912    HB3  GLU  74           HB3      GLU  74  -7.570   5.010   7.413
  913    HG2  GLU  74           HG2      GLU  74  -6.733   7.859   6.958
  914    HG3  GLU  74           HG3      GLU  74  -8.189   7.369   7.812
  915    H    TYR  75           H        TYR  75  -5.497   6.434   3.982
  916    HA   TYR  75           HA       TYR  75  -6.836   4.515   2.329
  917    HB2  TYR  75           HB2      TYR  75  -6.799   6.981   1.915
  918    HB3  TYR  75           HB3      TYR  75  -5.085   6.863   1.552
  919    HD1  TYR  75           HD2      TYR  75  -4.407   5.344  -0.397
  920    HD2  TYR  75           HD1      TYR  75  -8.391   6.716   0.244
  921    HE1  TYR  75           HE2      TYR  75  -4.928   4.871  -2.751
  922    HE2  TYR  75           HE1      TYR  75  -8.919   6.242  -2.125
  923    HH   TYR  75           HH       TYR  75  -6.883   4.414  -4.143
  924    H    CYS  76           H        CYS  76  -3.520   5.255   3.188
  925    HA   CYS  76           HA       CYS  76  -2.319   3.551   1.247
  926    HB2  CYS  76           HB2      CYS  76  -1.248   4.611   3.848
  927    HB3  CYS  76           HB3      CYS  76  -0.289   3.811   2.611
  928    HG   CYS  76           HG       CYS  76  -1.830   6.136   1.038
  929    H    VAL  77           H        VAL  77  -3.129   3.126   4.667
  930    HA   VAL  77           HA       VAL  77  -2.246   0.423   4.690
  931    HB   VAL  77           HB       VAL  77  -3.455   0.216   6.824
  932   HG11  VAL  77          HG11      VAL  77  -2.115   1.869   8.039
  933   HG12  VAL  77          HG12      VAL  77  -1.188   1.085   6.760
  934   HG13  VAL  77          HG13      VAL  77  -1.806   2.721   6.523
  935   HG21  VAL  77          HG21      VAL  77  -5.381   1.636   6.337
  936   HG22  VAL  77          HG22      VAL  77  -4.556   2.178   7.799
  937   HG23  VAL  77          HG23      VAL  77  -4.334   3.054   6.285
  938    H    PHE  78           H        PHE  78  -5.157   2.021   3.718
  939    HA   PHE  78           HA       PHE  78  -6.963  -0.037   3.495
  940    HB2  PHE  78           HB2      PHE  78  -7.531   2.231   2.846
  941    HB3  PHE  78           HB3      PHE  78  -6.297   2.229   1.601
  942    HD1  PHE  78           HD1      PHE  78  -9.035  -0.219   2.347
  943    HD2  PHE  78           HD2      PHE  78  -7.280   2.528  -0.383
  944    HE1  PHE  78           HE1      PHE  78 -10.703  -0.843   0.651
  945    HE2  PHE  78           HE2      PHE  78  -8.926   1.909  -2.086
  946    HZ   PHE  78           HZ       PHE  78 -10.654   0.224  -1.571
  947    H    LEU  79           H        LEU  79  -4.784   1.004   0.899
  948    HA   LEU  79           HA       LEU  79  -5.313  -1.282  -0.658
  949    HB2  LEU  79           HB2      LEU  79  -3.190   0.835  -0.852
  950    HB3  LEU  79           HB3      LEU  79  -3.405  -0.433  -2.050
  951    HG   LEU  79           HG       LEU  79  -5.377   1.716  -1.310
  952   HD11  LEU  79          HD11      LEU  79  -3.917   1.083  -3.868
  953   HD12  LEU  79          HD12      LEU  79  -5.149   2.331  -3.671
  954   HD13  LEU  79          HD13      LEU  79  -3.622   2.456  -2.801
  955   HD21  LEU  79          HD21      LEU  79  -6.876   0.687  -2.916
  956   HD22  LEU  79          HD22      LEU  79  -5.712  -0.611  -3.190
  957   HD23  LEU  79          HD23      LEU  79  -6.488  -0.444  -1.616
  958    H    SER  80           H        SER  80  -2.546  -0.434   1.387
  959    HA   SER  80           HA       SER  80  -0.961  -2.588   0.510
  960    HB2  SER  80           HB2      SER  80  -0.886  -0.967   3.046
  961    HB3  SER  80           HB3      SER  80   0.359  -2.126   2.574
  962    HG   SER  80           HG       SER  80   1.161  -0.613   1.388
  963    H    CYS  81           H        CYS  81  -3.455  -2.351   2.957
  964    HA   CYS  81           HA       CYS  81  -2.905  -5.008   3.910
  965    HB2  CYS  81           HB2      CYS  81  -5.103  -3.043   4.460
  966    HB3  CYS  81           HB3      CYS  81  -5.106  -4.680   5.130
  967    HG   CYS  81           HG       CYS  81  -2.743  -2.268   5.676
  968    H    ILE  82           H        ILE  82  -4.648  -3.627   1.295
  969    HA   ILE  82           HA       ILE  82  -6.273  -6.000   0.918
  970    HB   ILE  82           HB       ILE  82  -5.752  -3.974  -1.256
  971   HG12  ILE  82          HG12      ILE  82  -7.843  -3.828   0.924
  972   HG13  ILE  82          HG13      ILE  82  -6.504  -2.706   0.693
  973   HG21  ILE  82          HG21      ILE  82  -8.211  -5.611  -0.650
  974   HG22  ILE  82          HG22      ILE  82  -7.839  -4.724  -2.130
  975   HG23  ILE  82          HG23      ILE  82  -6.913  -6.169  -1.714
  976   HD11  ILE  82          HD11      ILE  82  -8.587  -1.778  -0.130
  977   HD12  ILE  82          HD12      ILE  82  -7.438  -2.021  -1.446
  978   HD13  ILE  82          HD13      ILE  82  -8.776  -3.148  -1.224
  979    H    ALA  83           H        ALA  83  -3.073  -4.845   0.044
  980    HA   ALA  83           HA       ALA  83  -2.313  -6.732  -1.830
  981    HB1  ALA  83           HB1      ALA  83  -0.765  -5.910   0.629
  982    HB2  ALA  83           HB2      ALA  83  -0.090  -6.674  -0.810
  983    HB3  ALA  83           HB3      ALA  83  -0.777  -5.053  -0.912
  984    H    MET  84           H        MET  84  -1.918  -7.111   1.661
  985    HA   MET  84           HA       MET  84  -1.477  -9.841   1.755
  986    HB2  MET  84           HB2      MET  84  -2.854  -8.050   3.758
  987    HB3  MET  84           HB3      MET  84  -2.404  -9.713   4.093
  988    HG2  MET  84           HG2      MET  84  -0.074  -9.186   3.795
  989    HG3  MET  84           HG3      MET  84  -0.480  -7.536   3.320
  990    HE1  MET  84           HE1      MET  84  -1.263  -5.644   5.002
  991    HE2  MET  84           HE2      MET  84  -2.708  -6.642   5.184
  992    HE3  MET  84           HE3      MET  84  -1.881  -6.011   6.613
  993    H    MET  85           H        MET  85  -4.529  -8.077   1.847
  994    HA   MET  85           HA       MET  85  -6.145 -10.349   2.305
  995    HB2  MET  85           HB2      MET  85  -6.802  -7.994   2.843
  996    HB3  MET  85           HB3      MET  85  -6.946  -7.693   1.111
  997    HG2  MET  85           HG2      MET  85  -8.459  -9.995   2.152
  998    HG3  MET  85           HG3      MET  85  -9.001  -8.393   2.654
  999    HE1  MET  85           HE1      MET  85 -10.280  -6.692  -0.410
 1000    HE2  MET  85           HE2      MET  85 -10.762  -7.110   1.241
 1001    HE3  MET  85           HE3      MET  85  -9.154  -6.431   0.932
 1002    H    CYS  86           H        CYS  86  -5.132  -8.674  -0.672
 1003    HA   CYS  86           HA       CYS  86  -6.708 -10.052  -2.504
 1004    HB2  CYS  86           HB2      CYS  86  -5.347  -8.107  -3.095
 1005    HB3  CYS  86           HB3      CYS  86  -3.876  -9.030  -2.818
 1006    HG   CYS  86           HG       CYS  86  -4.087  -8.780  -5.536
 1007    H    ASN  87           H        ASN  87  -3.722 -11.043  -0.899
 1008    HA   ASN  87           HA       ASN  87  -3.078 -13.178  -2.618
 1009    HB2  ASN  87           HB2      ASN  87  -1.574 -12.154  -0.857
 1010    HB3  ASN  87           HB3      ASN  87  -2.463 -13.094   0.337
 1011   HD21  ASN  87          HD21      ASN  87  -2.161 -15.302   0.454
 1012   HD22  ASN  87          HD22      ASN  87  -0.881 -16.115  -0.394
 1013    H    GLU  88           H        GLU  88  -5.351 -12.903  -0.006
 1014    HA   GLU  88           HA       GLU  88  -5.894 -15.594   0.525
 1015    HB2  GLU  88           HB2      GLU  88  -6.794 -13.498   1.698
 1016    HB3  GLU  88           HB3      GLU  88  -7.978 -13.409   0.406
 1017    HG2  GLU  88           HG2      GLU  88  -9.131 -14.495   2.074
 1018    HG3  GLU  88           HG3      GLU  88  -8.557 -15.831   1.078
 1019    H    PHE  89           H        PHE  89  -7.266 -13.379  -1.871
 1020    HA   PHE  89           HA       PHE  89  -8.848 -15.458  -3.126
 1021    HB2  PHE  89           HB2      PHE  89  -9.679 -13.133  -2.930
 1022    HB3  PHE  89           HB3      PHE  89  -8.353 -12.580  -3.942
 1023    HD1  PHE  89           HD1      PHE  89 -11.238 -14.934  -3.983
 1024    HD2  PHE  89           HD2      PHE  89  -8.677 -12.367  -6.211
 1025    HE1  PHE  89           HE1      PHE  89 -12.629 -15.285  -5.982
 1026    HE2  PHE  89           HE2      PHE  89 -10.061 -12.716  -8.213
 1027    HZ   PHE  89           HZ       PHE  89 -12.040 -14.174  -8.100
 1028    H    PHE  90           H        PHE  90  -5.726 -14.067  -3.460
 1029    HA   PHE  90           HA       PHE  90  -5.155 -14.745  -6.137
 1030    HB2  PHE  90           HB2      PHE  90  -3.748 -13.259  -4.715
 1031    HB3  PHE  90           HB3      PHE  90  -3.259 -14.662  -3.776
 1032    HD1  PHE  90           HD1      PHE  90  -2.993 -12.987  -7.032
 1033    HD2  PHE  90           HD2      PHE  90  -1.612 -16.182  -4.586
 1034    HE1  PHE  90           HE1      PHE  90  -1.122 -13.362  -8.584
 1035    HE2  PHE  90           HE2      PHE  90   0.260 -16.564  -6.135
 1036    HZ   PHE  90           HZ       PHE  90   0.506 -15.152  -8.136
 1037    H    GLU  91           H        GLU  91  -4.612 -16.487  -3.085
 1038    HA   GLU  91           HA       GLU  91  -3.822 -18.934  -4.287
 1039    HB2  GLU  91           HB2      GLU  91  -5.052 -18.345  -1.588
 1040    HB3  GLU  91           HB3      GLU  91  -4.469 -19.930  -2.068
 1041    HG2  GLU  91           HG2      GLU  91  -2.798 -17.437  -1.868
 1042    HG3  GLU  91           HG3      GLU  91  -2.865 -18.732  -0.673
 1043    H    GLY  92           H        GLY  92  -6.857 -17.381  -3.861
 1044    HA2  GLY  92           HA2      GLY  92  -8.997 -18.019  -4.430
 1045    HA3  GLY  92           HA3      GLY  92  -8.314 -19.482  -5.146
 1046    H    PHE  93           H        PHE  93  -8.159 -18.167  -1.899
 1047    HA   PHE  93           HA       PHE  93  -7.818 -20.265  -0.361
 1048    HB2  PHE  93           HB2      PHE  93  -9.022 -19.156   1.451
 1049    HB3  PHE  93           HB3      PHE  93  -8.091 -18.000   0.508
 1050    HD1  PHE  93           HD2      PHE  93  -9.407 -16.713  -1.340
 1051    HD2  PHE  93           HD1      PHE  93 -11.238 -18.736   1.925
 1052    HE1  PHE  93           HE2      PHE  93 -11.428 -15.341  -1.628
 1053    HE2  PHE  93           HE1      PHE  93 -13.262 -17.368   1.642
 1054    HZ   PHE  93           HZ       PHE  93 -13.360 -15.668  -0.136
 1055    HA   PRO  94           HA       PRO  94 -11.325 -22.997  -0.937
 1056    HB2  PRO  94           HB2      PRO  94  -9.781 -24.878   0.651
 1057    HB3  PRO  94           HB3      PRO  94 -10.226 -24.979  -1.054
 1058    HG2  PRO  94           HG2      PRO  94  -7.668 -24.604  -0.197
 1059    HG3  PRO  94           HG3      PRO  94  -8.271 -24.011  -1.754
 1060    HD2  PRO  94           HD2      PRO  94  -7.875 -22.523   0.818
 1061    HD3  PRO  94           HD3      PRO  94  -7.520 -22.011  -0.848
 1062    H    ASP  95           H        ASP  95 -12.470 -21.552   0.480
 1063    HA   ASP  95           HA       ASP  95 -13.638 -20.987   2.324
 1064    HB2  ASP  95           HB2      ASP  95 -14.281 -23.321   2.507
 1065    HB3  ASP  95           HB3      ASP  95 -12.774 -23.702   3.336
 1066    H    LYS  96           H        LYS  96 -12.954 -19.375   3.493
 1067    HA   LYS  96           HA       LYS  96 -10.287 -19.140   4.419
 1068    HB2  LYS  96           HB2      LYS  96 -11.646 -17.193   3.805
 1069    HB3  LYS  96           HB3      LYS  96 -12.740 -17.525   5.141
 1070    HG2  LYS  96           HG2      LYS  96 -11.034 -17.026   6.744
 1071    HG3  LYS  96           HG3      LYS  96  -9.819 -16.881   5.472
 1072    HD2  LYS  96           HD2      LYS  96 -10.966 -14.952   4.558
 1073    HD3  LYS  96           HD3      LYS  96 -12.254 -15.124   5.751
 1074    HE2  LYS  96           HE2      LYS  96 -10.643 -13.360   6.343
 1075    HE3  LYS  96           HE3      LYS  96 -10.708 -14.648   7.543
 1076    HZ1  LYS  96           HZ1      LYS  96  -8.650 -15.476   6.870
 1077    HZ2  LYS  96           HZ2      LYS  96  -8.434 -13.791   6.847
 1078    HZ3  LYS  96           HZ3      LYS  96  -8.668 -14.639   5.394
 1079    H    GLN  97           H        GLN  97  -9.602 -20.533   5.895
 1080    HA   GLN  97           HA       GLN  97 -11.349 -21.475   7.997
 1081    HB2  GLN  97           HB2      GLN  97  -9.623 -22.834   6.609
 1082    HB3  GLN  97           HB3      GLN  97  -8.434 -22.151   7.708
 1083    HG2  GLN  97           HG2      GLN  97  -9.576 -23.152   9.599
 1084    HG3  GLN  97           HG3      GLN  97 -10.818 -23.794   8.526
 1085   HE21  GLN  97          HE21      GLN  97 -10.269 -25.447   7.070
 1086   HE22  GLN  97          HE22      GLN  97  -8.881 -26.450   7.328
 1087    HA   PRO  98           HA       PRO  98  -9.944 -18.595  11.109
 1088    HB2  PRO  98           HB2      PRO  98 -10.446 -20.834  12.983
 1089    HB3  PRO  98           HB3      PRO  98 -11.120 -19.201  12.975
 1090    HG2  PRO  98           HG2      PRO  98 -12.607 -21.293  12.255
 1091    HG3  PRO  98           HG3      PRO  98 -12.748 -19.737  11.415
 1092    HD2  PRO  98           HD2      PRO  98 -11.321 -22.227  10.563
 1093    HD3  PRO  98           HD3      PRO  98 -12.312 -21.112   9.599
 1094    H    ARG  99           H        ARG  99  -8.574 -18.977  13.323
 1095    HA   ARG  99           HA       ARG  99  -6.045 -19.993  12.257
 1096    HB2  ARG  99           HB2      ARG  99  -6.694 -18.044  14.461
 1097    HB3  ARG  99           HB3      ARG  99  -5.065 -18.646  14.173
 1098    HG2  ARG  99           HG2      ARG  99  -5.088 -17.719  11.933
 1099    HG3  ARG  99           HG3      ARG  99  -6.749 -17.171  12.157
 1100    HD2  ARG  99           HD2      ARG  99  -4.409 -16.273  13.832
 1101    HD3  ARG  99           HD3      ARG  99  -5.049 -15.383  12.451
 1102    HE   ARG  99           HE       ARG  99  -6.728 -16.001  14.796
 1103   HH11  ARG  99          HH12      ARG  99  -5.356 -13.705  12.527
 1104   HH12  ARG  99          HH11      ARG  99  -6.298 -12.366  13.124
 1105   HH21  ARG  99          HH22      ARG  99  -7.971 -14.276  15.561
 1106   HH22  ARG  99          HH21      ARG  99  -7.808 -12.694  14.844
 1107    H    LYS 100           H        LYS 100  -8.224 -21.605  13.565
 1108    HA   LYS 100           HA       LYS 100  -8.234 -23.630  14.572
 1109    HB2  LYS 100           HB2      LYS 100  -6.025 -24.005  13.631
 1110    HB3  LYS 100           HB3      LYS 100  -5.279 -23.136  14.963
 1111    HG2  LYS 100           HG2      LYS 100  -5.022 -25.521  15.251
 1112    HG3  LYS 100           HG3      LYS 100  -6.055 -24.859  16.519
 1113    HD2  LYS 100           HD2      LYS 100  -8.030 -25.653  15.367
 1114    HD3  LYS 100           HD3      LYS 100  -7.046 -26.227  14.020
 1115    HE2  LYS 100           HE2      LYS 100  -7.693 -28.057  15.511
 1116    HE3  LYS 100           HE3      LYS 100  -5.946 -27.827  15.480
 1117    HZ1  LYS 100           HZ1      LYS 100  -6.062 -26.685  17.580
 1118    HZ2  LYS 100           HZ2      LYS 100  -6.819 -28.193  17.725
 1119    HZ3  LYS 100           HZ3      LYS 100  -7.756 -26.784  17.597
 1120    H    LYS 101           H        LYS 101  -9.154 -24.041  16.433
 1121    HA   LYS 101           HA       LYS 101  -7.921 -23.116  18.907
 1122    HB2  LYS 101           HB2      LYS 101 -10.063 -22.291  19.799
 1123    HB3  LYS 101           HB3      LYS 101  -9.539 -21.359  18.405
 1124    HG2  LYS 101           HG2      LYS 101 -11.125 -22.520  16.990
 1125    HG3  LYS 101           HG3      LYS 101 -11.609 -23.548  18.342
 1126    HD2  LYS 101           HD2      LYS 101 -13.249 -21.823  18.101
 1127    HD3  LYS 101           HD3      LYS 101 -12.316 -21.486  19.559
 1128    HE2  LYS 101           HE2      LYS 101 -12.604 -19.426  18.402
 1129    HE3  LYS 101           HE3      LYS 101 -10.923 -19.914  18.202
 1130    HZ1  LYS 101           HZ1      LYS 101 -13.083 -20.299  16.199
 1131    HZ2  LYS 101           HZ2      LYS 101 -11.460 -20.749  15.997
 1132    HZ3  LYS 101           HZ3      LYS 101 -11.876 -19.109  16.131
 1133    H    MET   1           H1       MET   1  -2.853  -0.181 -21.567
 1134    HA   MET   1           HA       MET   1  -2.190   1.014 -19.617
 1135    HB2  MET   1           HB2      MET   1  -4.877   2.382 -19.909
 1136    HB3  MET   1           HB3      MET   1  -3.807   2.542 -18.524
 1137    HG2  MET   1           HG2      MET   1  -2.120   3.588 -19.931
 1138    HG3  MET   1           HG3      MET   1  -3.164   3.394 -21.338
 1139    HE1  MET   1           HE1      MET   1  -2.622   5.216 -17.917
 1140    HE2  MET   1           HE2      MET   1  -4.103   6.161 -17.761
 1141    HE3  MET   1           HE3      MET   1  -4.163   4.401 -17.649
 1142    H    ALA   2           H        ALA   2  -2.774   0.215 -17.545
 1143    HA   ALA   2           HA       ALA   2  -4.767  -1.945 -17.682
 1144    HB1  ALA   2           HB1      ALA   2  -2.471  -2.582 -17.041
 1145    HB2  ALA   2           HB2      ALA   2  -2.557  -1.471 -15.673
 1146    HB3  ALA   2           HB3      ALA   2  -3.622  -2.876 -15.736
 1147    H    CYS   3           H        CYS   3  -5.998  -2.284 -15.573
 1148    HA   CYS   3           HA       CYS   3  -7.235   0.133 -14.731
 1149    HB2  CYS   3           HB2      CYS   3  -7.368  -2.611 -13.460
 1150    HB3  CYS   3           HB3      CYS   3  -8.478  -1.276 -13.170
 1151    HG   CYS   3           HG       CYS   3  -9.247  -3.589 -14.972
 1152    HA   PRO   4           HA       PRO   4  -3.663   1.294 -12.452
 1153    HB2  PRO   4           HB2      PRO   4  -5.632   3.208 -11.302
 1154    HB3  PRO   4           HB3      PRO   4  -4.033   3.526 -11.986
 1155    HG2  PRO   4           HG2      PRO   4  -6.144   4.102 -13.421
 1156    HG3  PRO   4           HG3      PRO   4  -4.805   3.217 -14.194
 1157    HD2  PRO   4           HD2      PRO   4  -7.405   2.154 -13.128
 1158    HD3  PRO   4           HD3      PRO   4  -6.593   1.797 -14.669
 1159    H    LEU   5           H        LEU   5  -6.542   1.773 -10.364
 1160    HA   LEU   5           HA       LEU   5  -5.063   1.151  -8.020
 1161    HB2  LEU   5           HB2      LEU   5  -7.460   2.365  -8.542
 1162    HB3  LEU   5           HB3      LEU   5  -7.978   0.827  -7.878
 1163    HG   LEU   5           HG       LEU   5  -7.864   2.604  -6.180
 1164   HD11  LEU   5          HD11      LEU   5  -5.871   0.387  -5.809
 1165   HD12  LEU   5          HD12      LEU   5  -6.603   1.347  -4.522
 1166   HD13  LEU   5          HD13      LEU   5  -7.609   0.294  -5.518
 1167   HD21  LEU   5          HD21      LEU   5  -5.992   3.880  -7.092
 1168   HD22  LEU   5          HD22      LEU   5  -5.710   3.422  -5.409
 1169   HD23  LEU   5          HD23      LEU   5  -4.898   2.549  -6.711
 1170    H    GLU   6           H        GLU   6  -6.944  -0.713 -10.249
 1171    HA   GLU   6           HA       GLU   6  -7.433  -3.026  -8.770
 1172    HB2  GLU   6           HB2      GLU   6  -8.420  -2.707 -10.953
 1173    HB3  GLU   6           HB3      GLU   6  -6.834  -2.670 -11.709
 1174    HG2  GLU   6           HG2      GLU   6  -6.548  -5.044 -10.839
 1175    HG3  GLU   6           HG3      GLU   6  -8.283  -5.008 -10.523
 1176    H    LYS   7           H        LYS   7  -4.725  -2.288 -10.949
 1177    HA   LYS   7           HA       LYS   7  -3.438  -4.731 -10.438
 1178    HB2  LYS   7           HB2      LYS   7  -2.720  -2.245 -11.910
 1179    HB3  LYS   7           HB3      LYS   7  -1.427  -3.379 -11.507
 1180    HG2  LYS   7           HG2      LYS   7  -3.957  -4.149 -12.948
 1181    HG3  LYS   7           HG3      LYS   7  -2.438  -3.733 -13.750
 1182    HD2  LYS   7           HD2      LYS   7  -1.381  -5.640 -13.044
 1183    HD3  LYS   7           HD3      LYS   7  -2.386  -5.804 -11.609
 1184    HE2  LYS   7           HE2      LYS   7  -3.272  -6.329 -14.438
 1185    HE3  LYS   7           HE3      LYS   7  -2.811  -7.556 -13.259
 1186    HZ1  LYS   7           HZ1      LYS   7  -5.169  -5.740 -13.150
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.660  -6.672 -11.830
 1188    HZ3  LYS   7           HZ3      LYS   7  -5.161  -7.434 -13.258
 1189    H    ALA   8           H        ALA   8  -3.364  -1.697  -8.814
 1190    HA   ALA   8           HA       ALA   8  -0.966  -1.751  -7.479
 1191    HB1  ALA   8           HB1      ALA   8  -2.615   0.052  -7.257
 1192    HB2  ALA   8           HB2      ALA   8  -3.634  -1.006  -6.282
 1193    HB3  ALA   8           HB3      ALA   8  -2.048  -0.515  -5.686
 1194    H    LEU   9           H        LEU   9  -3.975  -3.419  -6.447
 1195    HA   LEU   9           HA       LEU   9  -2.558  -4.688  -4.275
 1196    HB2  LEU   9           HB2      LEU   9  -5.334  -5.376  -5.252
 1197    HB3  LEU   9           HB3      LEU   9  -4.615  -5.812  -3.728
 1198    HG   LEU   9           HG       LEU   9  -6.071  -4.095  -3.171
 1199   HD11  LEU   9          HD11      LEU   9  -3.886  -3.752  -2.207
 1200   HD12  LEU   9          HD12      LEU   9  -3.405  -2.782  -3.601
 1201   HD13  LEU   9          HD13      LEU   9  -4.682  -2.208  -2.528
 1202   HD21  LEU   9          HD21      LEU   9  -6.595  -3.338  -5.436
 1203   HD22  LEU   9          HD22      LEU   9  -6.287  -1.989  -4.343
 1204   HD23  LEU   9          HD23      LEU   9  -5.053  -2.483  -5.499
 1205    H    ASP  10           H        ASP  10  -3.634  -5.573  -7.501
 1206    HA   ASP  10           HA       ASP  10  -3.235  -8.340  -7.425
 1207    HB2  ASP  10           HB2      ASP  10  -3.013  -6.295  -9.599
 1208    HB3  ASP  10           HB3      ASP  10  -2.461  -7.930  -9.911
 1209    H    VAL  11           H        VAL  11  -0.970  -5.781  -8.330
 1210    HA   VAL  11           HA       VAL  11   1.155  -7.615  -8.827
 1211    HB   VAL  11           HB       VAL  11   2.489  -5.714  -9.340
 1212   HG11  VAL  11          HG11      VAL  11  -0.355  -5.082 -10.127
 1213   HG12  VAL  11          HG12      VAL  11   1.110  -4.592 -10.978
 1214   HG13  VAL  11          HG13      VAL  11   0.659  -6.297 -10.909
 1215   HG21  VAL  11          HG21      VAL  11   0.393  -4.036  -7.960
 1216   HG22  VAL  11          HG22      VAL  11   2.022  -4.362  -7.365
 1217   HG23  VAL  11          HG23      VAL  11   1.793  -3.416  -8.837
 1218    H    MET  12           H        MET  12   0.030  -5.874  -6.069
 1219    HA   MET  12           HA       MET  12   2.275  -5.790  -4.443
 1220    HB2  MET  12           HB2      MET  12  -0.646  -6.020  -3.970
 1221    HB3  MET  12           HB3      MET  12   0.431  -6.347  -2.617
 1222    HG2  MET  12           HG2      MET  12   1.384  -4.182  -2.746
 1223    HG3  MET  12           HG3      MET  12   0.572  -3.854  -4.276
 1224    HE1  MET  12           HE1      MET  12   0.026  -1.520  -2.869
 1225    HE2  MET  12           HE2      MET  12  -0.978  -1.531  -1.405
 1226    HE3  MET  12           HE3      MET  12   0.651  -2.222  -1.369
 1227    H    VAL  13           H        VAL  13  -0.002  -8.475  -4.952
 1228    HA   VAL  13           HA       VAL  13   1.749 -10.207  -3.403
 1229    HB   VAL  13           HB       VAL  13   0.015 -11.978  -3.872
 1230   HG11  VAL  13          HG11      VAL  13   0.120 -10.716  -1.782
 1231   HG12  VAL  13          HG12      VAL  13  -0.894  -9.458  -2.489
 1232   HG13  VAL  13          HG13      VAL  13  -1.548 -11.076  -2.231
 1233   HG21  VAL  13          HG21      VAL  13  -1.518  -9.615  -4.949
 1234   HG22  VAL  13          HG22      VAL  13  -0.997 -11.027  -5.868
 1235   HG23  VAL  13          HG23      VAL  13  -2.201 -11.202  -4.591
 1236    H    SER  14           H        SER  14   1.065  -9.487  -6.722
 1237    HA   SER  14           HA       SER  14   2.068 -11.927  -7.802
 1238    HB2  SER  14           HB2      SER  14   1.755  -9.210  -9.099
 1239    HB3  SER  14           HB3      SER  14   2.093 -10.714  -9.956
 1240    HG   SER  14           HG       SER  14  -0.232 -10.059  -8.455
 1241    H    THR  15           H        THR  15   3.495  -8.635  -7.833
 1242    HA   THR  15           HA       THR  15   6.072  -9.488  -8.615
 1243    HB   THR  15           HB       THR  15   5.305  -6.976  -7.102
 1244    HG1  THR  15           HG1      THR  15   5.618  -6.340  -9.580
 1245   HG21  THR  15          HG21      THR  15   7.673  -7.534  -8.893
 1246   HG22  THR  15          HG22      THR  15   7.728  -7.413  -7.135
 1247   HG23  THR  15          HG23      THR  15   7.302  -6.001  -8.103
 1248    H    PHE  16           H        PHE  16   4.440  -9.251  -5.588
 1249    HA   PHE  16           HA       PHE  16   6.412  -9.445  -3.685
 1250    HB2  PHE  16           HB2      PHE  16   3.992  -9.292  -3.259
 1251    HB3  PHE  16           HB3      PHE  16   3.790 -10.942  -3.818
 1252    HD1  PHE  16           HD2      PHE  16   5.962  -9.155  -1.363
 1253    HD2  PHE  16           HD1      PHE  16   3.404 -12.447  -2.180
 1254    HE1  PHE  16           HE2      PHE  16   6.245  -9.942   0.947
 1255    HE2  PHE  16           HE1      PHE  16   3.676 -13.239   0.128
 1256    HZ   PHE  16           HZ       PHE  16   5.099 -11.984   1.695
 1257    H    HIS  17           H        HIS  17   4.724 -12.252  -5.118
 1258    HA   HIS  17           HA       HIS  17   6.582 -14.124  -4.034
 1259    HB2  HIS  17           HB2      HIS  17   4.574 -14.510  -6.265
 1260    HB3  HIS  17           HB3      HIS  17   5.413 -15.796  -5.410
 1261    HD1  HIS  17           HD1      HIS  17   4.996 -15.172  -2.526
 1262    HD2  HIS  17           HD2      HIS  17   2.033 -14.539  -5.382
 1263    HE1  HIS  17           HE1      HIS  17   2.822 -15.140  -1.261
 1264    HE2  HIS  17           HE2      HIS  17   1.039 -14.822  -3.008
 1265    H    LYS  18           H        LYS  18   6.481 -12.236  -6.875
 1266    HA   LYS  18           HA       LYS  18   7.992 -13.721  -8.675
 1267    HB2  LYS  18           HB2      LYS  18   6.779 -11.723  -9.300
 1268    HB3  LYS  18           HB3      LYS  18   7.793 -10.737  -8.261
 1269    HG2  LYS  18           HG2      LYS  18   9.721 -11.243  -9.701
 1270    HG3  LYS  18           HG3      LYS  18   8.656 -12.170 -10.764
 1271    HD2  LYS  18           HD2      LYS  18   7.349 -10.203 -11.247
 1272    HD3  LYS  18           HD3      LYS  18   8.265  -9.259 -10.072
 1273    HE2  LYS  18           HE2      LYS  18  10.300  -9.625 -11.432
 1274    HE3  LYS  18           HE3      LYS  18   9.310 -10.459 -12.632
 1275    HZ1  LYS  18           HZ1      LYS  18   8.932  -7.634 -11.775
 1276    HZ2  LYS  18           HZ2      LYS  18   8.058  -8.443 -12.982
 1277    HZ3  LYS  18           HZ3      LYS  18   9.707  -8.127 -13.203
 1278    H    TYR  19           H        TYR  19   9.056 -11.562  -6.067
 1279    HA   TYR  19           HA       TYR  19  11.846 -12.274  -6.706
 1280    HB2  TYR  19           HB2      TYR  19  10.710  -9.941  -5.159
 1281    HB3  TYR  19           HB3      TYR  19  12.431 -10.311  -5.244
 1282    HD1  TYR  19           HD1      TYR  19  13.657 -10.046  -7.351
 1283    HD2  TYR  19           HD2      TYR  19   9.540  -9.018  -7.054
 1284    HE1  TYR  19           HE1      TYR  19  13.817  -8.810  -9.478
 1285    HE2  TYR  19           HE2      TYR  19   9.691  -7.783  -9.173
 1286    HH   TYR  19           HH       TYR  19  12.321  -8.087 -11.286
 1287    H    SER  20           H        SER  20   9.479 -12.288  -4.058
 1288    HA   SER  20           HA       SER  20  11.319 -13.060  -2.055
 1289    HB2  SER  20           HB2      SER  20   9.295 -13.857  -0.813
 1290    HB3  SER  20           HB3      SER  20   9.166 -12.200  -1.399
 1291    HG   SER  20           HG       SER  20   7.711 -12.797  -2.856
 1292    H    GLY  21           H        GLY  21   9.229 -14.927  -4.216
 1293    HA2  GLY  21           HA2      GLY  21   9.950 -17.474  -3.204
 1294    HA3  GLY  21           HA3      GLY  21   9.158 -17.155  -4.737
 1295    H    LYS  22           H        LYS  22  11.935 -15.357  -4.691
 1296    HA   LYS  22           HA       LYS  22  13.363 -17.184  -6.396
 1297    HB2  LYS  22           HB2      LYS  22  13.350 -14.704  -6.717
 1298    HB3  LYS  22           HB3      LYS  22  14.260 -14.542  -5.223
 1299    HG2  LYS  22           HG2      LYS  22  16.129 -15.722  -6.187
 1300    HG3  LYS  22           HG3      LYS  22  15.210 -16.022  -7.665
 1301    HD2  LYS  22           HD2      LYS  22  15.871 -13.281  -6.598
 1302    HD3  LYS  22           HD3      LYS  22  16.816 -14.118  -7.838
 1303    HE2  LYS  22           HE2      LYS  22  14.724 -14.240  -9.205
 1304    HE3  LYS  22           HE3      LYS  22  13.943 -13.219  -7.998
 1305    HZ1  LYS  22           HZ1      LYS  22  15.662 -11.525  -8.431
 1306    HZ2  LYS  22           HZ2      LYS  22  14.726 -11.871  -9.806
 1307    HZ3  LYS  22           HZ3      LYS  22  16.291 -12.501  -9.667
 1308    H    GLU  23           H        GLU  23  13.251 -16.333  -3.082
 1309    HA   GLU  23           HA       GLU  23  15.670 -17.829  -2.421
 1310    HB2  GLU  23           HB2      GLU  23  13.723 -16.163  -0.835
 1311    HB3  GLU  23           HB3      GLU  23  14.917 -17.176  -0.043
 1312    HG2  GLU  23           HG2      GLU  23  15.569 -15.015  -2.026
 1313    HG3  GLU  23           HG3      GLU  23  15.601 -14.815  -0.274
 1314    H    GLY  24           H        GLY  24  15.085 -19.184  -0.168
 1315    HA2  GLY  24           HA2      GLY  24  13.586 -21.422  -1.029
 1316    HA3  GLY  24           HA3      GLY  24  14.155 -21.135   0.611
 1317    H    ASP  25           H        ASP  25  12.795 -18.661   0.989
 1318    HA   ASP  25           HA       ASP  25  10.114 -19.614   1.521
 1319    HB2  ASP  25           HB2      ASP  25  11.546 -18.122   3.074
 1320    HB3  ASP  25           HB3      ASP  25  11.115 -16.804   1.988
 1321    H    LYS  26           H        LYS  26   8.263 -17.994   0.943
 1322    HA   LYS  26           HA       LYS  26   8.750 -16.853  -1.709
 1323    HB2  LYS  26           HB2      LYS  26   6.520 -17.886  -2.432
 1324    HB3  LYS  26           HB3      LYS  26   7.931 -18.924  -2.367
 1325    HG2  LYS  26           HG2      LYS  26   6.376 -20.262  -1.373
 1326    HG3  LYS  26           HG3      LYS  26   7.062 -19.462   0.039
 1327    HD2  LYS  26           HD2      LYS  26   4.728 -19.390   0.337
 1328    HD3  LYS  26           HD3      LYS  26   5.192 -17.769  -0.191
 1329    HE2  LYS  26           HE2      LYS  26   4.390 -18.154  -2.384
 1330    HE3  LYS  26           HE3      LYS  26   4.234 -19.886  -2.099
 1331    HZ1  LYS  26           HZ1      LYS  26   2.647 -17.821  -0.680
 1332    HZ2  LYS  26           HZ2      LYS  26   2.422 -19.498  -0.625
 1333    HZ3  LYS  26           HZ3      LYS  26   2.110 -18.649  -2.058
 1334    H    PHE  27           H        PHE  27   7.757 -16.196   1.278
 1335    HA   PHE  27           HA       PHE  27   6.180 -13.917   0.266
 1336    HB2  PHE  27           HB2      PHE  27   4.831 -13.975   2.373
 1337    HB3  PHE  27           HB3      PHE  27   4.535 -15.340   1.307
 1338    HD1  PHE  27           HD2      PHE  27   6.345 -14.319   4.379
 1339    HD2  PHE  27           HD1      PHE  27   4.760 -17.528   2.076
 1340    HE1  PHE  27           HE2      PHE  27   6.759 -15.860   6.248
 1341    HE2  PHE  27           HE1      PHE  27   5.169 -19.075   3.945
 1342    HZ   PHE  27           HZ       PHE  27   6.170 -18.240   6.033
 1343    H    LYS  28           H        LYS  28   9.003 -14.699   1.311
 1344    HA   LYS  28           HA       LYS  28   9.243 -12.366   3.081
 1345    HB2  LYS  28           HB2      LYS  28   9.513 -14.540   4.275
 1346    HB3  LYS  28           HB3      LYS  28  10.864 -14.919   3.217
 1347    HG2  LYS  28           HG2      LYS  28  11.790 -14.155   5.233
 1348    HG3  LYS  28           HG3      LYS  28  11.974 -12.837   4.076
 1349    HD2  LYS  28           HD2      LYS  28  11.228 -11.775   6.012
 1350    HD3  LYS  28           HD3      LYS  28   9.767 -11.947   5.045
 1351    HE2  LYS  28           HE2      LYS  28   9.230 -12.548   7.286
 1352    HE3  LYS  28           HE3      LYS  28   9.254 -14.025   6.322
 1353    HZ1  LYS  28           HZ1      LYS  28  10.378 -14.323   8.441
 1354    HZ2  LYS  28           HZ2      LYS  28  11.461 -13.070   8.070
 1355    HZ3  LYS  28           HZ3      LYS  28  11.471 -14.495   7.157
 1356    H    LEU  29           H        LEU  29  10.424 -10.799   2.185
 1357    HA   LEU  29           HA       LEU  29  12.396 -11.548   0.118
 1358    HB2  LEU  29           HB2      LEU  29  11.039  -8.884   0.534
 1359    HB3  LEU  29           HB3      LEU  29  12.211  -9.244  -0.713
 1360    HG   LEU  29           HG       LEU  29  10.443 -11.077  -1.396
 1361   HD11  LEU  29          HD11      LEU  29   8.801  -9.023   0.058
 1362   HD12  LEU  29          HD12      LEU  29   8.155 -10.239  -1.043
 1363   HD13  LEU  29          HD13      LEU  29   8.942 -10.734   0.457
 1364   HD21  LEU  29          HD21      LEU  29  11.199  -9.261  -2.821
 1365   HD22  LEU  29          HD22      LEU  29   9.448  -9.445  -2.934
 1366   HD23  LEU  29          HD23      LEU  29  10.137  -8.133  -1.976
 1367    H    ASN  30           H        ASN  30  14.443 -11.458   0.787
 1368    HA   ASN  30           HA       ASN  30  15.218  -9.768   3.000
 1369    HB2  ASN  30           HB2      ASN  30  17.442 -10.694   2.717
 1370    HB3  ASN  30           HB3      ASN  30  16.264 -12.003   2.637
 1371   HD21  ASN  30          HD21      ASN  30  15.888 -13.025   0.698
 1372   HD22  ASN  30          HD22      ASN  30  16.924 -12.827  -0.672
 1373    H    LYS  31           H        LYS  31  17.586  -8.709   2.390
 1374    HA   LYS  31           HA       LYS  31  17.042  -6.308   1.204
 1375    HB2  LYS  31           HB2      LYS  31  19.693  -7.748   1.354
 1376    HB3  LYS  31           HB3      LYS  31  19.518  -6.058   0.910
 1377    HG2  LYS  31           HG2      LYS  31  18.553  -5.582   3.102
 1378    HG3  LYS  31           HG3      LYS  31  18.738  -7.281   3.547
 1379    HD2  LYS  31           HD2      LYS  31  21.152  -7.103   3.275
 1380    HD3  LYS  31           HD3      LYS  31  20.984  -5.421   2.772
 1381    HE2  LYS  31           HE2      LYS  31  20.064  -4.854   4.961
 1382    HE3  LYS  31           HE3      LYS  31  20.208  -6.538   5.463
 1383    HZ1  LYS  31           HZ1      LYS  31  22.604  -6.381   5.183
 1384    HZ2  LYS  31           HZ2      LYS  31  22.052  -5.216   6.282
 1385    HZ3  LYS  31           HZ3      LYS  31  22.465  -4.763   4.699
 1386    H    SER  32           H        SER  32  18.485  -9.159  -0.369
 1387    HA   SER  32           HA       SER  32  19.097  -7.844  -2.793
 1388    HB2  SER  32           HB2      SER  32  20.164  -9.959  -2.027
 1389    HB3  SER  32           HB3      SER  32  18.649 -10.805  -2.347
 1390    HG   SER  32           HG       SER  32  18.891 -10.471  -4.499
 1391    H    GLU  33           H        GLU  33  16.303  -9.755  -1.757
 1392    HA   GLU  33           HA       GLU  33  15.143  -9.919  -4.344
 1393    HB2  GLU  33           HB2      GLU  33  13.613 -10.093  -1.754
 1394    HB3  GLU  33           HB3      GLU  33  13.213 -10.831  -3.295
 1395    HG2  GLU  33           HG2      GLU  33  15.153 -11.688  -1.222
 1396    HG3  GLU  33           HG3      GLU  33  13.981 -12.633  -2.133
 1397    H    LEU  34           H        LEU  34  14.681  -7.794  -1.564
 1398    HA   LEU  34           HA       LEU  34  12.607  -6.242  -2.685
 1399    HB2  LEU  34           HB2      LEU  34  14.521  -5.926  -0.436
 1400    HB3  LEU  34           HB3      LEU  34  13.690  -4.496  -1.013
 1401    HG   LEU  34           HG       LEU  34  12.256  -6.993  -0.127
 1402   HD11  LEU  34          HD11      LEU  34  11.770  -5.721   1.924
 1403   HD12  LEU  34          HD12      LEU  34  13.487  -6.082   1.744
 1404   HD13  LEU  34          HD13      LEU  34  12.885  -4.464   1.386
 1405   HD21  LEU  34          HD21      LEU  34  10.313  -5.566  -0.105
 1406   HD22  LEU  34          HD22      LEU  34  11.294  -4.164  -0.546
 1407   HD23  LEU  34          HD23      LEU  34  11.072  -5.484  -1.696
 1408    H    LYS  35           H        LYS  35  16.139  -5.834  -2.673
 1409    HA   LYS  35           HA       LYS  35  16.186  -3.311  -3.841
 1410    HB2  LYS  35           HB2      LYS  35  18.176  -4.518  -2.867
 1411    HB3  LYS  35           HB3      LYS  35  18.261  -5.439  -4.366
 1412    HG2  LYS  35           HG2      LYS  35  18.761  -3.525  -5.640
 1413    HG3  LYS  35           HG3      LYS  35  18.288  -2.437  -4.337
 1414    HD2  LYS  35           HD2      LYS  35  20.663  -2.434  -4.438
 1415    HD3  LYS  35           HD3      LYS  35  20.202  -3.357  -3.003
 1416    HE2  LYS  35           HE2      LYS  35  20.521  -5.439  -4.244
 1417    HE3  LYS  35           HE3      LYS  35  20.973  -4.511  -5.671
 1418    HZ1  LYS  35           HZ1      LYS  35  22.437  -4.451  -3.088
 1419    HZ2  LYS  35           HZ2      LYS  35  22.889  -3.667  -4.523
 1420    HZ3  LYS  35           HZ3      LYS  35  22.899  -5.360  -4.445
 1421    H    GLU  36           H        GLU  36  16.370  -6.504  -5.442
 1422    HA   GLU  36           HA       GLU  36  16.357  -5.535  -8.058
 1423    HB2  GLU  36           HB2      GLU  36  15.481  -8.099  -6.818
 1424    HB3  GLU  36           HB3      GLU  36  15.042  -7.757  -8.483
 1425    HG2  GLU  36           HG2      GLU  36  17.407  -7.424  -9.022
 1426    HG3  GLU  36           HG3      GLU  36  17.821  -7.858  -7.372
 1427    H    LEU  37           H        LEU  37  13.632  -6.426  -5.975
 1428    HA   LEU  37           HA       LEU  37  11.504  -5.956  -7.649
 1429    HB2  LEU  37           HB2      LEU  37  11.542  -6.752  -5.222
 1430    HB3  LEU  37           HB3      LEU  37  11.593  -5.054  -4.780
 1431    HG   LEU  37           HG       LEU  37   9.396  -5.648  -6.594
 1432   HD11  LEU  37          HD11      LEU  37   8.059  -6.888  -4.962
 1433   HD12  LEU  37          HD12      LEU  37   9.469  -7.815  -5.476
 1434   HD13  LEU  37          HD13      LEU  37   9.466  -7.015  -3.904
 1435   HD21  LEU  37          HD21      LEU  37   9.635  -3.573  -5.318
 1436   HD22  LEU  37          HD22      LEU  37   8.147  -4.419  -4.894
 1437   HD23  LEU  37          HD23      LEU  37   9.540  -4.486  -3.813
 1438    H    LEU  38           H        LEU  38  13.090  -3.578  -5.527
 1439    HA   LEU  38           HA       LEU  38  11.588  -1.386  -6.525
 1440    HB2  LEU  38           HB2      LEU  38  14.024  -1.616  -4.799
 1441    HB3  LEU  38           HB3      LEU  38  13.469  -0.048  -5.359
 1442    HG   LEU  38           HG       LEU  38  11.202  -1.327  -4.278
 1443   HD11  LEU  38          HD11      LEU  38  11.939  -1.774  -1.972
 1444   HD12  LEU  38          HD12      LEU  38  12.602  -2.921  -3.141
 1445   HD13  LEU  38          HD13      LEU  38  13.616  -1.626  -2.503
 1446   HD21  LEU  38          HD21      LEU  38  11.338   0.472  -2.626
 1447   HD22  LEU  38          HD22      LEU  38  12.993   0.811  -3.132
 1448   HD23  LEU  38          HD23      LEU  38  11.657   1.064  -4.256
 1449    H    THR  39           H        THR  39  14.872  -2.583  -7.287
 1450    HA   THR  39           HA       THR  39  15.637  -0.418  -8.909
 1451    HB   THR  39           HB       THR  39  17.229  -1.966 -10.013
 1452    HG1  THR  39           HG1      THR  39  15.598  -3.857  -8.743
 1453   HG21  THR  39          HG21      THR  39  17.092  -2.277  -7.021
 1454   HG22  THR  39          HG22      THR  39  17.826  -0.924  -7.886
 1455   HG23  THR  39          HG23      THR  39  18.517  -2.544  -8.024
 1456    H    ARG  40           H        ARG  40  13.664  -3.207  -9.580
 1457    HA   ARG  40           HA       ARG  40  13.723  -2.790 -12.439
 1458    HB2  ARG  40           HB2      ARG  40  12.154  -4.703 -10.714
 1459    HB3  ARG  40           HB3      ARG  40  12.139  -4.706 -12.472
 1460    HG2  ARG  40           HG2      ARG  40  14.520  -5.240 -10.706
 1461    HG3  ARG  40           HG3      ARG  40  13.590  -6.441 -11.604
 1462    HD2  ARG  40           HD2      ARG  40  15.346  -4.257 -12.692
 1463    HD3  ARG  40           HD3      ARG  40  15.545  -6.005 -12.853
 1464    HE   ARG  40           HE       ARG  40  13.100  -5.438 -13.993
 1465   HH11  ARG  40          HH12      ARG  40  16.422  -4.460 -14.578
 1466   HH12  ARG  40          HH11      ARG  40  16.149  -4.153 -16.267
 1467   HH21  ARG  40          HH22      ARG  40  12.755  -5.033 -16.187
 1468   HH22  ARG  40          HH21      ARG  40  14.065  -4.472 -17.186
 1469    H    GLU  41           H        GLU  41  11.146  -2.870  -9.964
 1470    HA   GLU  41           HA       GLU  41   9.428  -1.532 -11.915
 1471    HB2  GLU  41           HB2      GLU  41   8.841  -3.323  -9.580
 1472    HB3  GLU  41           HB3      GLU  41   7.581  -2.372 -10.360
 1473    HG2  GLU  41           HG2      GLU  41   7.883  -3.486 -12.421
 1474    HG3  GLU  41           HG3      GLU  41   9.378  -4.240 -11.874
 1475    H    LEU  42           H        LEU  42  11.128  -0.737  -9.077
 1476    HA   LEU  42           HA       LEU  42   9.338   1.599  -8.762
 1477    HB2  LEU  42           HB2      LEU  42  10.938   0.257  -6.580
 1478    HB3  LEU  42           HB3      LEU  42   9.972   1.705  -6.389
 1479    HG   LEU  42           HG       LEU  42   7.989   0.202  -7.129
 1480   HD11  LEU  42          HD11      LEU  42   9.285  -1.705  -7.851
 1481   HD12  LEU  42          HD12      LEU  42   9.982  -1.867  -6.237
 1482   HD13  LEU  42          HD13      LEU  42   8.258  -2.142  -6.486
 1483   HD21  LEU  42          HD21      LEU  42   9.329  -0.142  -4.452
 1484   HD22  LEU  42          HD22      LEU  42   8.233   1.161  -4.910
 1485   HD23  LEU  42          HD23      LEU  42   7.639  -0.496  -4.810
 1486    HA   PRO  43           HA       PRO  43  13.968   2.565  -9.497
 1487    HB2  PRO  43           HB2      PRO  43  13.229   3.839 -12.011
 1488    HB3  PRO  43           HB3      PRO  43  14.412   2.565 -11.721
 1489    HG2  PRO  43           HG2      PRO  43  12.099   2.113 -13.040
 1490    HG3  PRO  43           HG3      PRO  43  12.872   0.883 -12.023
 1491    HD2  PRO  43           HD2      PRO  43  10.554   2.676 -11.397
 1492    HD3  PRO  43           HD3      PRO  43  10.774   0.949 -11.034
 1493    H    SER  44           H        SER  44  11.083   4.430 -10.175
 1494    HA   SER  44           HA       SER  44  12.243   7.006  -9.958
 1495    HB2  SER  44           HB2      SER  44   9.763   7.625  -9.561
 1496    HB3  SER  44           HB3      SER  44  10.195   6.903 -11.112
 1497    HG   SER  44           HG       SER  44   8.314   5.968 -10.052
 1498    H    PHE  45           H        PHE  45  10.593   4.864  -7.701
 1499    HA   PHE  45           HA       PHE  45  10.542   6.826  -5.583
 1500    HB2  PHE  45           HB2      PHE  45   9.993   3.893  -5.195
 1501    HB3  PHE  45           HB3      PHE  45   9.281   5.271  -4.368
 1502    HD1  PHE  45           HD1      PHE  45   8.108   6.957  -6.268
 1503    HD2  PHE  45           HD2      PHE  45   8.531   2.723  -6.437
 1504    HE1  PHE  45           HE1      PHE  45   6.162   6.816  -7.769
 1505    HE2  PHE  45           HE2      PHE  45   6.600   2.579  -7.942
 1506    HZ   PHE  45           HZ       PHE  45   5.412   4.619  -8.611
 1507    H    LEU  46           H        LEU  46  13.154   5.751  -6.718
 1508    HA   LEU  46           HA       LEU  46  14.260   4.846  -4.166
 1509    HB2  LEU  46           HB2      LEU  46  15.673   5.129  -6.821
 1510    HB3  LEU  46           HB3      LEU  46  16.327   4.402  -5.366
 1511    HG   LEU  46           HG       LEU  46  14.271   3.321  -7.250
 1512   HD11  LEU  46          HD11      LEU  46  16.743   2.155  -5.991
 1513   HD12  LEU  46          HD12      LEU  46  15.675   1.324  -7.122
 1514   HD13  LEU  46          HD13      LEU  46  16.584   2.741  -7.647
 1515   HD21  LEU  46          HD21      LEU  46  14.609   2.551  -4.354
 1516   HD22  LEU  46          HD22      LEU  46  13.145   3.057  -5.194
 1517   HD23  LEU  46          HD23      LEU  46  13.872   1.496  -5.563
 1518    H    GLY  47           H        GLY  47  13.968   7.558  -6.237
 1519    HA2  GLY  47           HA2      GLY  47  14.523   9.763  -5.972
 1520    HA3  GLY  47           HA3      GLY  47  14.953   9.391  -4.316
 1521    H    LYS  48           H        LYS  48  16.986   7.486  -4.974
 1522    HA   LYS  48           HA       LYS  48  18.891   9.007  -6.603
 1523    HB2  LYS  48           HB2      LYS  48  19.366   9.518  -4.241
 1524    HB3  LYS  48           HB3      LYS  48  19.478   7.802  -3.883
 1525    HG2  LYS  48           HG2      LYS  48  21.680   8.768  -4.047
 1526    HG3  LYS  48           HG3      LYS  48  21.423   7.635  -5.373
 1527    HD2  LYS  48           HD2      LYS  48  20.913   9.509  -6.869
 1528    HD3  LYS  48           HD3      LYS  48  21.185  10.639  -5.540
 1529    HE2  LYS  48           HE2      LYS  48  23.139  10.492  -6.998
 1530    HE3  LYS  48           HE3      LYS  48  23.501   9.910  -5.374
 1531    HZ1  LYS  48           HZ1      LYS  48  24.421   8.486  -7.132
 1532    HZ2  LYS  48           HZ2      LYS  48  22.851   8.161  -7.688
 1533    HZ3  LYS  48           HZ3      LYS  48  23.325   7.651  -6.142
 1534    H    ARG  49           H        ARG  49  19.211   6.098  -4.622
 1535    HA   ARG  49           HA       ARG  49  18.792   4.127  -6.501
 1536    HB2  ARG  49           HB2      ARG  49  20.715   5.297  -7.687
 1537    HB3  ARG  49           HB3      ARG  49  21.743   4.778  -6.358
 1538    HG2  ARG  49           HG2      ARG  49  21.883   3.317  -8.344
 1539    HG3  ARG  49           HG3      ARG  49  21.357   2.466  -6.889
 1540    HD2  ARG  49           HD2      ARG  49  19.062   2.550  -7.620
 1541    HD3  ARG  49           HD3      ARG  49  19.502   3.535  -9.014
 1542    HE   ARG  49           HE       ARG  49  20.824   0.966  -8.891
 1543   HH11  ARG  49          HH12      ARG  49  18.041   2.771 -10.033
 1544   HH12  ARG  49          HH11      ARG  49  17.615   1.603 -11.253
 1545   HH21  ARG  49          HH22      ARG  49  20.287  -0.569 -10.522
 1546   HH22  ARG  49          HH21      ARG  49  18.903  -0.282 -11.545
 1547    H    THR  50           H        THR  50  19.191   2.086  -5.625
 1548    HA   THR  50           HA       THR  50  19.548   2.086  -2.780
 1549    HB   THR  50           HB       THR  50  19.161  -0.413  -3.095
 1550    HG1  THR  50           HG1      THR  50  19.719  -0.610  -5.269
 1551   HG21  THR  50          HG21      THR  50  17.073   1.517  -4.113
 1552   HG22  THR  50          HG22      THR  50  17.384   1.130  -2.422
 1553   HG23  THR  50          HG23      THR  50  16.761  -0.110  -3.510
 1554    H    ASP  51           H        ASP  51  21.655   2.424  -2.207
 1555    HA   ASP  51           HA       ASP  51  23.721   0.696  -3.358
 1556    HB2  ASP  51           HB2      ASP  51  24.018   2.954  -1.372
 1557    HB3  ASP  51           HB3      ASP  51  25.331   2.064  -2.118
 1558    H    GLU  52           H        GLU  52  25.452   0.282  -1.366
 1559    HA   GLU  52           HA       GLU  52  24.045  -1.813   0.030
 1560    HB2  GLU  52           HB2      GLU  52  26.925  -1.129  -0.405
 1561    HB3  GLU  52           HB3      GLU  52  26.474  -2.299   0.827
 1562    HG2  GLU  52           HG2      GLU  52  27.071  -3.381  -1.265
 1563    HG3  GLU  52           HG3      GLU  52  25.390  -3.677  -0.836
 1564    H    ALA  53           H        ALA  53  26.043   0.989   0.952
 1565    HA   ALA  53           HA       ALA  53  25.907   0.491   3.741
 1566    HB1  ALA  53           HB1      ALA  53  27.633   1.902   2.755
 1567    HB2  ALA  53           HB2      ALA  53  26.411   3.091   2.301
 1568    HB3  ALA  53           HB3      ALA  53  26.739   2.770   4.004
 1569    H    ALA  54           H        ALA  54  23.737   1.927   1.509
 1570    HA   ALA  54           HA       ALA  54  22.070   3.094   3.581
 1571    HB1  ALA  54           HB1      ALA  54  22.252   4.287   1.502
 1572    HB2  ALA  54           HB2      ALA  54  21.733   2.855   0.608
 1573    HB3  ALA  54           HB3      ALA  54  20.600   3.683   1.677
 1574    H    PHE  55           H        PHE  55  22.123   0.295   1.435
 1575    HA   PHE  55           HA       PHE  55  19.453  -0.499   1.961
 1576    HB2  PHE  55           HB2      PHE  55  21.264  -1.273   0.113
 1577    HB3  PHE  55           HB3      PHE  55  21.356  -2.633   1.231
 1578    HD1  PHE  55           HD1      PHE  55  19.082  -3.646   1.973
 1579    HD2  PHE  55           HD2      PHE  55  19.617  -1.240  -1.493
 1580    HE1  PHE  55           HE1      PHE  55  16.992  -4.537   1.036
 1581    HE2  PHE  55           HE2      PHE  55  17.528  -2.123  -2.432
 1582    HZ   PHE  55           HZ       PHE  55  16.212  -3.775  -1.168
 1583    H    GLN  56           H        GLN  56  22.467  -1.077   3.632
 1584    HA   GLN  56           HA       GLN  56  21.595  -3.188   5.282
 1585    HB2  GLN  56           HB2      GLN  56  23.376  -2.541   6.811
 1586    HB3  GLN  56           HB3      GLN  56  23.954  -2.481   5.153
 1587    HG2  GLN  56           HG2      GLN  56  23.592  -0.033   5.172
 1588    HG3  GLN  56           HG3      GLN  56  23.165  -0.149   6.877
 1589   HE21  GLN  56          HE21      GLN  56  25.639  -2.105   5.379
 1590   HE22  GLN  56          HE22      GLN  56  26.986  -1.357   6.176
 1591    H    LYS  57           H        LYS  57  20.966   0.200   5.257
 1592    HA   LYS  57           HA       LYS  57  19.555   0.191   7.789
 1593    HB2  LYS  57           HB2      LYS  57  19.708   2.287   5.609
 1594    HB3  LYS  57           HB3      LYS  57  18.984   2.517   7.194
 1595    HG2  LYS  57           HG2      LYS  57  21.082   2.390   8.272
 1596    HG3  LYS  57           HG3      LYS  57  21.874   1.798   6.808
 1597    HD2  LYS  57           HD2      LYS  57  21.526   3.906   5.706
 1598    HD3  LYS  57           HD3      LYS  57  20.574   4.522   7.066
 1599    HE2  LYS  57           HE2      LYS  57  22.611   4.258   8.492
 1600    HE3  LYS  57           HE3      LYS  57  23.516   3.816   7.045
 1601    HZ1  LYS  57           HZ1      LYS  57  22.136   6.401   7.533
 1602    HZ2  LYS  57           HZ2      LYS  57  22.928   5.981   6.091
 1603    HZ3  LYS  57           HZ3      LYS  57  23.815   6.142   7.532
 1604    H    LEU  58           H        LEU  58  18.870   0.266   4.323
 1605    HA   LEU  58           HA       LEU  58  16.169   0.795   4.346
 1606    HB2  LEU  58           HB2      LEU  58  17.489   0.685   2.288
 1607    HB3  LEU  58           HB3      LEU  58  17.607  -1.061   2.454
 1608    HG   LEU  58           HG       LEU  58  15.152  -1.235   2.253
 1609   HD11  LEU  58          HD11      LEU  58  13.818   0.637   1.682
 1610   HD12  LEU  58          HD12      LEU  58  14.721   1.050   3.137
 1611   HD13  LEU  58          HD13      LEU  58  15.229   1.691   1.570
 1612   HD21  LEU  58          HD21      LEU  58  16.598  -1.395   0.249
 1613   HD22  LEU  58          HD22      LEU  58  14.971  -0.790  -0.085
 1614   HD23  LEU  58          HD23      LEU  58  16.337   0.328  -0.028
 1615    H    MET  59           H        MET  59  17.581  -2.482   4.197
 1616    HA   MET  59           HA       MET  59  15.225  -3.898   4.517
 1617    HB2  MET  59           HB2      MET  59  17.199  -5.108   3.990
 1618    HB3  MET  59           HB3      MET  59  18.021  -4.536   5.435
 1619    HG2  MET  59           HG2      MET  59  17.263  -6.911   5.518
 1620    HG3  MET  59           HG3      MET  59  16.688  -5.899   6.842
 1621    HE1  MET  59           HE1      MET  59  15.535  -6.162   3.141
 1622    HE2  MET  59           HE2      MET  59  15.638  -7.878   3.563
 1623    HE3  MET  59           HE3      MET  59  14.062  -7.137   3.257
 1624    H    SER  60           H        SER  60  17.294  -2.478   6.996
 1625    HA   SER  60           HA       SER  60  15.832  -3.574   9.178
 1626    HB2  SER  60           HB2      SER  60  18.198  -2.918   9.333
 1627    HB3  SER  60           HB3      SER  60  17.746  -1.232   9.093
 1628    HG   SER  60           HG       SER  60  16.335  -1.655  11.038
 1629    H    ASN  61           H        ASN  61  15.187  -1.061   7.016
 1630    HA   ASN  61           HA       ASN  61  13.484   0.413   8.864
 1631    HB2  ASN  61           HB2      ASN  61  14.397   0.888   6.048
 1632    HB3  ASN  61           HB3      ASN  61  13.041   1.781   6.729
 1633   HD21  ASN  61          HD21      ASN  61  14.225   3.713   6.530
 1634   HD22  ASN  61          HD22      ASN  61  15.487   4.115   7.648
 1635    H    LEU  62           H        LEU  62  13.343  -2.080   6.530
 1636    HA   LEU  62           HA       LEU  62  10.400  -1.960   6.570
 1637    HB2  LEU  62           HB2      LEU  62  12.311  -3.155   4.584
 1638    HB3  LEU  62           HB3      LEU  62  10.636  -3.651   4.656
 1639    HG   LEU  62           HG       LEU  62  10.729  -2.094   2.943
 1640   HD11  LEU  62          HD11      LEU  62   8.850  -1.717   4.415
 1641   HD12  LEU  62          HD12      LEU  62   9.828  -0.618   5.401
 1642   HD13  LEU  62          HD13      LEU  62   9.421  -0.190   3.739
 1643   HD21  LEU  62          HD21      LEU  62  11.778   0.084   3.099
 1644   HD22  LEU  62          HD22      LEU  62  12.313  -0.289   4.739
 1645   HD23  LEU  62          HD23      LEU  62  12.933  -1.222   3.373
 1646    H    ASP  63           H        ASP  63  12.613  -3.244   8.384
 1647    HA   ASP  63           HA       ASP  63  11.109  -5.729   8.697
 1648    HB2  ASP  63           HB2      ASP  63  13.083  -6.356   7.420
 1649    HB3  ASP  63           HB3      ASP  63  14.126  -5.571   8.600
 1650    H    SER  64           H        SER  64  10.138  -5.128  10.503
 1651    HA   SER  64           HA       SER  64  11.673  -4.013  12.701
 1652    HB2  SER  64           HB2      SER  64   8.720  -4.653  12.531
 1653    HB3  SER  64           HB3      SER  64   9.514  -3.668  13.762
 1654    HG   SER  64           HG       SER  64   8.730  -3.010  11.205
 1655    H    ASN  65           H        ASN  65  11.093  -7.032  11.527
 1656    HA   ASN  65           HA       ASN  65  10.883  -8.319  14.157
 1657    HB2  ASN  65           HB2      ASN  65   9.446  -9.130  12.290
 1658    HB3  ASN  65           HB3      ASN  65  10.892  -9.542  11.383
 1659   HD21  ASN  65          HD21      ASN  65  11.965 -11.393  11.825
 1660   HD22  ASN  65          HD22      ASN  65  11.426 -12.563  12.984
 1661    H    ARG  66           H        ARG  66  13.032  -7.581  11.609
 1662    HA   ARG  66           HA       ARG  66  15.252  -7.654  11.372
 1663    HB2  ARG  66           HB2      ARG  66  15.190  -8.217  14.331
 1664    HB3  ARG  66           HB3      ARG  66  16.668  -7.931  13.417
 1665    HG2  ARG  66           HG2      ARG  66  15.761  -5.721  12.745
 1666    HG3  ARG  66           HG3      ARG  66  14.382  -6.012  13.807
 1667    HD2  ARG  66           HD2      ARG  66  17.266  -5.954  14.679
 1668    HD3  ARG  66           HD3      ARG  66  16.128  -4.620  14.853
 1669    HE   ARG  66           HE       ARG  66  14.832  -6.562  16.141
 1670   HH11  ARG  66          HH12      ARG  66  18.208  -5.632  16.267
 1671   HH12  ARG  66          HH11      ARG  66  18.390  -6.043  17.947
 1672   HH21  ARG  66          HH22      ARG  66  15.058  -7.066  18.355
 1673   HH22  ARG  66          HH21      ARG  66  16.592  -6.840  19.142
 1674    H    ASP  67           H        ASP  67  14.460  -9.632  10.140
 1675    HA   ASP  67           HA       ASP  67  16.441 -11.674  10.888
 1676    HB2  ASP  67           HB2      ASP  67  15.058 -13.439   9.826
 1677    HB3  ASP  67           HB3      ASP  67  14.322 -12.758  11.268
 1678    H    ASN  68           H        ASN  68  16.149  -9.227   9.125
 1679    HA   ASN  68           HA       ASN  68  17.421  -8.491   7.378
 1680    HB2  ASN  68           HB2      ASN  68  18.907 -10.497   7.973
 1681    HB3  ASN  68           HB3      ASN  68  18.107 -11.302   6.644
 1682   HD21  ASN  68          HD21      ASN  68  19.993 -11.502   5.477
 1683   HD22  ASN  68          HD22      ASN  68  20.741 -10.148   4.697
 1684    H    GLU  69           H        GLU  69  14.647  -9.874   7.279
 1685    HA   GLU  69           HA       GLU  69  14.311  -9.689   4.410
 1686    HB2  GLU  69           HB2      GLU  69  13.286 -12.134   5.836
 1687    HB3  GLU  69           HB3      GLU  69  13.386 -11.843   4.108
 1688    HG2  GLU  69           HG2      GLU  69  15.946 -11.800   4.501
 1689    HG3  GLU  69           HG3      GLU  69  15.550 -12.582   6.027
 1690    H    VAL  70           H        VAL  70  12.220  -9.241   3.797
 1691    HA   VAL  70           HA       VAL  70  10.583  -8.108   5.921
 1692    HB   VAL  70           HB       VAL  70  10.743  -7.673   2.952
 1693   HG11  VAL  70          HG11      VAL  70   8.619  -6.598   4.799
 1694   HG12  VAL  70          HG12      VAL  70   8.880  -6.107   3.126
 1695   HG13  VAL  70          HG13      VAL  70   8.360  -7.752   3.491
 1696   HG21  VAL  70          HG21      VAL  70  11.181  -5.406   3.624
 1697   HG22  VAL  70          HG22      VAL  70  10.899  -5.835   5.315
 1698   HG23  VAL  70          HG23      VAL  70  12.287  -6.506   4.448
 1699    H    ASP  71           H        ASP  71   8.747  -8.925   6.576
 1700    HA   ASP  71           HA       ASP  71   7.618 -11.268   5.280
 1701    HB2  ASP  71           HB2      ASP  71   7.976 -11.078   7.783
 1702    HB3  ASP  71           HB3      ASP  71   6.669  -9.897   7.806
 1703    H    PHE  72           H        PHE  72   4.892 -11.015   5.826
 1704    HA   PHE  72           HA       PHE  72   4.273  -9.780   3.364
 1705    HB2  PHE  72           HB2      PHE  72   3.139 -11.786   4.645
 1706    HB3  PHE  72           HB3      PHE  72   2.088 -10.512   5.253
 1707    HD1  PHE  72           HD2      PHE  72   2.775  -9.067   2.364
 1708    HD2  PHE  72           HD1      PHE  72   0.936 -12.661   3.709
 1709    HE1  PHE  72           HE2      PHE  72   1.486  -9.175   0.273
 1710    HE2  PHE  72           HE1      PHE  72  -0.360 -12.780   1.622
 1711    HZ   PHE  72           HZ       PHE  72  -0.088 -11.037  -0.099
 1712    H    GLN  73           H        GLN  73   3.204  -8.841   6.696
 1713    HA   GLN  73           HA       GLN  73   1.729  -6.622   5.661
 1714    HB2  GLN  73           HB2      GLN  73   1.491  -7.812   8.003
 1715    HB3  GLN  73           HB3      GLN  73   2.679  -6.619   8.503
 1716    HG2  GLN  73           HG2      GLN  73   1.194  -4.840   7.648
 1717    HG3  GLN  73           HG3      GLN  73  -0.031  -6.073   7.355
 1718   HE21  GLN  73          HE21      GLN  73   1.709  -4.254   9.739
 1719   HE22  GLN  73          HE22      GLN  73   0.715  -4.702  11.086
 1720    H    GLU  74           H        GLU  74   5.015  -7.067   6.844
 1721    HA   GLU  74           HA       GLU  74   5.618  -4.293   6.994
 1722    HB2  GLU  74           HB2      GLU  74   6.817  -6.485   7.966
 1723    HB3  GLU  74           HB3      GLU  74   7.787  -6.259   6.518
 1724    HG2  GLU  74           HG2      GLU  74   8.990  -5.067   8.046
 1725    HG3  GLU  74           HG3      GLU  74   7.975  -3.799   7.356
 1726    H    TYR  75           H        TYR  75   5.651  -6.724   4.507
 1727    HA   TYR  75           HA       TYR  75   7.094  -5.274   2.539
 1728    HB2  TYR  75           HB2      TYR  75   6.730  -7.673   2.291
 1729    HB3  TYR  75           HB3      TYR  75   4.985  -7.438   2.255
 1730    HD1  TYR  75           HD2      TYR  75   3.967  -6.263   0.263
 1731    HD2  TYR  75           HD1      TYR  75   8.030  -7.512   0.344
 1732    HE1  TYR  75           HE2      TYR  75   4.065  -6.040  -2.185
 1733    HE2  TYR  75           HE1      TYR  75   8.145  -7.294  -2.107
 1734    HH   TYR  75           HH       TYR  75   6.668  -7.275  -4.028
 1735    H    CYS  76           H        CYS  76   3.755  -5.318   3.563
 1736    HA   CYS  76           HA       CYS  76   2.960  -3.773   1.269
 1737    HB2  CYS  76           HB2      CYS  76   1.307  -4.615   3.651
 1738    HB3  CYS  76           HB3      CYS  76   0.699  -4.046   2.097
 1739    HG   CYS  76           HG       CYS  76   2.418  -6.970   2.590
 1740    H    VAL  77           H        VAL  77   3.282  -3.263   4.783
 1741    HA   VAL  77           HA       VAL  77   2.444  -0.576   4.796
 1742    HB   VAL  77           HB       VAL  77   2.848  -1.728   6.903
 1743   HG11  VAL  77          HG11      VAL  77   5.679  -1.851   5.922
 1744   HG12  VAL  77          HG12      VAL  77   5.201  -2.186   7.595
 1745   HG13  VAL  77          HG13      VAL  77   4.587  -3.191   6.280
 1746   HG21  VAL  77          HG21      VAL  77   3.129   0.716   6.936
 1747   HG22  VAL  77          HG22      VAL  77   4.190  -0.076   8.102
 1748   HG23  VAL  77          HG23      VAL  77   4.850   0.519   6.578
 1749    H    PHE  78           H        PHE  78   5.536  -2.094   4.091
 1750    HA   PHE  78           HA       PHE  78   7.207  -0.055   3.459
 1751    HB2  PHE  78           HB2      PHE  78   7.995  -2.230   3.092
 1752    HB3  PHE  78           HB3      PHE  78   6.593  -2.677   2.131
 1753    HD1  PHE  78           HD1      PHE  78   9.796  -0.938   2.143
 1754    HD2  PHE  78           HD2      PHE  78   6.510  -2.257  -0.219
 1755    HE1  PHE  78           HE1      PHE  78  11.102  -0.530   0.085
 1756    HE2  PHE  78           HE2      PHE  78   7.796  -1.845  -2.275
 1757    HZ   PHE  78           HZ       PHE  78  10.108  -0.983  -2.120
 1758    H    LEU  79           H        LEU  79   4.580  -1.312   1.492
 1759    HA   LEU  79           HA       LEU  79   5.002   0.369  -0.705
 1760    HB2  LEU  79           HB2      LEU  79   2.843  -1.442   0.195
 1761    HB3  LEU  79           HB3      LEU  79   2.486  -0.302  -1.090
 1762    HG   LEU  79           HG       LEU  79   4.940  -1.561  -1.732
 1763   HD11  LEU  79          HD11      LEU  79   4.013  -3.890  -2.005
 1764   HD12  LEU  79          HD12      LEU  79   4.480  -3.419  -0.369
 1765   HD13  LEU  79          HD13      LEU  79   2.781  -3.436  -0.828
 1766   HD21  LEU  79          HD21      LEU  79   3.094  -0.531  -3.103
 1767   HD22  LEU  79          HD22      LEU  79   3.842  -2.029  -3.726
 1768   HD23  LEU  79          HD23      LEU  79   2.252  -2.085  -2.935
 1769    H    SER  80           H        SER  80   2.789   0.573   2.018
 1770    HA   SER  80           HA       SER  80   1.509   2.907   0.983
 1771    HB2  SER  80           HB2      SER  80   0.669   2.914   3.475
 1772    HB3  SER  80           HB3      SER  80   0.116   1.693   2.327
 1773    HG   SER  80           HG       SER  80   0.790   0.390   3.847
 1774    H    CYS  81           H        CYS  81   4.220   2.204   2.962
 1775    HA   CYS  81           HA       CYS  81   4.646   4.830   3.937
 1776    HB2  CYS  81           HB2      CYS  81   6.488   2.466   3.627
 1777    HB3  CYS  81           HB3      CYS  81   6.947   3.979   4.409
 1778    HG   CYS  81           HG       CYS  81   4.632   1.711   5.445
 1779    H    ILE  82           H        ILE  82   5.156   3.340   0.870
 1780    HA   ILE  82           HA       ILE  82   6.920   5.466   0.004
 1781    HB   ILE  82           HB       ILE  82   5.410   3.421  -1.659
 1782   HG12  ILE  82          HG12      ILE  82   8.160   3.535  -0.468
 1783   HG13  ILE  82          HG13      ILE  82   7.042   2.178  -0.578
 1784   HG21  ILE  82          HG21      ILE  82   7.548   5.407  -2.459
 1785   HG22  ILE  82          HG22      ILE  82   6.850   4.166  -3.502
 1786   HG23  ILE  82          HG23      ILE  82   5.841   5.485  -2.904
 1787   HD11  ILE  82          HD11      ILE  82   8.670   3.356  -2.822
 1788   HD12  ILE  82          HD12      ILE  82   8.941   1.811  -2.015
 1789   HD13  ILE  82          HD13      ILE  82   7.492   2.043  -3.000
 1790    H    ALA  83           H        ALA  83   3.554   4.502  -0.543
 1791    HA   ALA  83           HA       ALA  83   2.799   6.687  -2.113
 1792    HB1  ALA  83           HB1      ALA  83   1.536   4.567  -1.822
 1793    HB2  ALA  83           HB2      ALA  83   1.025   5.145  -0.237
 1794    HB3  ALA  83           HB3      ALA  83   0.543   6.024  -1.691
 1795    H    MET  84           H        MET  84   2.297   6.187   1.378
 1796    HA   MET  84           HA       MET  84   1.225   8.790   1.822
 1797    HB2  MET  84           HB2      MET  84   0.626   6.959   3.236
 1798    HB3  MET  84           HB3      MET  84   2.303   6.714   3.688
 1799    HG2  MET  84           HG2      MET  84   2.193   9.088   4.643
 1800    HG3  MET  84           HG3      MET  84   0.438   8.901   4.507
 1801    HE1  MET  84           HE1      MET  84   2.235   5.749   4.689
 1802    HE2  MET  84           HE2      MET  84   3.528   6.699   5.463
 1803    HE3  MET  84           HE3      MET  84   2.660   5.444   6.401
 1804    H    MET  85           H        MET  85   4.431   7.525   1.672
 1805    HA   MET  85           HA       MET  85   5.689   9.757   2.906
 1806    HB2  MET  85           HB2      MET  85   6.784   7.580   2.470
 1807    HB3  MET  85           HB3      MET  85   6.781   7.976   0.747
 1808    HG2  MET  85           HG2      MET  85   7.891  10.192   1.754
 1809    HG3  MET  85           HG3      MET  85   8.456   9.010   2.922
 1810    HE1  MET  85           HE1      MET  85  10.389   6.757   1.862
 1811    HE2  MET  85           HE2      MET  85   8.609   6.680   1.892
 1812    HE3  MET  85           HE3      MET  85   9.509   6.255   0.408
 1813    H    CYS  86           H        CYS  86   4.754   8.863  -0.354
 1814    HA   CYS  86           HA       CYS  86   5.642  11.162  -1.716
 1815    HB2  CYS  86           HB2      CYS  86   5.067   9.054  -2.837
 1816    HB3  CYS  86           HB3      CYS  86   3.384   9.250  -2.363
 1817    HG   CYS  86           HG       CYS  86   4.936  10.378  -5.021
 1818    H    ASN  87           H        ASN  87   2.917  10.548   0.280
 1819    HA   ASN  87           HA       ASN  87   1.069  12.449  -0.310
 1820    HB2  ASN  87           HB2      ASN  87   0.959  10.908   1.619
 1821    HB3  ASN  87           HB3      ASN  87   2.182  11.862   2.445
 1822   HD21  ASN  87          HD21      ASN  87   0.871  12.312   4.174
 1823   HD22  ASN  87          HD22      ASN  87  -0.478  13.385   4.068
 1824    H    GLU  88           H        GLU  88   4.212  13.018   1.252
 1825    HA   GLU  88           HA       GLU  88   3.763  15.806   1.677
 1826    HB2  GLU  88           HB2      GLU  88   6.361  14.263   1.520
 1827    HB3  GLU  88           HB3      GLU  88   6.201  15.921   2.080
 1828    HG2  GLU  88           HG2      GLU  88   4.670  15.054   3.872
 1829    HG3  GLU  88           HG3      GLU  88   5.144  13.428   3.373
 1830    H    PHE  89           H        PHE  89   4.938  13.889  -0.964
 1831    HA   PHE  89           HA       PHE  89   6.197  16.160  -2.266
 1832    HB2  PHE  89           HB2      PHE  89   6.050  13.233  -3.004
 1833    HB3  PHE  89           HB3      PHE  89   6.950  14.451  -3.909
 1834    HD1  PHE  89           HD2      PHE  89   8.946  15.494  -2.946
 1835    HD2  PHE  89           HD1      PHE  89   6.866  12.378  -0.928
 1836    HE1  PHE  89           HE2      PHE  89  10.889  15.157  -1.474
 1837    HE2  PHE  89           HE1      PHE  89   8.804  12.036   0.549
 1838    HZ   PHE  89           HZ       PHE  89  10.819  13.426   0.277
 1839    H    PHE  90           H        PHE  90   4.051  13.589  -3.486
 1840    HA   PHE  90           HA       PHE  90   3.316  15.092  -5.782
 1841    HB2  PHE  90           HB2      PHE  90   3.373  12.625  -5.711
 1842    HB3  PHE  90           HB3      PHE  90   2.021  12.632  -4.584
 1843    HD1  PHE  90           HD1      PHE  90   3.059  13.333  -8.044
 1844    HD2  PHE  90           HD2      PHE  90  -0.213  12.919  -5.356
 1845    HE1  PHE  90           HE1      PHE  90   1.508  13.266  -9.951
 1846    HE2  PHE  90           HE2      PHE  90  -1.770  12.851  -7.259
 1847    HZ   PHE  90           HZ       PHE  90  -0.912  13.022  -9.560
 1848    H    GLU  91           H        GLU  91   1.347  13.952  -3.052
 1849    HA   GLU  91           HA       GLU  91  -0.863  15.626  -3.535
 1850    HB2  GLU  91           HB2      GLU  91  -1.409  13.913  -2.123
 1851    HB3  GLU  91           HB3      GLU  91   0.136  13.952  -1.296
 1852    HG2  GLU  91           HG2      GLU  91  -1.677  14.547   0.187
 1853    HG3  GLU  91           HG3      GLU  91  -0.575  15.899  -0.030
 1854    H    GLY  92           H        GLY  92   1.993  15.997  -1.492
 1855    HA2  GLY  92           HA2      GLY  92   3.106  17.975  -0.985
 1856    HA3  GLY  92           HA3      GLY  92   1.803  18.875  -1.750
 1857    H    PHE  93           H        PHE  93   1.127  16.446   0.642
 1858    HA   PHE  93           HA       PHE  93   0.534  18.593   2.574
 1859    HB2  PHE  93           HB2      PHE  93  -1.516  17.545   1.622
 1860    HB3  PHE  93           HB3      PHE  93  -0.980  15.989   2.243
 1861    HD1  PHE  93           HD1      PHE  93  -1.916  19.421   3.302
 1862    HD2  PHE  93           HD2      PHE  93  -1.526  15.330   4.411
 1863    HE1  PHE  93           HE1      PHE  93  -3.049  19.893   5.434
 1864    HE2  PHE  93           HE2      PHE  93  -2.657  15.798   6.544
 1865    HZ   PHE  93           HZ       PHE  93  -3.419  18.081   7.058
 1866    HA   PRO  94           HA       PRO  94   3.376  15.861   4.829
 1867    HB2  PRO  94           HB2      PRO  94   4.997  18.053   5.517
 1868    HB3  PRO  94           HB3      PRO  94   5.319  16.886   4.236
 1869    HG2  PRO  94           HG2      PRO  94   4.737  19.623   3.912
 1870    HG3  PRO  94           HG3      PRO  94   4.804  18.397   2.637
 1871    HD2  PRO  94           HD2      PRO  94   2.443  19.550   4.031
 1872    HD3  PRO  94           HD3      PRO  94   2.596  18.934   2.374
 1873    H    ASP  95           H        ASP  95   1.035  16.413   5.887
 1874    HA   ASP  95           HA       ASP  95  -0.246  17.208   7.591
 1875    HB2  ASP  95           HB2      ASP  95   1.305  15.813   8.895
 1876    HB3  ASP  95           HB3      ASP  95   2.418  17.167   9.025
 1877    H    LYS  96           H        LYS  96   0.007  19.071   5.899
 1878    HA   LYS  96           HA       LYS  96  -0.185  21.288   5.552
 1879    HB2  LYS  96           HB2      LYS  96  -1.263  21.502   7.701
 1880    HB3  LYS  96           HB3      LYS  96   0.300  21.543   8.505
 1881    HG2  LYS  96           HG2      LYS  96   0.806  23.641   7.259
 1882    HG3  LYS  96           HG3      LYS  96  -0.852  23.617   6.657
 1883    HD2  LYS  96           HD2      LYS  96  -1.721  23.789   8.890
 1884    HD3  LYS  96           HD3      LYS  96  -0.103  23.624   9.576
 1885    HE2  LYS  96           HE2      LYS  96   0.551  25.720   8.456
 1886    HE3  LYS  96           HE3      LYS  96  -1.099  25.892   7.858
 1887    HZ1  LYS  96           HZ1      LYS  96  -0.400  25.722  10.733
 1888    HZ2  LYS  96           HZ2      LYS  96  -1.907  26.118  10.065
 1889    HZ3  LYS  96           HZ3      LYS  96  -0.598  27.182   9.899
 1890    H    GLN  97           H        GLN  97   2.225  21.437   8.061
 1891    HA   GLN  97           HA       GLN  97   3.913  23.055   6.371
 1892    HB2  GLN  97           HB2      GLN  97   4.265  22.088   9.208
 1893    HB3  GLN  97           HB3      GLN  97   5.420  23.118   8.373
 1894    HG2  GLN  97           HG2      GLN  97   2.558  23.789   9.012
 1895    HG3  GLN  97           HG3      GLN  97   3.994  24.438   9.801
 1896   HE21  GLN  97          HE21      GLN  97   5.291  25.911   8.687
 1897   HE22  GLN  97          HE22      GLN  97   4.714  26.774   7.301
 1898    HA   PRO  98           HA       PRO  98   6.103  19.737   4.468
 1899    HB2  PRO  98           HB2      PRO  98   8.240  21.809   4.330
 1900    HB3  PRO  98           HB3      PRO  98   7.566  20.795   3.047
 1901    HG2  PRO  98           HG2      PRO  98   6.892  23.356   3.223
 1902    HG3  PRO  98           HG3      PRO  98   5.677  22.131   2.809
 1903    HD2  PRO  98           HD2      PRO  98   6.139  23.547   5.399
 1904    HD3  PRO  98           HD3      PRO  98   4.611  23.075   4.628
 1905    H    ARG  99           H        ARG  99   7.015  18.126   5.530
 1906    HA   ARG  99           HA       ARG  99   8.930  18.680   7.670
 1907    HB2  ARG  99           HB2      ARG  99   7.514  16.134   6.851
 1908    HB3  ARG  99           HB3      ARG  99   8.679  16.240   8.164
 1909    HG2  ARG  99           HG2      ARG  99   6.061  17.723   8.014
 1910    HG3  ARG  99           HG3      ARG  99   6.387  16.289   8.992
 1911    HD2  ARG  99           HD2      ARG  99   8.098  17.514  10.226
 1912    HD3  ARG  99           HD3      ARG  99   7.802  18.940   9.235
 1913    HE   ARG  99           HE       ARG  99   5.392  18.622  10.229
 1914   HH11  ARG  99          HH12      ARG  99   8.473  18.191  11.843
 1915   HH12  ARG  99          HH11      ARG  99   7.878  18.711  13.393
 1916   HH21  ARG  99          HH22      ARG  99   4.602  19.319  12.261
 1917   HH22  ARG  99          HH21      ARG  99   5.674  19.349  13.631
 1918    H    LYS 100           H        LYS 100   8.636  16.289   5.039
 1919    HA   LYS 100           HA       LYS 100  11.540  16.580   4.602
 1920    HB2  LYS 100           HB2      LYS 100   9.662  14.289   4.032
 1921    HB3  LYS 100           HB3      LYS 100  11.297  14.366   3.390
 1922    HG2  LYS 100           HG2      LYS 100  10.571  14.375   6.313
 1923    HG3  LYS 100           HG3      LYS 100  11.150  12.979   5.401
 1924    HD2  LYS 100           HD2      LYS 100  13.230  14.220   4.896
 1925    HD3  LYS 100           HD3      LYS 100  12.652  15.550   5.900
 1926    HE2  LYS 100           HE2      LYS 100  13.130  12.728   6.850
 1927    HE3  LYS 100           HE3      LYS 100  14.243  14.075   7.076
 1928    HZ1  LYS 100           HZ1      LYS 100  12.919  13.691   9.047
 1929    HZ2  LYS 100           HZ2      LYS 100  11.481  13.903   8.170
 1930    HZ3  LYS 100           HZ3      LYS 100  12.549  15.205   8.383
 1931    H    LYS 101           H        LYS 101   8.819  17.812   3.530
 1932    HA   LYS 101           HA       LYS 101   9.195  17.570   0.676
 1933    HB2  LYS 101           HB2      LYS 101   6.954  17.836   1.863
 1934    HB3  LYS 101           HB3      LYS 101   7.405  19.507   2.156
 1935    HG2  LYS 101           HG2      LYS 101   7.333  18.367  -0.615
 1936    HG3  LYS 101           HG3      LYS 101   5.882  18.981   0.172
 1937    HD2  LYS 101           HD2      LYS 101   7.048  21.157   0.487
 1938    HD3  LYS 101           HD3      LYS 101   8.403  20.519  -0.447
 1939    HE2  LYS 101           HE2      LYS 101   6.927  20.179  -2.364
 1940    HE3  LYS 101           HE3      LYS 101   5.563  20.789  -1.431
 1941    HZ1  LYS 101           HZ1      LYS 101   6.372  22.527  -2.821
 1942    HZ2  LYS 101           HZ2      LYS 101   7.963  22.313  -2.286
 1943    HZ3  LYS 101           HZ3      LYS 101   6.789  22.917  -1.222
  Start of MODEL   12
    1    H1   GLN1897           H1       GLN1897 -19.758 -12.258   0.155
    2    H2   GLN1897           H2       GLN1897 -20.091 -11.663   1.706
    3    H3   GLN1897           H3       GLN1897 -18.563 -12.306   1.358
    4    HA   GLN1897           HA       GLN1897 -18.186 -10.530  -0.253
    5    HB2  GLN1897           HB2      GLN1897 -20.537 -10.060  -0.763
    6    HB3  GLN1897           HB3      GLN1897 -20.801  -9.499   0.882
    7    HG2  GLN1897           HG2      GLN1897 -19.152  -7.697   0.464
    8    HG3  GLN1897           HG3      GLN1897 -19.071  -8.206  -1.220
    9   HE21  GLN1897          HE21      GLN1897 -19.795  -6.315  -1.985
   10   HE22  GLN1897          HE22      GLN1897 -21.437  -5.783  -1.801
   11    H    ARG1898           H        ARG1898 -17.345  -8.421   0.473
   12    HA   ARG1898           HA       ARG1898 -16.772  -6.761   1.863
   13    HB2  ARG1898           HB2      ARG1898 -18.859  -7.153   3.119
   14    HB3  ARG1898           HB3      ARG1898 -18.032  -8.393   4.032
   15    HG2  ARG1898           HG2      ARG1898 -16.484  -6.695   4.917
   16    HG3  ARG1898           HG3      ARG1898 -17.348  -5.458   4.002
   17    HD2  ARG1898           HD2      ARG1898 -18.124  -5.392   6.263
   18    HD3  ARG1898           HD3      ARG1898 -19.411  -6.068   5.261
   19    HE   ARG1898           HE       ARG1898 -17.942  -8.219   6.214
   20   HH11  ARG1898          HH12      ARG1898 -19.875  -5.622   7.579
   21   HH12  ARG1898          HH11      ARG1898 -20.323  -6.541   8.985
   22   HH21  ARG1898          HH22      ARG1898 -18.550  -9.416   8.027
   23   HH22  ARG1898          HH21      ARG1898 -19.594  -8.718   9.228
   24    H    GLU1899           H        GLU1899 -15.116  -8.392   0.908
   25    HA   GLU1899           HA       GLU1899 -13.333  -9.829   2.457
   26    HB2  GLU1899           HB2      GLU1899 -11.657  -8.699   0.780
   27    HB3  GLU1899           HB3      GLU1899 -12.894  -9.790   0.165
   28    HG2  GLU1899           HG2      GLU1899 -13.643  -6.952   0.402
   29    HG3  GLU1899           HG3      GLU1899 -12.467  -7.327  -0.843
   30    H    LEU1900           H        LEU1900 -13.988  -6.452   2.250
   31    HA   LEU1900           HA       LEU1900 -11.585  -5.404   3.194
   32    HB2  LEU1900           HB2      LEU1900 -14.397  -4.292   3.280
   33    HB3  LEU1900           HB3      LEU1900 -12.987  -3.417   3.810
   34    HG   LEU1900           HG       LEU1900 -13.452  -2.583   1.719
   35   HD11  LEU1900          HD11      LEU1900 -11.122  -2.948   2.023
   36   HD12  LEU1900          HD12      LEU1900 -11.260  -4.594   1.405
   37   HD13  LEU1900          HD13      LEU1900 -11.548  -3.222   0.333
   38   HD21  LEU1900          HD21      LEU1900 -13.628  -5.351   0.605
   39   HD22  LEU1900          HD22      LEU1900 -14.990  -4.290   0.972
   40   HD23  LEU1900          HD23      LEU1900 -13.829  -3.834  -0.274
   41    H    GLU1901           H        GLU1901 -14.109  -7.066   4.885
   42    HA   GLU1901           HA       GLU1901 -13.686  -5.885   7.443
   43    HB2  GLU1901           HB2      GLU1901 -14.992  -7.681   8.356
   44    HB3  GLU1901           HB3      GLU1901 -15.728  -7.190   6.839
   45    HG2  GLU1901           HG2      GLU1901 -14.624  -9.112   5.734
   46    HG3  GLU1901           HG3      GLU1901 -14.019  -9.622   7.308
   47    H    ASP1902           H        ASP1902 -12.319  -8.678   5.787
   48    HA   ASP1902           HA       ASP1902 -10.570  -9.232   8.050
   49    HB2  ASP1902           HB2      ASP1902 -11.665 -11.082   6.760
   50    HB3  ASP1902           HB3      ASP1902 -10.687 -10.626   5.368
   51    H    ALA1903           H        ALA1903 -10.570  -7.722   4.963
   52    HA   ALA1903           HA       ALA1903  -7.755  -7.763   4.513
   53    HB1  ALA1903           HB1      ALA1903  -9.916  -6.055   3.288
   54    HB2  ALA1903           HB2      ALA1903  -8.255  -6.173   2.708
   55    HB3  ALA1903           HB3      ALA1903  -9.310  -7.589   2.655
   56    H    THR1904           H        THR1904  -9.920  -4.974   5.123
   57    HA   THR1904           HA       THR1904  -7.560  -3.405   5.718
   58    HB   THR1904           HB       THR1904  -9.098  -1.465   5.704
   59    HG1  THR1904           HG1      THR1904 -11.170  -1.817   5.842
   60   HG21  THR1904          HG21      THR1904  -9.592  -1.557   3.302
   61   HG22  THR1904          HG22      THR1904  -9.304  -3.297   3.311
   62   HG23  THR1904          HG23      THR1904  -7.980  -2.181   3.655
   63    H    GLU1905           H        GLU1905  -9.448  -5.335   7.557
   64    HA   GLU1905           HA       GLU1905  -9.722  -3.964   9.981
   65    HB2  GLU1905           HB2      GLU1905 -10.421  -6.303   9.657
   66    HB3  GLU1905           HB3      GLU1905  -8.736  -6.770   9.472
   67    HG2  GLU1905           HG2      GLU1905  -9.590  -7.355  11.675
   68    HG3  GLU1905           HG3      GLU1905  -8.277  -6.185  11.771
   69    H    THR1906           H        THR1906  -7.026  -5.655   8.517
   70    HA   THR1906           HA       THR1906  -5.096  -5.086  10.498
   71    HB   THR1906           HB       THR1906  -3.973  -5.559   7.871
   72    HG1  THR1906           HG1      THR1906  -5.736  -6.609   7.176
   73   HG21  THR1906          HG21      THR1906  -2.888  -6.139   9.994
   74   HG22  THR1906          HG22      THR1906  -3.098  -7.565   8.978
   75   HG23  THR1906          HG23      THR1906  -4.179  -7.289  10.344
   76    H    ALA1907           H        ALA1907  -6.524  -3.117   8.148
   77    HA   ALA1907           HA       ALA1907  -4.372  -1.537   7.329
   78    HB1  ALA1907           HB1      ALA1907  -6.022   0.232   6.847
   79    HB2  ALA1907           HB2      ALA1907  -6.532  -1.350   6.226
   80    HB3  ALA1907           HB3      ALA1907  -7.247  -0.706   7.709
   81    H    ASP1908           H        ASP1908  -6.623  -1.147  10.020
   82    HA   ASP1908           HA       ASP1908  -5.570   1.072  11.265
   83    HB2  ASP1908           HB2      ASP1908  -7.602  -0.030  12.028
   84    HB3  ASP1908           HB3      ASP1908  -6.684  -1.448  12.518
   85    H    ALA1909           H        ALA1909  -4.466  -2.304  11.502
   86    HA   ALA1909           HA       ALA1909  -2.424  -1.814  13.396
   87    HB1  ALA1909           HB1      ALA1909  -2.549  -4.003  11.334
   88    HB2  ALA1909           HB2      ALA1909  -1.531  -3.973  12.775
   89    HB3  ALA1909           HB3      ALA1909  -3.285  -4.054  12.935
   90    H    MET1910           H        MET1910  -1.920  -2.597   9.916
   91    HA   MET1910           HA       MET1910   0.618  -1.732   9.606
   92    HB2  MET1910           HB2      MET1910  -0.448  -2.693   7.753
   93    HB3  MET1910           HB3      MET1910  -1.732  -1.495   7.755
   94    HG2  MET1910           HG2      MET1910  -0.157   0.213   7.015
   95    HG3  MET1910           HG3      MET1910   1.148  -0.975   7.039
   96    HE1  MET1910           HE1      MET1910  -0.485  -3.539   5.993
   97    HE2  MET1910           HE2      MET1910  -0.076  -3.476   4.279
   98    HE3  MET1910           HE3      MET1910   1.165  -3.142   5.494
   99    H    ASN1911           H        ASN1911  -2.196   0.427   9.755
  100    HA   ASN1911           HA       ASN1911  -0.897   2.758   8.805
  101    HB2  ASN1911           HB2      ASN1911  -3.347   2.481   8.978
  102    HB3  ASN1911           HB3      ASN1911  -3.216   2.509  10.722
  103   HD21  ASN1911          HD21      ASN1911  -3.135   4.351   7.828
  104   HD22  ASN1911          HD22      ASN1911  -3.187   5.900   8.571
  105    H    ARG1912           H        ARG1912  -1.016   1.354  12.051
  106    HA   ARG1912           HA       ARG1912  -0.164   3.744  13.352
  107    HB2  ARG1912           HB2      ARG1912  -0.817   2.578  15.160
  108    HB3  ARG1912           HB3      ARG1912  -1.182   1.249  14.081
  109    HG2  ARG1912           HG2      ARG1912   1.579   1.588  15.082
  110    HG3  ARG1912           HG3      ARG1912   0.355   0.859  16.125
  111    HD2  ARG1912           HD2      ARG1912  -0.043  -0.875  14.541
  112    HD3  ARG1912           HD3      ARG1912   0.937  -0.053  13.306
  113    HE   ARG1912           HE       ARG1912   2.524  -0.598  15.593
  114   HH11  ARG1912          HH12      ARG1912   0.891  -2.297  13.015
  115   HH12  ARG1912          HH11      ARG1912   2.067  -3.575  12.928
  116   HH21  ARG1912          HH22      ARG1912   4.078  -2.273  15.493
  117   HH22  ARG1912          HH21      ARG1912   3.883  -3.553  14.335
  118    H    GLU1913           H        GLU1913   1.374   0.969  11.925
  119    HA   GLU1913           HA       GLU1913   3.987   1.786  12.897
  120    HB2  GLU1913           HB2      GLU1913   4.830  -0.212  11.785
  121    HB3  GLU1913           HB3      GLU1913   3.456  -0.615  12.804
  122    HG2  GLU1913           HG2      GLU1913   2.011  -0.651  10.838
  123    HG3  GLU1913           HG3      GLU1913   3.392  -0.253   9.817
  124    H    VAL1914           H        VAL1914   2.054   1.816   9.995
  125    HA   VAL1914           HA       VAL1914   4.090   2.244   8.111
  126    HB   VAL1914           HB       VAL1914   1.656   1.568   7.687
  127   HG11  VAL1914          HG11      VAL1914   0.102   3.384   7.204
  128   HG12  VAL1914          HG12      VAL1914   0.591   3.353   8.906
  129   HG13  VAL1914          HG13      VAL1914   1.296   4.544   7.800
  130   HG21  VAL1914          HG21      VAL1914   1.564   2.620   5.491
  131   HG22  VAL1914          HG22      VAL1914   2.848   3.731   5.972
  132   HG23  VAL1914          HG23      VAL1914   3.176   2.001   5.856
  133    H    SER1915           H        SER1915   2.267   4.436  10.136
  134    HA   SER1915           HA       SER1915   3.022   6.792   8.750
  135    HB2  SER1915           HB2      SER1915   2.132   7.913  10.804
  136    HB3  SER1915           HB3      SER1915   1.037   6.756  10.039
  137    HG   SER1915           HG       SER1915   0.925   6.154  12.097
  138    H    SER1916           H        SER1916   4.283   4.937  11.444
  139    HA   SER1916           HA       SER1916   6.558   6.671  11.785
  140    HB2  SER1916           HB2      SER1916   5.785   5.223  13.621
  141    HB3  SER1916           HB3      SER1916   6.124   3.795  12.645
  142    HG   SER1916           HG       SER1916   7.795   5.246  14.187
  143    H    LEU1917           H        LEU1917   5.703   3.911   9.854
  144    HA   LEU1917           HA       LEU1917   8.250   3.000   9.147
  145    HB2  LEU1917           HB2      LEU1917   5.977   1.826   8.956
  146    HB3  LEU1917           HB3      LEU1917   5.783   2.714   7.461
  147    HG   LEU1917           HG       LEU1917   6.695   0.235   7.494
  148   HD11  LEU1917          HD11      LEU1917   7.754   2.428   5.731
  149   HD12  LEU1917          HD12      LEU1917   7.895   0.702   5.390
  150   HD13  LEU1917          HD13      LEU1917   6.304   1.454   5.474
  151   HD21  LEU1917          HD21      LEU1917   9.127   0.218   7.320
  152   HD22  LEU1917          HD22      LEU1917   9.156   1.910   7.828
  153   HD23  LEU1917          HD23      LEU1917   8.564   0.670   8.935
  154    H    LYS1918           H        LYS1918   5.924   4.975   7.280
  155    HA   LYS1918           HA       LYS1918   7.701   5.256   5.126
  156    HB2  LYS1918           HB2      LYS1918   6.027   6.272   4.055
  157    HB3  LYS1918           HB3      LYS1918   5.064   5.766   5.429
  158    HG2  LYS1918           HG2      LYS1918   6.425   8.428   5.305
  159    HG3  LYS1918           HG3      LYS1918   4.808   8.149   4.653
  160    HD2  LYS1918           HD2      LYS1918   3.876   8.219   6.689
  161    HD3  LYS1918           HD3      LYS1918   5.061   7.074   7.321
  162    HE2  LYS1918           HE2      LYS1918   5.120   9.222   8.479
  163    HE3  LYS1918           HE3      LYS1918   6.642   8.819   7.692
  164    HZ1  LYS1918           HZ1      LYS1918   5.972  10.299   5.839
  165    HZ2  LYS1918           HZ2      LYS1918   6.141  11.120   7.304
  166    HZ3  LYS1918           HZ3      LYS1918   4.596  10.755   6.722
  167    H    ASN1919           H        ASN1919   7.619   6.667   8.175
  168    HA   ASN1919           HA       ASN1919   9.175   9.011   7.442
  169    HB2  ASN1919           HB2      ASN1919   7.581   9.380   9.196
  170    HB3  ASN1919           HB3      ASN1919   8.175   7.993  10.106
  171   HD21  ASN1919          HD21      ASN1919   9.983   8.202  11.370
  172   HD22  ASN1919          HD22      ASN1919  10.760   9.722  11.665
  173    H    LYS1920           H        LYS1920   9.611   5.925   9.156
  174    HA   LYS1920           HA       LYS1920  12.273   6.494   9.941
  175    HB2  LYS1920           HB2      LYS1920  12.456   4.003  10.316
  176    HB3  LYS1920           HB3      LYS1920  11.194   4.823  11.217
  177    HG2  LYS1920           HG2      LYS1920   9.515   3.974   9.699
  178    HG3  LYS1920           HG3      LYS1920  10.742   3.196   8.697
  179    HD2  LYS1920           HD2      LYS1920   9.845   1.509  10.096
  180    HD3  LYS1920           HD3      LYS1920  11.426   1.910  10.764
  181    HE2  LYS1920           HE2      LYS1920  10.331   3.365  12.420
  182    HE3  LYS1920           HE3      LYS1920   8.760   2.900  11.769
  183    HZ1  LYS1920           HZ1      LYS1920   9.144   1.556  13.649
  184    HZ2  LYS1920           HZ2      LYS1920  10.726   1.182  13.169
  185    HZ3  LYS1920           HZ3      LYS1920   9.408   0.548  12.307
  186    H    LEU1921           H        LEU1921  10.828   5.330   7.041
  187    HA   LEU1921           HA       LEU1921  13.301   4.460   5.895
  188    HB2  LEU1921           HB2      LEU1921  10.789   5.294   4.440
  189    HB3  LEU1921           HB3      LEU1921  12.103   4.339   3.794
  190    HG   LEU1921           HG       LEU1921   9.958   3.522   5.719
  191   HD11  LEU1921          HD11      LEU1921  11.050   2.276   3.208
  192   HD12  LEU1921          HD12      LEU1921   9.704   1.664   4.173
  193   HD13  LEU1921          HD13      LEU1921   9.563   3.218   3.339
  194   HD21  LEU1921          HD21      LEU1921  12.570   2.096   5.270
  195   HD22  LEU1921          HD22      LEU1921  12.001   2.812   6.779
  196   HD23  LEU1921          HD23      LEU1921  11.164   1.419   6.094
  197    H    ARG1922           H        ARG1922  11.365   7.399   5.785
  198    HA   ARG1922           HA       ARG1922  13.262   8.693   4.052
  199    HB2  ARG1922           HB2      ARG1922  10.662   9.061   4.329
  200    HB3  ARG1922           HB3      ARG1922  11.182  10.204   5.563
  201    HG2  ARG1922           HG2      ARG1922  12.290  11.550   4.021
  202    HG3  ARG1922           HG3      ARG1922  12.337  10.269   2.807
  203    HD2  ARG1922           HD2      ARG1922  10.700  11.873   2.136
  204    HD3  ARG1922           HD3      ARG1922   9.872  10.399   2.645
  205    HE   ARG1922           HE       ARG1922   8.805  11.623   4.245
  206   HH11  ARG1922          HH12      ARG1922  11.742  13.318   3.369
  207   HH12  ARG1922          HH11      ARG1922  11.353  14.747   4.268
  208   HH21  ARG1922          HH22      ARG1922   8.258  13.510   5.422
  209   HH22  ARG1922          HH21      ARG1922   9.367  14.853   5.446
  210    H    ARG1923           H        ARG1923  13.343   7.859   7.196
  211    HA   ARG1923           HA       ARG1923  15.108  10.106   7.873
  212    HB2  ARG1923           HB2      ARG1923  13.043   9.652   9.351
  213    HB3  ARG1923           HB3      ARG1923  13.906   8.221   9.894
  214    HG2  ARG1923           HG2      ARG1923  15.109  10.966  10.064
  215    HG3  ARG1923           HG3      ARG1923  14.077  10.310  11.333
  216    HD2  ARG1923           HD2      ARG1923  15.597   8.497  11.715
  217    HD3  ARG1923           HD3      ARG1923  16.564   8.949  10.312
  218    HE   ARG1923           HE       ARG1923  17.065  11.055  11.576
  219   HH11  ARG1923          HH12      ARG1923  16.170   8.106  13.258
  220   HH12  ARG1923          HH11      ARG1923  17.103   8.492  14.674
  221   HH21  ARG1923          HH22      ARG1923  18.259  11.570  13.442
  222   HH22  ARG1923          HH21      ARG1923  18.288  10.463  14.788
  223    H    GLY1924           H        GLY1924  16.900   9.333   6.980
  224    HA2  GLY1924           HA2      GLY1924  18.902   8.163   8.105
  225    HA3  GLY1924           HA3      GLY1924  17.931   6.727   7.780
  226    H    ASP1925           H        ASP1925  17.016   8.630   5.434
  227    HA   ASP1925           HA       ASP1925  17.424   8.893   3.232
  228    HB2  ASP1925           HB2      ASP1925  20.217   9.246   4.325
  229    HB3  ASP1925           HB3      ASP1925  19.802   9.532   2.637
  230    H    LEU1926           H        LEU1926  17.105   6.311   3.959
  231    HA   LEU1926           HA       LEU1926  19.101   4.580   3.030
  232    HB2  LEU1926           HB2      LEU1926  17.050   3.000   2.762
  233    HB3  LEU1926           HB3      LEU1926  17.603   3.487   4.346
  234    HG   LEU1926           HG       LEU1926  15.773   5.206   4.400
  235   HD11  LEU1926          HD11      LEU1926  13.909   4.916   2.820
  236   HD12  LEU1926          HD12      LEU1926  15.378   5.427   1.990
  237   HD13  LEU1926          HD13      LEU1926  14.860   3.744   1.906
  238   HD21  LEU1926          HD21      LEU1926  15.286   2.276   4.197
  239   HD22  LEU1926          HD22      LEU1926  15.349   3.303   5.623
  240   HD23  LEU1926          HD23      LEU1926  13.960   3.381   4.535
  241    HA   PRO1927           HA       PRO1927  19.231   4.715  -1.148
  242    HB2  PRO1927           HB2      PRO1927  19.123   2.275  -2.187
  243    HB3  PRO1927           HB3      PRO1927  20.321   2.690  -0.960
  244    HG2  PRO1927           HG2      PRO1927  17.704   1.267  -0.627
  245    HG3  PRO1927           HG3      PRO1927  19.300   0.822   0.008
  246    HD2  PRO1927           HD2      PRO1927  17.429   2.146   1.477
  247    HD3  PRO1927           HD3      PRO1927  19.175   2.331   1.732
  248    H    PHE1928           H        PHE1928  16.234   4.602  -0.214
  249    HA   PHE1928           HA       PHE1928  15.205   4.869  -2.884
  250    HB2  PHE1928           HB2      PHE1928  14.054   2.954  -3.058
  251    HB3  PHE1928           HB3      PHE1928  15.045   2.382  -1.753
  252    HD1  PHE1928           HD2      PHE1928  11.927   4.408  -2.086
  253    HD2  PHE1928           HD1      PHE1928  14.023   1.248  -0.199
  254    HE1  PHE1928           HE2      PHE1928   9.944   3.915  -0.746
  255    HE2  PHE1928           HE1      PHE1928  12.024   0.729   1.142
  256    HZ   PHE1928           HZ       PHE1928  10.005   2.068   0.847
  257    H    VAL1929           H        VAL1929  13.568   6.245  -3.012
  258    HA   VAL1929           HA       VAL1929  11.998   7.066  -0.747
  259    HB   VAL1929           HB       VAL1929  12.736   9.480  -0.992
  260   HG11  VAL1929          HG11      VAL1929  14.586   9.253   0.532
  261   HG12  VAL1929          HG12      VAL1929  13.367   8.032   0.909
  262   HG13  VAL1929          HG13      VAL1929  14.826   7.578   0.027
  263   HG21  VAL1929          HG21      VAL1929  15.049   8.131  -2.364
  264   HG22  VAL1929          HG22      VAL1929  13.874   9.208  -3.116
  265   HG23  VAL1929          HG23      VAL1929  14.992   9.835  -1.900
  266    H    VAL1930           H        VAL1930  10.336   8.536  -1.387
  267    HA   VAL1930           HA       VAL1930   9.637   8.346  -4.154
  268    HB   VAL1930           HB       VAL1930   8.320  10.101  -2.078
  269   HG11  VAL1930          HG11      VAL1930   6.342   9.836  -3.503
  270   HG12  VAL1930          HG12      VAL1930   7.685  10.577  -4.376
  271   HG13  VAL1930          HG13      VAL1930   7.296   8.877  -4.636
  272   HG21  VAL1930          HG21      VAL1930   7.766   7.210  -2.722
  273   HG22  VAL1930          HG22      VAL1930   8.428   7.840  -1.213
  274   HG23  VAL1930          HG23      VAL1930   6.775   8.235  -1.684
  275    HA   PRO1931           HA       PRO1931  11.739  12.164  -5.385
  276    HB2  PRO1931           HB2      PRO1931  10.512  12.244  -7.849
  277    HB3  PRO1931           HB3      PRO1931  11.981  11.331  -7.497
  278    HG2  PRO1931           HG2      PRO1931   9.154  10.387  -7.664
  279    HG3  PRO1931           HG3      PRO1931  10.639   9.592  -8.216
  280    HD2  PRO1931           HD2      PRO1931   9.387   8.875  -5.937
  281    HD3  PRO1931           HD3      PRO1931  11.155   8.802  -6.101
  282    H    ARG1932           H        ARG1932  10.885  14.284  -6.376
  283    HA   ARG1932           HA       ARG1932   8.617  15.080  -4.784
  284    HB2  ARG1932           HB2      ARG1932  10.543  16.567  -6.542
  285    HB3  ARG1932           HB3      ARG1932   9.085  17.352  -5.955
  286    HG2  ARG1932           HG2      ARG1932  10.833  17.942  -4.480
  287    HG3  ARG1932           HG3      ARG1932   9.824  16.775  -3.629
  288    HD2  ARG1932           HD2      ARG1932  11.437  15.000  -4.311
  289    HD3  ARG1932           HD3      ARG1932  12.477  16.266  -4.962
  290    HE   ARG1932           HE       ARG1932  11.719  16.603  -2.189
  291   HH11  ARG1932          HH12      ARG1932  14.072  15.343  -4.436
  292   HH12  ARG1932          HH11      ARG1932  15.346  15.240  -3.262
  293   HH21  ARG1932          HH22      ARG1932  13.363  16.459  -0.616
  294   HH22  ARG1932          HH21      ARG1932  14.942  15.901  -1.084
  295    H    ARG1933           H        ARG1933   7.895  13.231  -6.617
  296    HA   ARG1933           HA       ARG1933   5.603  14.159  -7.819
  297    HB2  ARG1933           HB2      ARG1933   6.207  14.137 -10.222
  298    HB3  ARG1933           HB3      ARG1933   7.038  15.431  -9.369
  299    HG2  ARG1933           HG2      ARG1933   9.075  14.123  -9.310
  300    HG3  ARG1933           HG3      ARG1933   8.252  12.767 -10.079
  301    HD2  ARG1933           HD2      ARG1933   9.457  13.856 -11.788
  302    HD3  ARG1933           HD3      ARG1933   7.771  14.312 -12.012
  303    HE   ARG1933           HE       ARG1933   9.058  16.249 -10.424
  304   HH11  ARG1933          HH12      ARG1933   9.002  15.068 -13.731
  305   HH12  ARG1933          HH11      ARG1933   9.472  16.601 -14.412
  306   HH21  ARG1933          HH22      ARG1933   9.709  18.231 -11.315
  307   HH22  ARG1933          HH21      ARG1933   9.887  18.389 -13.038
  308    H    MET1934           H        MET1934   5.035  12.386  -9.712
  309    HA   MET1934           HA       MET1934   5.664   9.826  -8.507
  310    HB2  MET1934           HB2      MET1934   3.959  10.546 -10.898
  311    HB3  MET1934           HB3      MET1934   4.155   8.911 -10.280
  312    HG2  MET1934           HG2      MET1934   3.235  11.059  -8.435
  313    HG3  MET1934           HG3      MET1934   2.102  10.381  -9.598
  314    HE1  MET1934           HE1      MET1934   4.431   9.629  -6.506
  315    HE2  MET1934           HE2      MET1934   4.097   7.920  -6.197
  316    HE3  MET1934           HE3      MET1934   5.024   8.395  -7.621
  317    H    ALA1935           H        ALA1935   6.643  11.797 -11.111
  318    HA   ALA1935           HA       ALA1935   8.459  11.780 -12.442
  319    HB1  ALA1935           HB1      ALA1935   9.459   9.604 -10.608
  320    HB2  ALA1935           HB2      ALA1935  10.433  10.632 -11.661
  321    HB3  ALA1935           HB3      ALA1935   9.577  11.337 -10.284
  322    H    MET   1           H1       MET   1   3.434  -3.363 -20.251
  323    HA   MET   1           HA       MET   1   1.577  -2.202 -21.176
  324    HB2  MET   1           HB2      MET   1   0.064  -3.506 -18.904
  325    HB3  MET   1           HB3      MET   1  -0.557  -2.142 -19.823
  326    HG2  MET   1           HG2      MET   1  -1.499  -4.212 -20.633
  327    HG3  MET   1           HG3      MET   1  -0.476  -3.477 -21.864
  328    HE1  MET   1           HE1      MET   1  -1.443  -6.469 -22.096
  329    HE2  MET   1           HE2      MET   1  -0.365  -5.699 -23.261
  330    HE3  MET   1           HE3      MET   1   0.053  -7.271 -22.578
  331    H    ALA   2           H        ALA   2   1.223  -2.421 -17.639
  332    HA   ALA   2           HA       ALA   2   2.643   0.158 -17.456
  333    HB1  ALA   2           HB1      ALA   2   0.273   0.290 -16.794
  334    HB2  ALA   2           HB2      ALA   2   0.559  -0.950 -15.574
  335    HB3  ALA   2           HB3      ALA   2   1.361   0.616 -15.444
  336    H    CYS   3           H        CYS   3   4.093   0.403 -15.631
  337    HA   CYS   3           HA       CYS   3   5.521  -1.903 -14.851
  338    HB2  CYS   3           HB2      CYS   3   5.496   0.784 -13.463
  339    HB3  CYS   3           HB3      CYS   3   6.770  -0.427 -13.406
  340    HG   CYS   3           HG       CYS   3   7.328   1.971 -14.974
  341    HA   PRO   4           HA       PRO   4   2.115  -3.351 -12.393
  342    HB2  PRO   4           HB2      PRO   4   4.353  -5.007 -11.292
  343    HB3  PRO   4           HB3      PRO   4   2.736  -5.513 -11.817
  344    HG2  PRO   4           HG2      PRO   4   4.772  -5.969 -13.410
  345    HG3  PRO   4           HG3      PRO   4   3.282  -5.285 -14.094
  346    HD2  PRO   4           HD2      PRO   4   5.857  -3.914 -13.419
  347    HD3  PRO   4           HD3      PRO   4   4.799  -3.694 -14.830
  348    H    LEU   5           H        LEU   5   5.155  -3.451 -10.500
  349    HA   LEU   5           HA       LEU   5   3.792  -2.764  -8.097
  350    HB2  LEU   5           HB2      LEU   5   6.156  -3.951  -8.654
  351    HB3  LEU   5           HB3      LEU   5   6.712  -2.342  -8.245
  352    HG   LEU   5           HG       LEU   5   6.789  -3.856  -6.314
  353   HD11  LEU   5          HD11      LEU   5   5.605  -2.462  -4.713
  354   HD12  LEU   5          HD12      LEU   5   6.473  -1.494  -5.904
  355   HD13  LEU   5          HD13      LEU   5   4.724  -1.691  -6.033
  356   HD21  LEU   5          HD21      LEU   5   3.801  -4.010  -6.643
  357   HD22  LEU   5          HD22      LEU   5   4.948  -5.324  -6.907
  358   HD23  LEU   5          HD23      LEU   5   4.727  -4.658  -5.289
  359    H    GLU   6           H        GLU   6   5.630  -0.917 -10.475
  360    HA   GLU   6           HA       GLU   6   6.002   1.374  -8.914
  361    HB2  GLU   6           HB2      GLU   6   7.275   0.997 -10.964
  362    HB3  GLU   6           HB3      GLU   6   5.810   1.176 -11.919
  363    HG2  GLU   6           HG2      GLU   6   5.620   3.489 -11.280
  364    HG3  GLU   6           HG3      GLU   6   6.993   3.333 -10.186
  365    H    LYS   7           H        LYS   7   3.426   0.482 -11.163
  366    HA   LYS   7           HA       LYS   7   2.078   2.967 -10.996
  367    HB2  LYS   7           HB2      LYS   7   1.095   0.239 -11.850
  368    HB3  LYS   7           HB3      LYS   7   0.138   1.708 -11.976
  369    HG2  LYS   7           HG2      LYS   7   2.780   1.204 -13.334
  370    HG3  LYS   7           HG3      LYS   7   1.192   1.125 -14.097
  371    HD2  LYS   7           HD2      LYS   7   2.283   3.598 -12.766
  372    HD3  LYS   7           HD3      LYS   7   2.460   3.255 -14.487
  373    HE2  LYS   7           HE2      LYS   7   0.052   3.229 -14.757
  374    HE3  LYS   7           HE3      LYS   7  -0.168   3.472 -13.023
  375    HZ1  LYS   7           HZ1      LYS   7   0.607   5.641 -13.145
  376    HZ2  LYS   7           HZ2      LYS   7  -0.332   5.493 -14.551
  377    HZ3  LYS   7           HZ3      LYS   7   1.358   5.408 -14.649
  378    H    ALA   8           H        ALA   8   2.099   0.134  -8.990
  379    HA   ALA   8           HA       ALA   8  -0.300   0.382  -7.622
  380    HB1  ALA   8           HB1      ALA   8   2.372  -0.418  -6.477
  381    HB2  ALA   8           HB2      ALA   8   0.795  -0.744  -5.756
  382    HB3  ALA   8           HB3      ALA   8   1.232  -1.487  -7.295
  383    H    LEU   9           H        LEU   9   2.814   1.964  -6.856
  384    HA   LEU   9           HA       LEU   9   1.682   3.465  -4.699
  385    HB2  LEU   9           HB2      LEU   9   4.246   3.974  -6.214
  386    HB3  LEU   9           HB3      LEU   9   3.790   4.718  -4.695
  387    HG   LEU   9           HG       LEU   9   5.302   3.076  -4.060
  388   HD11  LEU   9          HD11      LEU   9   2.586   1.793  -3.837
  389   HD12  LEU   9          HD12      LEU   9   4.012   1.372  -2.884
  390   HD13  LEU   9          HD13      LEU   9   3.287   2.972  -2.728
  391   HD21  LEU   9          HD21      LEU   9   5.350   0.806  -4.886
  392   HD22  LEU   9          HD22      LEU   9   3.926   1.109  -5.880
  393   HD23  LEU   9          HD23      LEU   9   5.444   1.942  -6.233
  394    H    ASP  10           H        ASP  10   2.363   4.116  -8.078
  395    HA   ASP  10           HA       ASP  10   1.885   6.877  -8.106
  396    HB2  ASP  10           HB2      ASP  10   2.930   5.967 -10.008
  397    HB3  ASP  10           HB3      ASP  10   1.704   4.720 -10.199
  398    H    VAL  11           H        VAL  11  -0.347   4.178  -8.704
  399    HA   VAL  11           HA       VAL  11  -2.551   5.895  -9.259
  400    HB   VAL  11           HB       VAL  11  -3.921   3.927  -9.300
  401   HG11  VAL  11          HG11      VAL  11  -2.718   2.627 -10.971
  402   HG12  VAL  11          HG12      VAL  11  -2.444   4.356 -11.197
  403   HG13  VAL  11          HG13      VAL  11  -1.196   3.352 -10.454
  404   HG21  VAL  11          HG21      VAL  11  -1.570   2.467  -8.091
  405   HG22  VAL  11          HG22      VAL  11  -3.099   2.819  -7.289
  406   HG23  VAL  11          HG23      VAL  11  -3.060   1.719  -8.665
  407    H    MET  12           H        MET  12  -1.170   4.627  -6.361
  408    HA   MET  12           HA       MET  12  -3.352   4.688  -4.638
  409    HB2  MET  12           HB2      MET  12  -0.414   5.085  -4.268
  410    HB3  MET  12           HB3      MET  12  -1.503   5.381  -2.919
  411    HG2  MET  12           HG2      MET  12  -2.247   3.153  -2.903
  412    HG3  MET  12           HG3      MET  12  -1.509   2.819  -4.470
  413    HE1  MET  12           HE1      MET  12  -0.704   0.604  -3.080
  414    HE2  MET  12           HE2      MET  12   0.445   0.683  -1.739
  415    HE3  MET  12           HE3      MET  12  -1.215   1.246  -1.510
  416    H    VAL  13           H        VAL  13  -1.130   7.316  -5.543
  417    HA   VAL  13           HA       VAL  13  -2.844   9.207  -4.138
  418    HB   VAL  13           HB       VAL  13  -1.171  10.914  -4.735
  419   HG11  VAL  13          HG11      VAL  13  -0.954   9.715  -2.636
  420   HG12  VAL  13          HG12      VAL  13  -0.041   8.435  -3.440
  421   HG13  VAL  13          HG13      VAL  13   0.643  10.060  -3.314
  422   HG21  VAL  13          HG21      VAL  13   0.302   8.621  -5.998
  423   HG22  VAL  13          HG22      VAL  13  -0.381  10.022  -6.826
  424   HG23  VAL  13          HG23      VAL  13   0.965  10.231  -5.704
  425    H    SER  14           H        SER  14  -2.361   8.023  -7.331
  426    HA   SER  14           HA       SER  14  -3.383  10.338  -8.692
  427    HB2  SER  14           HB2      SER  14  -1.844   8.673  -9.758
  428    HB3  SER  14           HB3      SER  14  -3.163   7.503  -9.736
  429    HG   SER  14           HG       SER  14  -2.664   9.197 -11.624
  430    H    THR  15           H        THR  15  -4.709   7.044  -8.250
  431    HA   THR  15           HA       THR  15  -7.343   7.650  -9.034
  432    HB   THR  15           HB       THR  15  -6.439   5.512  -7.082
  433    HG1  THR  15           HG1      THR  15  -6.708   4.387  -9.389
  434   HG21  THR  15          HG21      THR  15  -8.879   5.819  -7.191
  435   HG22  THR  15          HG22      THR  15  -8.379   4.263  -7.855
  436   HG23  THR  15          HG23      THR  15  -8.821   5.586  -8.939
  437    H    PHE  16           H        PHE  16  -5.611   7.953  -6.048
  438    HA   PHE  16           HA       PHE  16  -7.524   8.501  -4.157
  439    HB2  PHE  16           HB2      PHE  16  -5.053   8.400  -3.847
  440    HB3  PHE  16           HB3      PHE  16  -4.923   9.977  -4.607
  441    HD1  PHE  16           HD2      PHE  16  -6.785   8.364  -1.812
  442    HD2  PHE  16           HD1      PHE  16  -4.660  11.757  -3.229
  443    HE1  PHE  16           HE2      PHE  16  -6.993   9.411   0.400
  444    HE2  PHE  16           HE1      PHE  16  -4.856  12.810  -1.019
  445    HZ   PHE  16           HZ       PHE  16  -6.026  11.636   0.799
  446    H    HIS  17           H        HIS  17  -5.798  11.055  -5.949
  447    HA   HIS  17           HA       HIS  17  -7.617  13.105  -5.286
  448    HB2  HIS  17           HB2      HIS  17  -5.448  12.857  -7.359
  449    HB3  HIS  17           HB3      HIS  17  -6.460  14.292  -7.278
  450    HD1  HIS  17           HD1      HIS  17  -5.529  16.100  -5.892
  451    HD2  HIS  17           HD2      HIS  17  -4.100  12.375  -4.718
  452    HE1  HIS  17           HE1      HIS  17  -3.954  16.548  -3.991
  453    HE2  HIS  17           HE2      HIS  17  -3.357  14.270  -3.109
  454    H    LYS  18           H        LYS  18  -7.797  10.633  -7.579
  455    HA   LYS  18           HA       LYS  18  -9.293  11.950  -9.604
  456    HB2  LYS  18           HB2      LYS  18  -7.968   9.984 -10.079
  457    HB3  LYS  18           HB3      LYS  18  -8.897   9.034  -8.933
  458    HG2  LYS  18           HG2      LYS  18 -10.862   9.220 -10.362
  459    HG3  LYS  18           HG3      LYS  18  -9.940  10.203 -11.506
  460    HD2  LYS  18           HD2      LYS  18  -8.431   8.377 -11.934
  461    HD3  LYS  18           HD3      LYS  18  -9.189   7.401 -10.675
  462    HE2  LYS  18           HE2      LYS  18 -11.264   7.351 -11.960
  463    HE3  LYS  18           HE3      LYS  18 -10.518   8.348 -13.211
  464    HZ1  LYS  18           HZ1      LYS  18 -10.520   5.952 -13.739
  465    HZ2  LYS  18           HZ2      LYS  18  -9.533   5.666 -12.390
  466    HZ3  LYS  18           HZ3      LYS  18  -8.959   6.611 -13.679
  467    H    TYR  19           H        TYR  19 -10.138  10.412  -6.586
  468    HA   TYR  19           HA       TYR  19 -12.981  10.699  -7.315
  469    HB2  TYR  19           HB2      TYR  19 -11.667   8.558  -5.649
  470    HB3  TYR  19           HB3      TYR  19 -13.407   8.827  -5.665
  471    HD1  TYR  19           HD1      TYR  19 -14.697   8.440  -7.738
  472    HD2  TYR  19           HD2      TYR  19 -10.566   7.469  -7.472
  473    HE1  TYR  19           HE1      TYR  19 -14.910   7.036  -9.745
  474    HE2  TYR  19           HE2      TYR  19 -10.761   6.066  -9.480
  475    HH   TYR  19           HH       TYR  19 -13.600   6.089 -11.467
  476    H    SER  20           H        SER  20 -10.593  11.106  -4.746
  477    HA   SER  20           HA       SER  20 -12.380  11.722  -2.669
  478    HB2  SER  20           HB2      SER  20 -10.384  12.864  -1.631
  479    HB3  SER  20           HB3      SER  20 -10.082  11.210  -2.177
  480    HG   SER  20           HG       SER  20  -8.599  13.144  -2.787
  481    H    GLY  21           H        GLY  21 -10.956  13.720  -5.184
  482    HA2  GLY  21           HA2      GLY  21 -11.891  16.178  -3.991
  483    HA3  GLY  21           HA3      GLY  21 -11.046  16.016  -5.522
  484    H    LYS  22           H        LYS  22 -13.799  13.994  -5.054
  485    HA   LYS  22           HA       LYS  22 -15.236  15.538  -7.065
  486    HB2  LYS  22           HB2      LYS  22 -15.622  12.798  -5.891
  487    HB3  LYS  22           HB3      LYS  22 -16.887  13.568  -6.841
  488    HG2  LYS  22           HG2      LYS  22 -15.140  13.822  -8.668
  489    HG3  LYS  22           HG3      LYS  22 -14.152  12.707  -7.718
  490    HD2  LYS  22           HD2      LYS  22 -15.927  11.040  -7.804
  491    HD3  LYS  22           HD3      LYS  22 -16.944  12.155  -8.717
  492    HE2  LYS  22           HE2      LYS  22 -15.123  12.190 -10.463
  493    HE3  LYS  22           HE3      LYS  22 -14.378  10.851  -9.590
  494    HZ1  LYS  22           HZ1      LYS  22 -17.066  10.887 -10.852
  495    HZ2  LYS  22           HZ2      LYS  22 -16.508   9.630  -9.860
  496    HZ3  LYS  22           HZ3      LYS  22 -15.727   9.963 -11.331
  497    H    GLU  23           H        GLU  23 -16.072  13.988  -3.978
  498    HA   GLU  23           HA       GLU  23 -18.174  16.029  -3.607
  499    HB2  GLU  23           HB2      GLU  23 -17.885  13.288  -2.361
  500    HB3  GLU  23           HB3      GLU  23 -19.186  14.419  -2.023
  501    HG2  GLU  23           HG2      GLU  23 -18.617  13.278  -4.744
  502    HG3  GLU  23           HG3      GLU  23 -19.767  12.588  -3.602
  503    H    GLY  24           H        GLY  24 -15.558  14.284  -1.986
  504    HA2  GLY  24           HA2      GLY  24 -15.824  15.976   0.379
  505    HA3  GLY  24           HA3      GLY  24 -14.745  14.602   0.195
  506    H    ASP  25           H        ASP  25 -12.859  15.531   0.777
  507    HA   ASP  25           HA       ASP  25 -12.006  17.943  -0.657
  508    HB2  ASP  25           HB2      ASP  25 -11.836  17.753   1.900
  509    HB3  ASP  25           HB3      ASP  25 -10.527  16.610   1.613
  510    H    LYS  26           H        LYS  26  -9.564  17.881  -1.226
  511    HA   LYS  26           HA       LYS  26  -9.383  15.996  -3.319
  512    HB2  LYS  26           HB2      LYS  26  -7.127  17.662  -2.181
  513    HB3  LYS  26           HB3      LYS  26  -7.229  16.990  -3.800
  514    HG2  LYS  26           HG2      LYS  26  -9.079  19.092  -2.695
  515    HG3  LYS  26           HG3      LYS  26  -7.671  19.412  -3.704
  516    HD2  LYS  26           HD2      LYS  26  -9.942  17.633  -4.557
  517    HD3  LYS  26           HD3      LYS  26  -9.896  19.364  -4.889
  518    HE2  LYS  26           HE2      LYS  26  -7.681  18.985  -6.012
  519    HE3  LYS  26           HE3      LYS  26  -7.970  17.253  -5.847
  520    HZ1  LYS  26           HZ1      LYS  26  -8.617  18.217  -8.033
  521    HZ2  LYS  26           HZ2      LYS  26  -9.840  19.092  -7.243
  522    HZ3  LYS  26           HZ3      LYS  26  -9.869  17.397  -7.240
  523    H    PHE  27           H        PHE  27  -8.545  15.744  -0.050
  524    HA   PHE  27           HA       PHE  27  -7.053  13.285  -0.620
  525    HB2  PHE  27           HB2      PHE  27  -5.754  13.825   1.536
  526    HB3  PHE  27           HB3      PHE  27  -5.321  14.682   0.061
  527    HD1  PHE  27           HD2      PHE  27  -7.248  14.972   3.205
  528    HD2  PHE  27           HD1      PHE  27  -5.389  17.001  -0.052
  529    HE1  PHE  27           HE2      PHE  27  -7.553  17.130   4.370
  530    HE2  PHE  27           HE1      PHE  27  -5.700  19.152   1.102
  531    HZ   PHE  27           HZ       PHE  27  -6.780  19.218   3.316
  532    H    LYS  28           H        LYS  28  -9.877  14.210   0.370
  533    HA   LYS  28           HA       LYS  28  -9.964  12.250   2.579
  534    HB2  LYS  28           HB2      LYS  28 -11.797  14.644   2.189
  535    HB3  LYS  28           HB3      LYS  28 -11.888  13.484   3.501
  536    HG2  LYS  28           HG2      LYS  28  -9.552  15.314   3.015
  537    HG3  LYS  28           HG3      LYS  28 -10.881  15.659   4.121
  538    HD2  LYS  28           HD2      LYS  28 -10.322  13.513   5.298
  539    HD3  LYS  28           HD3      LYS  28  -8.875  13.422   4.285
  540    HE2  LYS  28           HE2      LYS  28  -8.074  15.523   5.175
  541    HE3  LYS  28           HE3      LYS  28  -9.568  15.750   6.081
  542    HZ1  LYS  28           HZ1      LYS  28  -7.952  14.975   7.591
  543    HZ2  LYS  28           HZ2      LYS  28  -7.448  13.733   6.554
  544    HZ3  LYS  28           HZ3      LYS  28  -8.976  13.652   7.291
  545    H    LEU  29           H        LEU  29 -10.940  10.490   1.991
  546    HA   LEU  29           HA       LEU  29 -13.104  10.667  -0.003
  547    HB2  LEU  29           HB2      LEU  29 -11.445   8.304   0.858
  548    HB3  LEU  29           HB3      LEU  29 -12.866   8.164  -0.155
  549    HG   LEU  29           HG       LEU  29 -11.528   9.918  -1.637
  550   HD11  LEU  29          HD11      LEU  29  -9.108   9.208  -1.612
  551   HD12  LEU  29          HD12      LEU  29  -9.631  10.221  -0.262
  552   HD13  LEU  29          HD13      LEU  29  -9.433   8.486  -0.037
  553   HD21  LEU  29          HD21      LEU  29 -12.342   7.746  -2.377
  554   HD22  LEU  29          HD22      LEU  29 -10.699   8.035  -2.950
  555   HD23  LEU  29          HD23      LEU  29 -10.979   6.954  -1.584
  556    H    ASN  30           H        ASN  30 -15.059  10.792   0.869
  557    HA   ASN  30           HA       ASN  30 -15.666   9.408   3.346
  558    HB2  ASN  30           HB2      ASN  30 -17.880  10.359   3.180
  559    HB3  ASN  30           HB3      ASN  30 -16.717  11.624   2.807
  560   HD21  ASN  30          HD21      ASN  30 -16.687  12.517   0.784
  561   HD22  ASN  30          HD22      ASN  30 -17.865  12.163  -0.429
  562    H    LYS  31           H        LYS  31 -18.133   8.318   2.958
  563    HA   LYS  31           HA       LYS  31 -17.565   5.798   1.977
  564    HB2  LYS  31           HB2      LYS  31 -20.291   7.095   2.125
  565    HB3  LYS  31           HB3      LYS  31 -19.983   5.368   2.005
  566    HG2  LYS  31           HG2      LYS  31 -18.751   5.523   4.178
  567    HG3  LYS  31           HG3      LYS  31 -19.312   7.193   4.299
  568    HD2  LYS  31           HD2      LYS  31 -21.074   4.750   4.097
  569    HD3  LYS  31           HD3      LYS  31 -20.745   5.665   5.568
  570    HE2  LYS  31           HE2      LYS  31 -22.108   6.734   3.096
  571    HE3  LYS  31           HE3      LYS  31 -22.916   6.250   4.585
  572    HZ1  LYS  31           HZ1      LYS  31 -22.634   8.624   4.540
  573    HZ2  LYS  31           HZ2      LYS  31 -20.970   8.472   4.278
  574    HZ3  LYS  31           HZ3      LYS  31 -21.639   7.980   5.754
  575    H    SER  32           H        SER  32 -19.223   8.447   0.286
  576    HA   SER  32           HA       SER  32 -19.896   6.961  -2.013
  577    HB2  SER  32           HB2      SER  32 -20.948   9.126  -1.322
  578    HB3  SER  32           HB3      SER  32 -19.473   9.954  -1.820
  579    HG   SER  32           HG       SER  32 -19.921   9.585  -3.889
  580    H    GLU  33           H        GLU  33 -16.996   8.724  -1.113
  581    HA   GLU  33           HA       GLU  33 -15.934   8.916  -3.760
  582    HB2  GLU  33           HB2      GLU  33 -14.378   9.047  -1.175
  583    HB3  GLU  33           HB3      GLU  33 -13.947   9.760  -2.726
  584    HG2  GLU  33           HG2      GLU  33 -16.255  10.599  -0.989
  585    HG3  GLU  33           HG3      GLU  33 -14.710  11.432  -1.130
  586    H    LEU  34           H        LEU  34 -15.281   6.908  -0.928
  587    HA   LEU  34           HA       LEU  34 -13.370   5.244  -2.161
  588    HB2  LEU  34           HB2      LEU  34 -15.068   5.049   0.282
  589    HB3  LEU  34           HB3      LEU  34 -14.218   3.625  -0.282
  590    HG   LEU  34           HG       LEU  34 -12.862   6.238   0.353
  591   HD11  LEU  34          HD11      LEU  34 -12.088   5.089   2.381
  592   HD12  LEU  34          HD12      LEU  34 -13.838   5.319   2.361
  593   HD13  LEU  34          HD13      LEU  34 -13.152   3.733   2.001
  594   HD21  LEU  34          HD21      LEU  34 -11.668   4.877  -1.246
  595   HD22  LEU  34          HD22      LEU  34 -10.841   4.826   0.315
  596   HD23  LEU  34          HD23      LEU  34 -11.833   3.462  -0.205
  597    H    LYS  35           H        LYS  35 -16.885   5.118  -1.968
  598    HA   LYS  35           HA       LYS  35 -17.155   2.503  -2.950
  599    HB2  LYS  35           HB2      LYS  35 -18.974   3.990  -1.930
  600    HB3  LYS  35           HB3      LYS  35 -19.127   4.703  -3.533
  601    HG2  LYS  35           HG2      LYS  35 -19.857   2.688  -4.484
  602    HG3  LYS  35           HG3      LYS  35 -19.324   1.743  -3.092
  603    HD2  LYS  35           HD2      LYS  35 -21.683   1.897  -2.955
  604    HD3  LYS  35           HD3      LYS  35 -21.034   2.990  -1.732
  605    HE2  LYS  35           HE2      LYS  35 -21.324   4.860  -3.332
  606    HE3  LYS  35           HE3      LYS  35 -22.086   3.723  -4.447
  607    HZ1  LYS  35           HZ1      LYS  35 -23.818   3.322  -2.843
  608    HZ2  LYS  35           HZ2      LYS  35 -23.711   4.985  -3.147
  609    HZ3  LYS  35           HZ3      LYS  35 -23.069   4.339  -1.711
  610    H    GLU  36           H        GLU  36 -17.271   5.618  -4.717
  611    HA   GLU  36           HA       GLU  36 -17.345   4.479  -7.274
  612    HB2  GLU  36           HB2      GLU  36 -16.563   7.117  -6.185
  613    HB3  GLU  36           HB3      GLU  36 -15.971   6.719  -7.792
  614    HG2  GLU  36           HG2      GLU  36 -18.291   6.235  -8.477
  615    HG3  GLU  36           HG3      GLU  36 -18.839   6.794  -6.894
  616    H    LEU  37           H        LEU  37 -14.620   5.248  -5.184
  617    HA   LEU  37           HA       LEU  37 -12.471   4.693  -6.834
  618    HB2  LEU  37           HB2      LEU  37 -12.577   5.428  -4.358
  619    HB3  LEU  37           HB3      LEU  37 -12.618   3.711  -4.004
  620    HG   LEU  37           HG       LEU  37 -10.466   3.719  -5.558
  621   HD11  LEU  37          HD11      LEU  37 -10.487   6.471  -4.334
  622   HD12  LEU  37          HD12      LEU  37  -9.139   5.722  -5.188
  623   HD13  LEU  37          HD13      LEU  37 -10.626   6.108  -6.053
  624   HD21  LEU  37          HD21      LEU  37  -9.123   3.852  -3.523
  625   HD22  LEU  37          HD22      LEU  37 -10.493   4.553  -2.661
  626   HD23  LEU  37          HD23      LEU  37 -10.586   2.899  -3.264
  627    H    LEU  38           H        LEU  38 -14.095   2.398  -4.670
  628    HA   LEU  38           HA       LEU  38 -12.637   0.193  -5.729
  629    HB2  LEU  38           HB2      LEU  38 -14.885   0.445  -3.764
  630    HB3  LEU  38           HB3      LEU  38 -14.309  -1.125  -4.293
  631    HG   LEU  38           HG       LEU  38 -12.017   0.313  -3.520
  632   HD11  LEU  38          HD11      LEU  38 -13.408   1.896  -2.331
  633   HD12  LEU  38          HD12      LEU  38 -14.241   0.577  -1.507
  634   HD13  LEU  38          HD13      LEU  38 -12.533   0.877  -1.188
  635   HD21  LEU  38          HD21      LEU  38 -11.890  -1.396  -1.774
  636   HD22  LEU  38          HD22      LEU  38 -13.567  -1.838  -2.086
  637   HD23  LEU  38          HD23      LEU  38 -12.343  -2.092  -3.329
  638    H    THR  39           H        THR  39 -15.818   1.524  -6.379
  639    HA   THR  39           HA       THR  39 -16.905  -0.793  -7.609
  640    HB   THR  39           HB       THR  39 -18.472   0.805  -8.789
  641    HG1  THR  39           HG1      THR  39 -17.265   2.771  -7.129
  642   HG21  THR  39          HG21      THR  39 -19.055  -0.206  -6.644
  643   HG22  THR  39          HG22      THR  39 -19.674   1.441  -6.761
  644   HG23  THR  39          HG23      THR  39 -18.233   1.106  -5.798
  645    H    ARG  40           H        ARG  40 -14.911   1.810  -8.768
  646    HA   ARG  40           HA       ARG  40 -15.260   1.026 -11.541
  647    HB2  ARG  40           HB2      ARG  40 -13.631   3.239 -10.288
  648    HB3  ARG  40           HB3      ARG  40 -13.884   3.013 -12.013
  649    HG2  ARG  40           HG2      ARG  40 -16.129   3.447 -10.061
  650    HG3  ARG  40           HG3      ARG  40 -15.318   4.756 -10.919
  651    HD2  ARG  40           HD2      ARG  40 -16.673   2.422 -12.258
  652    HD3  ARG  40           HD3      ARG  40 -17.427   3.994 -11.993
  653    HE   ARG  40           HE       ARG  40 -15.232   4.717 -13.296
  654   HH11  ARG  40          HH12      ARG  40 -17.507   2.133 -13.974
  655   HH12  ARG  40          HH11      ARG  40 -17.243   2.193 -15.695
  656   HH21  ARG  40          HH22      ARG  40 -14.870   4.778 -15.536
  657   HH22  ARG  40          HH21      ARG  40 -15.734   3.683 -16.581
  658    H    GLU  41           H        GLU  41 -12.502   1.469  -9.301
  659    HA   GLU  41           HA       GLU  41 -10.873  -0.036 -11.207
  660    HB2  GLU  41           HB2      GLU  41 -10.263   2.107  -9.255
  661    HB3  GLU  41           HB3      GLU  41  -9.000   0.936  -9.608
  662    HG2  GLU  41           HG2      GLU  41  -9.069   1.455 -11.928
  663    HG3  GLU  41           HG3      GLU  41 -10.481   2.483 -11.718
  664    H    LEU  42           H        LEU  42 -12.406  -0.626  -8.246
  665    HA   LEU  42           HA       LEU  42 -10.573  -2.906  -7.844
  666    HB2  LEU  42           HB2      LEU  42 -11.991  -1.370  -5.667
  667    HB3  LEU  42           HB3      LEU  42 -11.052  -2.828  -5.425
  668    HG   LEU  42           HG       LEU  42  -9.123  -1.382  -6.480
  669   HD11  LEU  42          HD11      LEU  42 -10.491   0.558  -7.016
  670   HD12  LEU  42          HD12      LEU  42 -10.971   0.724  -5.325
  671   HD13  LEU  42          HD13      LEU  42  -9.279   0.970  -5.791
  672   HD21  LEU  42          HD21      LEU  42  -9.121  -2.378  -4.260
  673   HD22  LEU  42          HD22      LEU  42  -8.476  -0.737  -4.213
  674   HD23  LEU  42          HD23      LEU  42 -10.118  -1.054  -3.654
  675    HA   PRO  43           HA       PRO  43 -15.306  -3.812  -8.110
  676    HB2  PRO  43           HB2      PRO  43 -14.740  -5.295 -10.584
  677    HB3  PRO  43           HB3      PRO  43 -15.971  -4.067 -10.269
  678    HG2  PRO  43           HG2      PRO  43 -13.846  -3.559 -11.825
  679    HG3  PRO  43           HG3      PRO  43 -14.546  -2.321 -10.766
  680    HD2  PRO  43           HD2      PRO  43 -12.103  -4.008 -10.349
  681    HD3  PRO  43           HD3      PRO  43 -12.343  -2.277 -10.029
  682    H    SER  44           H        SER  44 -12.507  -5.786  -8.834
  683    HA   SER  44           HA       SER  44 -13.710  -8.301  -8.319
  684    HB2  SER  44           HB2      SER  44 -10.774  -7.580  -8.112
  685    HB3  SER  44           HB3      SER  44 -11.463  -9.172  -8.433
  686    HG   SER  44           HG       SER  44 -10.910  -7.144 -10.165
  687    H    PHE  45           H        PHE  45 -12.745  -5.756  -6.318
  688    HA   PHE  45           HA       PHE  45 -12.221  -7.495  -4.012
  689    HB2  PHE  45           HB2      PHE  45 -11.600  -4.558  -4.400
  690    HB3  PHE  45           HB3      PHE  45 -11.150  -5.533  -3.003
  691    HD1  PHE  45           HD1      PHE  45  -9.502  -7.373  -3.270
  692    HD2  PHE  45           HD2      PHE  45 -10.313  -4.584  -6.381
  693    HE1  PHE  45           HE1      PHE  45  -7.405  -8.016  -4.392
  694    HE2  PHE  45           HE2      PHE  45  -8.219  -5.218  -7.505
  695    HZ   PHE  45           HZ       PHE  45  -6.762  -6.936  -6.510
  696    H    LEU  46           H        LEU  46 -14.887  -6.410  -5.238
  697    HA   LEU  46           HA       LEU  46 -15.903  -5.254  -2.727
  698    HB2  LEU  46           HB2      LEU  46 -16.828  -4.862  -5.557
  699    HB3  LEU  46           HB3      LEU  46 -17.753  -4.331  -4.154
  700    HG   LEU  46           HG       LEU  46 -15.018  -3.373  -4.990
  701   HD11  LEU  46          HD11      LEU  46 -16.157  -1.233  -5.250
  702   HD12  LEU  46          HD12      LEU  46 -16.883  -2.465  -6.282
  703   HD13  LEU  46          HD13      LEU  46 -17.687  -1.982  -4.789
  704   HD21  LEU  46          HD21      LEU  46 -15.157  -1.886  -3.053
  705   HD22  LEU  46          HD22      LEU  46 -16.666  -2.662  -2.566
  706   HD23  LEU  46          HD23      LEU  46 -15.162  -3.583  -2.564
  707    H    GLY  47           H        GLY  47 -16.042  -8.059  -4.550
  708    HA2  GLY  47           HA2      GLY  47 -17.465  -9.870  -4.513
  709    HA3  GLY  47           HA3      GLY  47 -18.207  -9.153  -3.089
  710    H    LYS  48           H        LYS  48 -18.102  -7.194  -5.865
  711    HA   LYS  48           HA       LYS  48 -19.504  -6.633  -7.548
  712    HB2  LYS  48           HB2      LYS  48 -19.755  -9.122  -7.831
  713    HB3  LYS  48           HB3      LYS  48 -21.200  -9.021  -6.836
  714    HG2  LYS  48           HG2      LYS  48 -21.749  -9.067  -9.204
  715    HG3  LYS  48           HG3      LYS  48 -22.241  -7.545  -8.464
  716    HD2  LYS  48           HD2      LYS  48 -21.187  -7.226 -10.672
  717    HD3  LYS  48           HD3      LYS  48 -20.292  -6.430  -9.376
  718    HE2  LYS  48           HE2      LYS  48 -18.740  -8.350  -9.313
  719    HE3  LYS  48           HE3      LYS  48 -19.615  -9.076 -10.661
  720    HZ1  LYS  48           HZ1      LYS  48 -17.586  -7.861 -11.330
  721    HZ2  LYS  48           HZ2      LYS  48 -18.291  -6.420 -10.772
  722    HZ3  LYS  48           HZ3      LYS  48 -18.995  -7.265 -12.063
  723    H    ARG  49           H        ARG  49 -21.427  -7.823  -4.790
  724    HA   ARG  49           HA       ARG  49 -23.482  -5.848  -5.351
  725    HB2  ARG  49           HB2      ARG  49 -24.693  -6.974  -3.470
  726    HB3  ARG  49           HB3      ARG  49 -24.264  -8.042  -4.798
  727    HG2  ARG  49           HG2      ARG  49 -22.416  -8.940  -3.548
  728    HG3  ARG  49           HG3      ARG  49 -22.686  -7.780  -2.248
  729    HD2  ARG  49           HD2      ARG  49 -23.573  -9.958  -1.649
  730    HD3  ARG  49           HD3      ARG  49 -24.877  -8.783  -1.818
  731    HE   ARG  49           HE       ARG  49 -25.388  -9.793  -3.968
  732   HH11  ARG  49          HH12      ARG  49 -23.340 -11.616  -1.787
  733   HH12  ARG  49          HH11      ARG  49 -23.714 -13.150  -2.514
  734   HH21  ARG  49          HH22      ARG  49 -25.884 -11.813  -4.922
  735   HH22  ARG  49          HH21      ARG  49 -25.133 -13.261  -4.312
  736    H    THR  50           H        THR  50 -21.399  -4.351  -4.738
  737    HA   THR  50           HA       THR  50 -21.221  -3.942  -1.880
  738    HB   THR  50           HB       THR  50 -19.863  -1.848  -3.068
  739    HG1  THR  50           HG1      THR  50 -18.771  -3.854  -4.509
  740   HG21  THR  50          HG21      THR  50 -17.889  -3.113  -2.401
  741   HG22  THR  50          HG22      THR  50 -18.846  -4.587  -2.296
  742   HG23  THR  50          HG23      THR  50 -19.153  -3.256  -1.180
  743    H    ASP  51           H        ASP  51 -22.843  -2.989  -0.969
  744    HA   ASP  51           HA       ASP  51 -23.655  -0.362  -2.026
  745    HB2  ASP  51           HB2      ASP  51 -25.413  -2.240  -1.577
  746    HB3  ASP  51           HB3      ASP  51 -25.172  -1.823   0.119
  747    H    GLU  52           H        GLU  52 -24.696   0.580   0.479
  748    HA   GLU  52           HA       GLU  52 -22.289   1.583   1.620
  749    HB2  GLU  52           HB2      GLU  52 -25.093   1.703   2.742
  750    HB3  GLU  52           HB3      GLU  52 -23.745   2.735   3.192
  751    HG2  GLU  52           HG2      GLU  52 -24.900   2.626   0.421
  752    HG3  GLU  52           HG3      GLU  52 -25.432   3.762   1.656
  753    H    ALA  53           H        ALA  53 -23.899  -1.320   2.036
  754    HA   ALA  53           HA       ALA  53 -23.445  -1.764   4.815
  755    HB1  ALA  53           HB1      ALA  53 -24.037  -4.080   4.338
  756    HB2  ALA  53           HB2      ALA  53 -25.176  -2.966   3.580
  757    HB3  ALA  53           HB3      ALA  53 -23.936  -3.758   2.606
  758    H    ALA  54           H        ALA  54 -21.862  -3.180   1.921
  759    HA   ALA  54           HA       ALA  54 -19.793  -4.423   3.387
  760    HB1  ALA  54           HB1      ALA  54 -19.838  -3.599   0.481
  761    HB2  ALA  54           HB2      ALA  54 -18.649  -4.676   1.222
  762    HB3  ALA  54           HB3      ALA  54 -20.348  -5.156   1.135
  763    H    PHE  55           H        PHE  55 -20.198  -1.231   2.111
  764    HA   PHE  55           HA       PHE  55 -17.437  -0.494   2.335
  765    HB2  PHE  55           HB2      PHE  55 -19.968   0.896   1.585
  766    HB3  PHE  55           HB3      PHE  55 -18.564   1.868   2.013
  767    HD1  PHE  55           HD1      PHE  55 -16.519   1.740   0.685
  768    HD2  PHE  55           HD2      PHE  55 -20.040  -0.356  -0.450
  769    HE1  PHE  55           HE1      PHE  55 -15.589   1.403  -1.563
  770    HE2  PHE  55           HE2      PHE  55 -19.115  -0.693  -2.702
  771    HZ   PHE  55           HZ       PHE  55 -16.886   0.183  -3.260
  772    H    GLN  56           H        GLN  56 -20.052  -0.672   4.510
  773    HA   GLN  56           HA       GLN  56 -19.390   1.468   6.234
  774    HB2  GLN  56           HB2      GLN  56 -21.576   0.321   6.237
  775    HB3  GLN  56           HB3      GLN  56 -20.804  -1.123   6.876
  776    HG2  GLN  56           HG2      GLN  56 -20.170   0.123   8.888
  777    HG3  GLN  56           HG3      GLN  56 -20.988   1.548   8.247
  778   HE21  GLN  56          HE21      GLN  56 -21.375  -1.622   9.583
  779   HE22  GLN  56          HE22      GLN  56 -23.076  -1.508   9.901
  780    H    LYS  57           H        LYS  57 -18.595  -2.014   6.378
  781    HA   LYS  57           HA       LYS  57 -17.019  -1.718   8.737
  782    HB2  LYS  57           HB2      LYS  57 -17.963  -3.885   8.295
  783    HB3  LYS  57           HB3      LYS  57 -17.215  -3.949   6.707
  784    HG2  LYS  57           HG2      LYS  57 -15.839  -5.330   7.889
  785    HG3  LYS  57           HG3      LYS  57 -14.990  -3.798   8.062
  786    HD2  LYS  57           HD2      LYS  57 -16.852  -5.012  10.111
  787    HD3  LYS  57           HD3      LYS  57 -15.090  -5.072  10.166
  788    HE2  LYS  57           HE2      LYS  57 -15.097  -2.566  10.209
  789    HE3  LYS  57           HE3      LYS  57 -16.850  -2.637  10.387
  790    HZ1  LYS  57           HZ1      LYS  57 -14.838  -3.751  12.271
  791    HZ2  LYS  57           HZ2      LYS  57 -16.510  -3.964  12.420
  792    HZ3  LYS  57           HZ3      LYS  57 -15.845  -2.410  12.538
  793    H    LEU  58           H        LEU  58 -16.417  -1.731   5.294
  794    HA   LEU  58           HA       LEU  58 -13.638  -1.673   5.260
  795    HB2  LEU  58           HB2      LEU  58 -14.867  -1.830   3.205
  796    HB3  LEU  58           HB3      LEU  58 -15.669  -0.298   3.501
  797    HG   LEU  58           HG       LEU  58 -13.611   0.913   3.144
  798   HD11  LEU  58          HD11      LEU  58 -11.555  -0.255   2.477
  799   HD12  LEU  58          HD12      LEU  58 -12.061  -0.655   4.120
  800   HD13  LEU  58          HD13      LEU  58 -12.342  -1.799   2.810
  801   HD21  LEU  58          HD21      LEU  58 -13.160   0.266   0.773
  802   HD22  LEU  58          HD22      LEU  58 -14.201  -1.134   1.008
  803   HD23  LEU  58          HD23      LEU  58 -14.865   0.491   1.157
  804    H    MET  59           H        MET  59 -15.726   1.161   4.949
  805    HA   MET  59           HA       MET  59 -14.138   3.242   5.443
  806    HB2  MET  59           HB2      MET  59 -16.795   2.916   5.311
  807    HB3  MET  59           HB3      MET  59 -16.640   3.229   7.036
  808    HG2  MET  59           HG2      MET  59 -17.074   5.283   5.898
  809    HG3  MET  59           HG3      MET  59 -15.416   5.300   6.510
  810    HE1  MET  59           HE1      MET  59 -15.623   7.513   4.397
  811    HE2  MET  59           HE2      MET  59 -14.248   6.828   5.278
  812    HE3  MET  59           HE3      MET  59 -14.161   7.029   3.527
  813    H    SER  60           H        SER  60 -15.583   1.265   8.016
  814    HA   SER  60           HA       SER  60 -14.570   2.870  10.127
  815    HB2  SER  60           HB2      SER  60 -16.586   1.333  10.195
  816    HB3  SER  60           HB3      SER  60 -15.435  -0.002  10.315
  817    HG   SER  60           HG       SER  60 -14.598   1.071  12.213
  818    H    ASN  61           H        ASN  61 -13.465  -0.183   8.665
  819    HA   ASN  61           HA       ASN  61 -11.341  -0.558  10.556
  820    HB2  ASN  61           HB2      ASN  61 -11.920  -1.760   7.850
  821    HB3  ASN  61           HB3      ASN  61 -10.467  -2.157   8.757
  822   HD21  ASN  61          HD21      ASN  61 -12.441  -3.985   7.957
  823   HD22  ASN  61          HD22      ASN  61 -13.141  -4.660   9.392
  824    H    LEU  62           H        LEU  62 -11.844   1.145   7.661
  825    HA   LEU  62           HA       LEU  62  -9.111   1.441   6.881
  826    HB2  LEU  62           HB2      LEU  62 -11.530   1.812   5.663
  827    HB3  LEU  62           HB3      LEU  62 -11.026   3.466   5.963
  828    HG   LEU  62           HG       LEU  62  -8.999   3.140   4.711
  829   HD11  LEU  62          HD11      LEU  62  -8.666   0.944   3.545
  830   HD12  LEU  62          HD12      LEU  62  -8.424   0.913   5.293
  831   HD13  LEU  62          HD13      LEU  62  -9.915   0.280   4.594
  832   HD21  LEU  62          HD21      LEU  62  -9.927   2.693   2.496
  833   HD22  LEU  62          HD22      LEU  62 -11.368   1.995   3.235
  834   HD23  LEU  62          HD23      LEU  62 -11.014   3.708   3.441
  835    H    ASP  63           H        ASP  63 -11.515   3.718   8.157
  836    HA   ASP  63           HA       ASP  63  -9.586   5.743   8.703
  837    HB2  ASP  63           HB2      ASP  63 -12.139   5.999   8.341
  838    HB3  ASP  63           HB3      ASP  63 -12.283   5.531  10.030
  839    H    SER  64           H        SER  64  -7.990   5.123  10.050
  840    HA   SER  64           HA       SER  64  -8.269   3.260  12.140
  841    HB2  SER  64           HB2      SER  64  -6.004   3.964  12.773
  842    HB3  SER  64           HB3      SER  64  -6.134   3.767  11.027
  843    HG   SER  64           HG       SER  64  -6.239   5.971  10.783
  844    H    ASN  65           H        ASN  65  -8.873   6.615  11.956
  845    HA   ASN  65           HA       ASN  65  -8.832   6.975  14.852
  846    HB2  ASN  65           HB2      ASN  65  -7.725   8.702  13.673
  847    HB3  ASN  65           HB3      ASN  65  -9.021   8.835  12.496
  848   HD21  ASN  65          HD21      ASN  65 -10.811  10.063  12.984
  849   HD22  ASN  65          HD22      ASN  65 -10.893  11.095  14.370
  850    H    ARG  66           H        ARG  66 -10.963   6.223  12.352
  851    HA   ARG  66           HA       ARG  66 -13.179   5.806  12.264
  852    HB2  ARG  66           HB2      ARG  66 -12.805   6.055  15.213
  853    HB3  ARG  66           HB3      ARG  66 -14.443   6.032  14.572
  854    HG2  ARG  66           HG2      ARG  66 -13.846   3.815  15.203
  855    HG3  ARG  66           HG3      ARG  66 -13.917   3.890  13.445
  856    HD2  ARG  66           HD2      ARG  66 -11.455   4.134  13.399
  857    HD3  ARG  66           HD3      ARG  66 -11.431   3.944  15.153
  858    HE   ARG  66           HE       ARG  66 -12.805   1.766  14.072
  859   HH11  ARG  66          HH12      ARG  66  -9.560   3.075  14.166
  860   HH12  ARG  66          HH11      ARG  66  -8.789   1.545  13.888
  861   HH21  ARG  66          HH22      ARG  66 -11.815  -0.249  13.694
  862   HH22  ARG  66          HH21      ARG  66 -10.083  -0.353  13.597
  863    H    ASP  67           H        ASP  67 -12.400   8.265  11.436
  864    HA   ASP  67           HA       ASP  67 -14.412  10.127  12.484
  865    HB2  ASP  67           HB2      ASP  67 -12.082  10.921  11.996
  866    HB3  ASP  67           HB3      ASP  67 -12.371  10.579  10.292
  867    H    ASN  68           H        ASN  68 -13.931   7.832  10.075
  868    HA   ASN  68           HA       ASN  68 -15.273   6.950   8.486
  869    HB2  ASN  68           HB2      ASN  68 -17.276   8.985   9.481
  870    HB3  ASN  68           HB3      ASN  68 -17.630   7.787   8.241
  871   HD21  ASN  68          HD21      ASN  68 -17.791   5.613   8.817
  872   HD22  ASN  68          HD22      ASN  68 -17.940   5.104  10.463
  873    H    GLU  69           H        GLU  69 -13.525   9.352   8.210
  874    HA   GLU  69           HA       GLU  69 -14.194   9.807   5.406
  875    HB2  GLU  69           HB2      GLU  69 -13.511  11.981   7.392
  876    HB3  GLU  69           HB3      GLU  69 -13.352  12.191   5.654
  877    HG2  GLU  69           HG2      GLU  69 -15.751  11.717   5.400
  878    HG3  GLU  69           HG3      GLU  69 -15.889  11.589   7.153
  879    H    VAL  70           H        VAL  70 -12.577   8.778   4.462
  880    HA   VAL  70           HA       VAL  70 -10.243   8.086   5.917
  881    HB   VAL  70           HB       VAL  70 -11.041   7.605   3.059
  882   HG11  VAL  70          HG11      VAL  70  -8.616   7.660   3.147
  883   HG12  VAL  70          HG12      VAL  70  -8.631   6.526   4.499
  884   HG13  VAL  70          HG13      VAL  70  -9.199   6.013   2.910
  885   HG21  VAL  70          HG21      VAL  70 -11.373   5.324   3.828
  886   HG22  VAL  70          HG22      VAL  70 -10.853   5.785   5.446
  887   HG23  VAL  70          HG23      VAL  70 -12.340   6.453   4.776
  888    H    ASP  71           H        ASP  71  -8.663   9.380   6.292
  889    HA   ASP  71           HA       ASP  71  -7.712  11.415   4.509
  890    HB2  ASP  71           HB2      ASP  71  -7.436  11.364   7.044
  891    HB3  ASP  71           HB3      ASP  71  -6.234  10.099   6.804
  892    H    PHE  72           H        PHE  72  -5.321  11.239   3.730
  893    HA   PHE  72           HA       PHE  72  -5.213   9.094   1.930
  894    HB2  PHE  72           HB2      PHE  72  -4.045  11.216   1.524
  895    HB3  PHE  72           HB3      PHE  72  -2.906  10.824   2.817
  896    HD1  PHE  72           HD2      PHE  72  -4.407   8.983  -0.042
  897    HD2  PHE  72           HD1      PHE  72  -0.874  10.098   2.038
  898    HE1  PHE  72           HE2      PHE  72  -3.082   7.629  -1.595
  899    HE2  PHE  72           HE1      PHE  72   0.447   8.754   0.475
  900    HZ   PHE  72           HZ       PHE  72  -0.614   7.515  -1.292
  901    H    GLN  73           H        GLN  73  -3.889   9.441   5.151
  902    HA   GLN  73           HA       GLN  73  -2.061   7.288   4.971
  903    HB2  GLN  73           HB2      GLN  73  -3.391   8.479   7.402
  904    HB3  GLN  73           HB3      GLN  73  -2.061   7.327   7.447
  905    HG2  GLN  73           HG2      GLN  73  -0.836   9.053   5.967
  906    HG3  GLN  73           HG3      GLN  73  -2.064  10.175   6.548
  907   HE21  GLN  73          HE21      GLN  73  -0.812   7.534   8.452
  908   HE22  GLN  73          HE22      GLN  73   0.039   8.507   9.594
  909    H    GLU  74           H        GLU  74  -5.492   7.448   5.663
  910    HA   GLU  74           HA       GLU  74  -5.640   4.720   6.602
  911    HB2  GLU  74           HB2      GLU  74  -8.044   6.140   5.550
  912    HB3  GLU  74           HB3      GLU  74  -7.887   5.118   6.967
  913    HG2  GLU  74           HG2      GLU  74  -6.998   7.976   6.700
  914    HG3  GLU  74           HG3      GLU  74  -8.367   7.377   7.628
  915    H    TYR  75           H        TYR  75  -5.498   6.398   3.702
  916    HA   TYR  75           HA       TYR  75  -6.884   4.503   2.041
  917    HB2  TYR  75           HB2      TYR  75  -6.808   6.988   1.681
  918    HB3  TYR  75           HB3      TYR  75  -5.107   6.829   1.277
  919    HD1  TYR  75           HD2      TYR  75  -4.639   5.031  -0.632
  920    HD2  TYR  75           HD1      TYR  75  -8.329   7.090  -0.018
  921    HE1  TYR  75           HE2      TYR  75  -5.222   4.628  -2.981
  922    HE2  TYR  75           HE1      TYR  75  -8.917   6.687  -2.394
  923    HH   TYR  75           HH       TYR  75  -7.199   4.519  -4.389
  924    H    CYS  76           H        CYS  76  -3.539   5.331   2.836
  925    HA   CYS  76           HA       CYS  76  -2.270   3.581   1.020
  926    HB2  CYS  76           HB2      CYS  76  -1.316   4.407   3.753
  927    HB3  CYS  76           HB3      CYS  76  -0.323   3.781   2.447
  928    HG   CYS  76           HG       CYS  76   0.266   6.061   1.491
  929    H    VAL  77           H        VAL  77  -3.237   3.131   4.389
  930    HA   VAL  77           HA       VAL  77  -2.395   0.419   4.433
  931    HB   VAL  77           HB       VAL  77  -3.618   0.273   6.578
  932   HG11  VAL  77          HG11      VAL  77  -2.172   1.832   7.767
  933   HG12  VAL  77          HG12      VAL  77  -1.300   1.046   6.453
  934   HG13  VAL  77          HG13      VAL  77  -1.865   2.707   6.263
  935   HG21  VAL  77          HG21      VAL  77  -5.468   1.789   6.078
  936   HG22  VAL  77          HG22      VAL  77  -4.609   2.304   7.531
  937   HG23  VAL  77          HG23      VAL  77  -4.346   3.148   6.004
  938    H    PHE  78           H        PHE  78  -5.219   2.019   3.306
  939    HA   PHE  78           HA       PHE  78  -7.044  -0.062   3.197
  940    HB2  PHE  78           HB2      PHE  78  -7.579   2.216   2.450
  941    HB3  PHE  78           HB3      PHE  78  -6.405   2.091   1.151
  942    HD1  PHE  78           HD2      PHE  78  -9.242  -0.092   2.261
  943    HD2  PHE  78           HD1      PHE  78  -7.363   2.128  -0.838
  944    HE1  PHE  78           HE2      PHE  78 -10.987  -0.821   0.683
  945    HE2  PHE  78           HE1      PHE  78  -9.091   1.419  -2.417
  946    HZ   PHE  78           HZ       PHE  78 -10.914  -0.059  -1.659
  947    H    LEU  79           H        LEU  79  -4.798   0.891   0.624
  948    HA   LEU  79           HA       LEU  79  -5.321  -1.434  -0.882
  949    HB2  LEU  79           HB2      LEU  79  -3.205   0.682  -1.089
  950    HB3  LEU  79           HB3      LEU  79  -3.358  -0.636  -2.242
  951    HG   LEU  79           HG       LEU  79  -5.362   1.526  -1.662
  952   HD11  LEU  79          HD11      LEU  79  -3.894   0.706  -4.163
  953   HD12  LEU  79          HD12      LEU  79  -5.099   1.990  -4.050
  954   HD13  LEU  79          HD13      LEU  79  -3.569   2.138  -3.187
  955   HD21  LEU  79          HD21      LEU  79  -6.867   0.365  -3.163
  956   HD22  LEU  79          HD22      LEU  79  -5.681  -0.925  -3.387
  957   HD23  LEU  79          HD23      LEU  79  -6.436  -0.691  -1.809
  958    H    SER  80           H        SER  80  -2.573  -0.557   1.173
  959    HA   SER  80           HA       SER  80  -1.024  -2.778   0.421
  960    HB2  SER  80           HB2      SER  80  -1.008  -1.151   2.959
  961    HB3  SER  80           HB3      SER  80   0.257  -2.281   2.471
  962    HG   SER  80           HG       SER  80   1.044  -0.712   1.352
  963    H    CYS  81           H        CYS  81  -3.609  -2.396   2.739
  964    HA   CYS  81           HA       CYS  81  -3.237  -5.050   3.786
  965    HB2  CYS  81           HB2      CYS  81  -5.370  -2.975   4.169
  966    HB3  CYS  81           HB3      CYS  81  -5.455  -4.581   4.903
  967    HG   CYS  81           HG       CYS  81  -3.338  -2.023   5.585
  968    H    ILE  82           H        ILE  82  -4.800  -3.657   1.062
  969    HA   ILE  82           HA       ILE  82  -6.507  -5.970   0.682
  970    HB   ILE  82           HB       ILE  82  -5.896  -3.950  -1.475
  971   HG12  ILE  82          HG12      ILE  82  -8.011  -3.793   0.681
  972   HG13  ILE  82          HG13      ILE  82  -6.647  -2.693   0.484
  973   HG21  ILE  82          HG21      ILE  82  -8.395  -5.540  -0.906
  974   HG22  ILE  82          HG22      ILE  82  -8.002  -4.634  -2.369
  975   HG23  ILE  82          HG23      ILE  82  -7.105  -6.105  -1.981
  976   HD11  ILE  82          HD11      ILE  82  -8.688  -1.705  -0.352
  977   HD12  ILE  82          HD12      ILE  82  -7.546  -1.977  -1.668
  978   HD13  ILE  82          HD13      ILE  82  -8.916  -3.065  -1.451
  979    H    ALA  83           H        ALA  83  -3.257  -4.930  -0.173
  980    HA   ALA  83           HA       ALA  83  -2.530  -6.998  -1.884
  981    HB1  ALA  83           HB1      ALA  83  -0.324  -6.915  -0.835
  982    HB2  ALA  83           HB2      ALA  83  -0.955  -5.289  -1.092
  983    HB3  ALA  83           HB3      ALA  83  -0.994  -6.004   0.519
  984    H    MET  84           H        MET  84  -2.555  -6.997   1.656
  985    HA   MET  84           HA       MET  84  -2.192  -9.742   2.033
  986    HB2  MET  84           HB2      MET  84  -3.390  -7.576   3.709
  987    HB3  MET  84           HB3      MET  84  -3.543  -9.251   4.228
  988    HG2  MET  84           HG2      MET  84  -1.171  -9.513   4.318
  989    HG3  MET  84           HG3      MET  84  -0.918  -7.939   3.567
  990    HE1  MET  84           HE1      MET  84  -1.235  -5.653   4.756
  991    HE2  MET  84           HE2      MET  84  -2.937  -6.089   4.912
  992    HE3  MET  84           HE3      MET  84  -2.054  -5.462   6.309
  993    H    MET  85           H        MET  85  -5.142  -7.867   1.520
  994    HA   MET  85           HA       MET  85  -7.005  -9.945   1.722
  995    HB2  MET  85           HB2      MET  85  -7.580  -7.503   1.337
  996    HB3  MET  85           HB3      MET  85  -7.090  -7.725  -0.328
  997    HG2  MET  85           HG2      MET  85  -8.788  -9.698  -0.303
  998    HG3  MET  85           HG3      MET  85  -9.457  -8.843   1.087
  999    HE1  MET  85           HE1      MET  85 -10.782  -5.578  -0.288
 1000    HE2  MET  85           HE2      MET  85 -10.983  -6.822   0.953
 1001    HE3  MET  85           HE3      MET  85  -9.425  -5.997   0.769
 1002    H    CYS  86           H        CYS  86  -5.161  -8.777  -1.086
 1003    HA   CYS  86           HA       CYS  86  -6.301 -10.551  -2.943
 1004    HB2  CYS  86           HB2      CYS  86  -5.104  -8.443  -3.509
 1005    HB3  CYS  86           HB3      CYS  86  -3.586  -9.235  -3.102
 1006    HG   CYS  86           HG       CYS  86  -4.010 -11.256  -5.109
 1007    H    ASN  87           H        ASN  87  -3.868 -11.112  -0.565
 1008    HA   ASN  87           HA       ASN  87  -2.696 -13.403  -1.791
 1009    HB2  ASN  87           HB2      ASN  87  -1.635 -12.247   0.115
 1010    HB3  ASN  87           HB3      ASN  87  -2.968 -12.742   1.153
 1011   HD21  ASN  87          HD21      ASN  87  -3.088 -14.857   1.862
 1012   HD22  ASN  87          HD22      ASN  87  -1.781 -15.973   1.684
 1013    H    GLU  88           H        GLU  88  -5.314 -12.947   0.536
 1014    HA   GLU  88           HA       GLU  88  -6.104 -15.705   0.539
 1015    HB2  GLU  88           HB2      GLU  88  -7.455 -13.180   1.502
 1016    HB3  GLU  88           HB3      GLU  88  -8.125 -14.785   1.731
 1017    HG2  GLU  88           HG2      GLU  88  -5.505 -13.786   2.821
 1018    HG3  GLU  88           HG3      GLU  88  -7.001 -14.006   3.731
 1019    H    PHE  89           H        PHE  89  -7.271 -12.725  -0.898
 1020    HA   PHE  89           HA       PHE  89  -9.472 -13.940  -2.275
 1021    HB2  PHE  89           HB2      PHE  89  -9.015 -11.424  -1.435
 1022    HB3  PHE  89           HB3      PHE  89  -8.450 -11.268  -3.101
 1023    HD1  PHE  89           HD1      PHE  89 -10.002 -11.620  -4.974
 1024    HD2  PHE  89           HD2      PHE  89 -11.317 -11.695  -0.929
 1025    HE1  PHE  89           HE1      PHE  89 -12.329 -11.376  -5.730
 1026    HE2  PHE  89           HE2      PHE  89 -13.646 -11.450  -1.679
 1027    HZ   PHE  89           HZ       PHE  89 -14.155 -11.292  -4.082
 1028    H    PHE  90           H        PHE  90  -6.354 -14.360  -2.778
 1029    HA   PHE  90           HA       PHE  90  -5.689 -13.720  -5.380
 1030    HB2  PHE  90           HB2      PHE  90  -4.312 -14.869  -3.512
 1031    HB3  PHE  90           HB3      PHE  90  -4.960 -16.372  -4.156
 1032    HD1  PHE  90           HD2      PHE  90  -2.822 -13.468  -4.873
 1033    HD2  PHE  90           HD1      PHE  90  -4.145 -17.288  -6.199
 1034    HE1  PHE  90           HE2      PHE  90  -1.011 -13.511  -6.539
 1035    HE2  PHE  90           HE1      PHE  90  -2.336 -17.338  -7.863
 1036    HZ   PHE  90           HZ       PHE  90  -0.769 -15.448  -8.037
 1037    H    GLU  91           H        GLU  91  -7.544 -16.479  -4.177
 1038    HA   GLU  91           HA       GLU  91  -8.112 -17.292  -6.931
 1039    HB2  GLU  91           HB2      GLU  91  -8.513 -18.637  -4.269
 1040    HB3  GLU  91           HB3      GLU  91  -9.267 -19.242  -5.738
 1041    HG2  GLU  91           HG2      GLU  91  -6.309 -18.894  -5.302
 1042    HG3  GLU  91           HG3      GLU  91  -7.195 -20.419  -5.232
 1043    H    GLY  92           H        GLY  92  -9.394 -15.356  -4.548
 1044    HA2  GLY  92           HA2      GLY  92 -11.409 -14.290  -4.298
 1045    HA3  GLY  92           HA3      GLY  92 -11.826 -14.876  -5.906
 1046    H    PHE  93           H        PHE  93 -10.949 -16.912  -3.231
 1047    HA   PHE  93           HA       PHE  93 -11.876 -18.882  -2.629
 1048    HB2  PHE  93           HB2      PHE  93 -13.832 -18.564  -1.114
 1049    HB3  PHE  93           HB3      PHE  93 -12.443 -17.546  -0.769
 1050    HD1  PHE  93           HD1      PHE  93 -12.544 -15.126  -1.202
 1051    HD2  PHE  93           HD2      PHE  93 -15.942 -17.632  -1.741
 1052    HE1  PHE  93           HE1      PHE  93 -14.006 -13.150  -1.174
 1053    HE2  PHE  93           HE2      PHE  93 -17.407 -15.657  -1.725
 1054    HZ   PHE  93           HZ       PHE  93 -16.438 -13.412  -1.440
 1055    HA   PRO  94           HA       PRO  94 -14.894 -20.063  -5.821
 1056    HB2  PRO  94           HB2      PRO  94 -13.205 -22.461  -5.834
 1057    HB3  PRO  94           HB3      PRO  94 -13.711 -21.452  -7.190
 1058    HG2  PRO  94           HG2      PRO  94 -11.160 -21.510  -6.290
 1059    HG3  PRO  94           HG3      PRO  94 -11.891 -20.064  -7.008
 1060    HD2  PRO  94           HD2      PRO  94 -11.407 -20.717  -4.129
 1061    HD3  PRO  94           HD3      PRO  94 -11.249 -19.163  -4.978
 1062    H    ASP  95           H        ASP  95 -16.390 -20.234  -4.149
 1063    HA   ASP  95           HA       ASP  95 -16.063 -21.934  -1.917
 1064    HB2  ASP  95           HB2      ASP  95 -17.549 -19.922  -1.969
 1065    HB3  ASP  95           HB3      ASP  95 -18.659 -20.823  -2.998
 1066    H    LYS  96           H        LYS  96 -15.654 -23.987  -2.464
 1067    HA   LYS  96           HA       LYS  96 -16.969 -25.477  -4.426
 1068    HB2  LYS  96           HB2      LYS  96 -15.938 -27.424  -3.516
 1069    HB3  LYS  96           HB3      LYS  96 -14.795 -26.106  -3.351
 1070    HG2  LYS  96           HG2      LYS  96 -16.551 -27.106  -1.118
 1071    HG3  LYS  96           HG3      LYS  96 -14.899 -27.650  -1.407
 1072    HD2  LYS  96           HD2      LYS  96 -14.106 -25.342  -1.109
 1073    HD3  LYS  96           HD3      LYS  96 -15.764 -24.826  -0.790
 1074    HE2  LYS  96           HE2      LYS  96 -15.852 -26.297   1.156
 1075    HE3  LYS  96           HE3      LYS  96 -14.197 -26.821   0.837
 1076    HZ1  LYS  96           HZ1      LYS  96 -14.405 -25.071   2.561
 1077    HZ2  LYS  96           HZ2      LYS  96 -14.966 -24.003   1.371
 1078    HZ3  LYS  96           HZ3      LYS  96 -13.397 -24.634   1.270
 1079    H    GLN  97           H        GLN  97 -18.882 -26.339  -4.546
 1080    HA   GLN  97           HA       GLN  97 -20.380 -26.982  -2.115
 1081    HB2  GLN  97           HB2      GLN  97 -21.100 -24.726  -2.836
 1082    HB3  GLN  97           HB3      GLN  97 -21.481 -25.365  -4.428
 1083    HG2  GLN  97           HG2      GLN  97 -23.498 -25.113  -3.149
 1084    HG3  GLN  97           HG3      GLN  97 -23.178 -26.827  -3.413
 1085   HE21  GLN  97          HE21      GLN  97 -24.407 -27.463  -1.658
 1086   HE22  GLN  97          HE22      GLN  97 -23.888 -27.204  -0.022
 1087    HA   PRO  98           HA       PRO  98 -20.558 -30.657  -4.680
 1088    HB2  PRO  98           HB2      PRO  98 -22.291 -31.615  -2.482
 1089    HB3  PRO  98           HB3      PRO  98 -20.809 -32.319  -3.137
 1090    HG2  PRO  98           HG2      PRO  98 -20.834 -31.118  -0.748
 1091    HG3  PRO  98           HG3      PRO  98 -19.440 -30.980  -1.837
 1092    HD2  PRO  98           HD2      PRO  98 -21.617 -29.002  -1.283
 1093    HD3  PRO  98           HD3      PRO  98 -19.875 -28.729  -1.510
 1094    H    ARG  99           H        ARG  99 -21.845 -29.933  -6.368
 1095    HA   ARG  99           HA       ARG  99 -24.713 -30.473  -6.001
 1096    HB2  ARG  99           HB2      ARG  99 -23.418 -28.308  -7.652
 1097    HB3  ARG  99           HB3      ARG  99 -25.081 -28.823  -7.898
 1098    HG2  ARG  99           HG2      ARG  99 -25.582 -28.224  -5.561
 1099    HG3  ARG  99           HG3      ARG  99 -23.928 -27.633  -5.385
 1100    HD2  ARG  99           HD2      ARG  99 -25.905 -26.611  -7.419
 1101    HD3  ARG  99           HD3      ARG  99 -25.589 -25.846  -5.862
 1102    HE   ARG  99           HE       ARG  99 -23.230 -25.595  -6.673
 1103   HH11  ARG  99          HH12      ARG  99 -25.842 -25.946  -8.993
 1104   HH12  ARG  99          HH11      ARG  99 -25.041 -25.004 -10.217
 1105   HH21  ARG  99          HH22      ARG  99 -22.188 -24.378  -8.266
 1106   HH22  ARG  99          HH21      ARG  99 -22.965 -24.091  -9.801
 1107    H    LYS 100           H        LYS 100 -24.406 -32.591  -6.636
 1108    HA   LYS 100           HA       LYS 100 -24.630 -32.946  -9.472
 1109    HB2  LYS 100           HB2      LYS 100 -22.204 -33.072  -9.295
 1110    HB3  LYS 100           HB3      LYS 100 -22.334 -34.244  -7.988
 1111    HG2  LYS 100           HG2      LYS 100 -23.410 -35.819  -9.539
 1112    HG3  LYS 100           HG3      LYS 100 -23.196 -34.653 -10.843
 1113    HD2  LYS 100           HD2      LYS 100 -20.803 -34.797 -10.646
 1114    HD3  LYS 100           HD3      LYS 100 -20.945 -35.825  -9.215
 1115    HE2  LYS 100           HE2      LYS 100 -21.905 -36.524 -11.989
 1116    HE3  LYS 100           HE3      LYS 100 -20.433 -37.130 -11.229
 1117    HZ1  LYS 100           HZ1      LYS 100 -23.198 -37.582 -10.226
 1118    HZ2  LYS 100           HZ2      LYS 100 -21.775 -38.181  -9.522
 1119    HZ3  LYS 100           HZ3      LYS 100 -22.257 -38.721 -11.056
 1120    H    LYS 101           H        LYS 101 -26.421 -34.096  -9.520
 1121    HA   LYS 101           HA       LYS 101 -26.491 -36.647  -8.160
 1122    HB2  LYS 101           HB2      LYS 101 -27.477 -35.043  -6.523
 1123    HB3  LYS 101           HB3      LYS 101 -28.694 -34.620  -7.716
 1124    HG2  LYS 101           HG2      LYS 101 -29.568 -36.871  -7.681
 1125    HG3  LYS 101           HG3      LYS 101 -28.291 -37.374  -6.570
 1126    HD2  LYS 101           HD2      LYS 101 -29.140 -35.822  -4.887
 1127    HD3  LYS 101           HD3      LYS 101 -30.406 -35.301  -6.000
 1128    HE2  LYS 101           HE2      LYS 101 -30.048 -38.107  -4.955
 1129    HE3  LYS 101           HE3      LYS 101 -31.214 -36.934  -4.344
 1130    HZ1  LYS 101           HZ1      LYS 101 -32.303 -38.397  -5.865
 1131    HZ2  LYS 101           HZ2      LYS 101 -31.143 -38.112  -7.071
 1132    HZ3  LYS 101           HZ3      LYS 101 -32.193 -36.868  -6.592
 1133    H    MET   1           H1       MET   1  -4.908  -0.678 -21.594
 1134    HA   MET   1           HA       MET   1  -2.354  -0.247 -20.159
 1135    HB2  MET   1           HB2      MET   1  -5.001   1.208 -20.050
 1136    HB3  MET   1           HB3      MET   1  -3.753   1.376 -18.825
 1137    HG2  MET   1           HG2      MET   1  -3.460   2.065 -21.739
 1138    HG3  MET   1           HG3      MET   1  -3.710   3.211 -20.424
 1139    HE1  MET   1           HE1      MET   1  -1.589   4.605 -21.183
 1140    HE2  MET   1           HE2      MET   1   0.001   3.893 -21.460
 1141    HE3  MET   1           HE3      MET   1  -1.347   3.482 -22.522
 1142    H    ALA   2           H        ALA   2  -2.850  -0.357 -17.709
 1143    HA   ALA   2           HA       ALA   2  -4.352  -2.846 -17.275
 1144    HB1  ALA   2           HB1      ALA   2  -1.960  -2.916 -16.714
 1145    HB2  ALA   2           HB2      ALA   2  -2.184  -1.561 -15.607
 1146    HB3  ALA   2           HB3      ALA   2  -2.966  -3.108 -15.276
 1147    H    CYS   3           H        CYS   3  -5.657  -2.946 -15.288
 1148    HA   CYS   3           HA       CYS   3  -7.103  -0.581 -14.701
 1149    HB2  CYS   3           HB2      CYS   3  -6.958  -3.098 -13.031
 1150    HB3  CYS   3           HB3      CYS   3  -8.250  -1.901 -13.038
 1151    HG   CYS   3           HG       CYS   3  -8.863  -4.451 -14.298
 1152    HA   PRO   4           HA       PRO   4  -3.586   1.140 -12.636
 1153    HB2  PRO   4           HB2      PRO   4  -5.757   2.913 -11.607
 1154    HB3  PRO   4           HB3      PRO   4  -4.178   3.354 -12.270
 1155    HG2  PRO   4           HG2      PRO   4  -6.301   3.624 -13.786
 1156    HG3  PRO   4           HG3      PRO   4  -4.852   2.853 -14.478
 1157    HD2  PRO   4           HD2      PRO   4  -7.378   1.586 -13.475
 1158    HD3  PRO   4           HD3      PRO   4  -6.416   1.199 -14.919
 1159    H    LEU   5           H        LEU   5  -6.498   1.425 -10.574
 1160    HA   LEU   5           HA       LEU   5  -4.985   1.018  -8.200
 1161    HB2  LEU   5           HB2      LEU   5  -7.410   2.099  -8.751
 1162    HB3  LEU   5           HB3      LEU   5  -7.894   0.536  -8.119
 1163    HG   LEU   5           HG       LEU   5  -7.908   2.281  -6.398
 1164   HD11  LEU   5          HD11      LEU   5  -6.616   1.085  -4.726
 1165   HD12  LEU   5          HD12      LEU   5  -7.552  -0.007  -5.747
 1166   HD13  LEU   5          HD13      LEU   5  -5.815   0.167  -6.003
 1167   HD21  LEU   5          HD21      LEU   5  -4.938   2.407  -6.879
 1168   HD22  LEU   5          HD22      LEU   5  -6.108   3.684  -7.213
 1169   HD23  LEU   5          HD23      LEU   5  -5.807   3.179  -5.550
 1170    H    GLU   6           H        GLU   6  -6.955  -1.092 -10.237
 1171    HA   GLU   6           HA       GLU   6  -7.191  -3.221  -8.422
 1172    HB2  GLU   6           HB2      GLU   6  -8.597  -3.052 -10.418
 1173    HB3  GLU   6           HB3      GLU   6  -7.191  -3.317 -11.441
 1174    HG2  GLU   6           HG2      GLU   6  -6.932  -5.553 -10.592
 1175    HG3  GLU   6           HG3      GLU   6  -8.231  -5.297  -9.428
 1176    H    LYS   7           H        LYS   7  -4.770  -2.538 -10.921
 1177    HA   LYS   7           HA       LYS   7  -3.373  -4.975 -10.572
 1178    HB2  LYS   7           HB2      LYS   7  -2.496  -2.347 -11.794
 1179    HB3  LYS   7           HB3      LYS   7  -1.509  -3.809 -11.811
 1180    HG2  LYS   7           HG2      LYS   7  -4.244  -3.495 -13.044
 1181    HG3  LYS   7           HG3      LYS   7  -2.710  -3.482 -13.910
 1182    HD2  LYS   7           HD2      LYS   7  -3.692  -5.815 -12.269
 1183    HD3  LYS   7           HD3      LYS   7  -3.955  -5.651 -14.004
 1184    HE2  LYS   7           HE2      LYS   7  -1.569  -5.640 -14.399
 1185    HE3  LYS   7           HE3      LYS   7  -1.254  -5.692 -12.665
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.009  -7.868 -12.508
 1187    HZ2  LYS   7           HZ2      LYS   7  -1.139  -7.864 -13.962
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.831  -7.807 -13.991
 1189    H    ALA   8           H        ALA   8  -3.306  -1.948  -8.891
 1190    HA   ALA   8           HA       ALA   8  -0.833  -2.036  -7.653
 1191    HB1  ALA   8           HB1      ALA   8  -3.441  -1.138  -6.434
 1192    HB2  ALA   8           HB2      ALA   8  -1.829  -0.726  -5.851
 1193    HB3  ALA   8           HB3      ALA   8  -2.369  -0.153  -7.429
 1194    H    LEU   9           H        LEU   9  -3.867  -3.584  -6.559
 1195    HA   LEU   9           HA       LEU   9  -2.590  -4.805  -4.304
 1196    HB2  LEU   9           HB2      LEU   9  -5.236  -5.535  -5.572
 1197    HB3  LEU   9           HB3      LEU   9  -4.668  -6.056  -4.006
 1198    HG   LEU   9           HG       LEU   9  -6.182  -4.377  -3.495
 1199   HD11  LEU   9          HD11      LEU   9  -3.504  -3.029  -3.629
 1200   HD12  LEU   9          HD12      LEU   9  -4.878  -2.509  -2.651
 1201   HD13  LEU   9          HD13      LEU   9  -4.101  -4.059  -2.325
 1202   HD21  LEU   9          HD21      LEU   9  -6.335  -2.229  -4.589
 1203   HD22  LEU   9          HD22      LEU   9  -4.981  -2.643  -5.640
 1204   HD23  LEU   9          HD23      LEU   9  -6.500  -3.527  -5.772
 1205    H    ASP  10           H        ASP  10  -3.474  -5.827  -7.540
 1206    HA   ASP  10           HA       ASP  10  -2.966  -8.571  -7.301
 1207    HB2  ASP  10           HB2      ASP  10  -4.128  -7.885  -9.227
 1208    HB3  ASP  10           HB3      ASP  10  -2.939  -6.651  -9.619
 1209    H    VAL  11           H        VAL  11  -0.806  -5.933  -8.311
 1210    HA   VAL  11           HA       VAL  11   1.383  -7.688  -8.816
 1211    HB   VAL  11           HB       VAL  11   2.715  -5.722  -9.159
 1212   HG11  VAL  11          HG11      VAL  11   1.382  -4.606 -10.862
 1213   HG12  VAL  11          HG12      VAL  11   1.122  -6.349 -10.902
 1214   HG13  VAL  11          HG13      VAL  11  -0.090  -5.291 -10.177
 1215   HG21  VAL  11          HG21      VAL  11   0.427  -4.161  -7.959
 1216   HG22  VAL  11          HG22      VAL  11   2.005  -4.423  -7.217
 1217   HG23  VAL  11          HG23      VAL  11   1.873  -3.470  -8.697
 1218    H    MET  12           H        MET  12   0.175  -6.113  -5.997
 1219    HA   MET  12           HA       MET  12   2.455  -5.977  -4.403
 1220    HB2  MET  12           HB2      MET  12  -0.453  -6.344  -3.830
 1221    HB3  MET  12           HB3      MET  12   0.715  -6.478  -2.522
 1222    HG2  MET  12           HG2      MET  12   1.436  -4.262  -2.797
 1223    HG3  MET  12           HG3      MET  12   0.631  -4.118  -4.359
 1224    HE1  MET  12           HE1      MET  12  -0.056  -1.713  -3.075
 1225    HE2  MET  12           HE2      MET  12  -1.130  -1.697  -1.664
 1226    HE3  MET  12           HE3      MET  12   0.528  -2.291  -1.506
 1227    H    VAL  13           H        VAL  13   0.214  -8.697  -4.901
 1228    HA   VAL  13           HA       VAL  13   2.021 -10.429  -3.411
 1229    HB   VAL  13           HB       VAL  13   0.334 -12.195  -3.739
 1230   HG11  VAL  13          HG11      VAL  13   0.231 -10.778  -1.775
 1231   HG12  VAL  13          HG12      VAL  13  -0.734  -9.593  -2.657
 1232   HG13  VAL  13          HG13      VAL  13  -1.397 -11.193  -2.313
 1233   HG21  VAL  13          HG21      VAL  13  -1.229 -10.041  -5.153
 1234   HG22  VAL  13          HG22      VAL  13  -0.586 -11.517  -5.875
 1235   HG23  VAL  13          HG23      VAL  13  -1.864 -11.611  -4.663
 1236    H    SER  14           H        SER  14   1.343  -9.592  -6.679
 1237    HA   SER  14           HA       SER  14   2.308 -12.030  -7.844
 1238    HB2  SER  14           HB2      SER  14   0.680 -10.481  -8.964
 1239    HB3  SER  14           HB3      SER  14   1.999  -9.329  -9.172
 1240    HG   SER  14           HG       SER  14   1.353 -11.190 -10.822
 1241    H    THR  15           H        THR  15   3.617  -8.698  -7.826
 1242    HA   THR  15           HA       THR  15   6.204  -9.374  -8.704
 1243    HB   THR  15           HB       THR  15   5.406  -7.038  -6.942
 1244    HG1  THR  15           HG1      THR  15   5.507  -6.163  -9.363
 1245   HG21  THR  15          HG21      THR  15   7.835  -7.354  -7.180
 1246   HG22  THR  15          HG22      THR  15   7.283  -5.885  -7.984
 1247   HG23  THR  15          HG23      THR  15   7.660  -7.323  -8.934
 1248    H    PHE  16           H        PHE  16   4.655  -9.365  -5.606
 1249    HA   PHE  16           HA       PHE  16   6.688  -9.691  -3.787
 1250    HB2  PHE  16           HB2      PHE  16   4.240  -9.573  -3.341
 1251    HB3  PHE  16           HB3      PHE  16   4.085 -11.222  -3.915
 1252    HD1  PHE  16           HD2      PHE  16   6.080  -9.299  -1.421
 1253    HD2  PHE  16           HD1      PHE  16   3.933 -12.848  -2.341
 1254    HE1  PHE  16           HE2      PHE  16   6.426 -10.100   0.878
 1255    HE2  PHE  16           HE1      PHE  16   4.267 -13.652  -0.046
 1256    HZ   PHE  16           HZ       PHE  16   5.515 -12.276   1.568
 1257    H    HIS  17           H        HIS  17   4.892 -12.428  -5.201
 1258    HA   HIS  17           HA       HIS  17   6.778 -14.385  -4.424
 1259    HB2  HIS  17           HB2      HIS  17   4.477 -14.381  -6.365
 1260    HB3  HIS  17           HB3      HIS  17   5.517 -15.791  -6.199
 1261    HD1  HIS  17           HD1      HIS  17   4.695 -17.452  -4.570
 1262    HD2  HIS  17           HD2      HIS  17   3.338 -13.622  -3.689
 1263    HE1  HIS  17           HE1      HIS  17   3.239 -17.701  -2.540
 1264    HE2  HIS  17           HE2      HIS  17   2.626 -15.347  -1.887
 1265    H    LYS  18           H        LYS  18   6.789 -12.175  -6.974
 1266    HA   LYS  18           HA       LYS  18   8.172 -13.693  -8.940
 1267    HB2  LYS  18           HB2      LYS  18   6.797 -11.794  -9.536
 1268    HB3  LYS  18           HB3      LYS  18   7.783 -10.724  -8.556
 1269    HG2  LYS  18           HG2      LYS  18   9.660 -11.045 -10.075
 1270    HG3  LYS  18           HG3      LYS  18   8.683 -12.149 -11.050
 1271    HD2  LYS  18           HD2      LYS  18   7.131 -10.392 -11.583
 1272    HD3  LYS  18           HD3      LYS  18   7.941  -9.284 -10.478
 1273    HE2  LYS  18           HE2      LYS  18   9.945  -9.355 -11.874
 1274    HE3  LYS  18           HE3      LYS  18   9.140 -10.474 -12.975
 1275    HZ1  LYS  18           HZ1      LYS  18   9.093  -8.133 -13.723
 1276    HZ2  LYS  18           HZ2      LYS  18   8.160  -7.732 -12.365
 1277    HZ3  LYS  18           HZ3      LYS  18   7.547  -8.803 -13.535
 1278    H    TYR  19           H        TYR  19   9.181 -11.835  -6.162
 1279    HA   TYR  19           HA       TYR  19  11.979 -12.178  -7.029
 1280    HB2  TYR  19           HB2      TYR  19  10.737  -9.884  -5.518
 1281    HB3  TYR  19           HB3      TYR  19  12.478 -10.140  -5.615
 1282    HD1  TYR  19           HD1      TYR  19  13.631  -9.972  -7.798
 1283    HD2  TYR  19           HD2      TYR  19   9.514  -8.996  -7.371
 1284    HE1  TYR  19           HE1      TYR  19  13.693  -8.794  -9.957
 1285    HE2  TYR  19           HE2      TYR  19   9.566  -7.815  -9.524
 1286    HH   TYR  19           HH       TYR  19  12.260  -8.041 -11.686
 1287    H    SER  20           H        SER  20   9.752 -12.332  -4.294
 1288    HA   SER  20           HA       SER  20  11.669 -12.704  -2.277
 1289    HB2  SER  20           HB2      SER  20   9.762 -13.754  -1.014
 1290    HB3  SER  20           HB3      SER  20   9.406 -12.163  -1.688
 1291    HG   SER  20           HG       SER  20   7.914 -14.162  -2.009
 1292    H    GLY  21           H        GLY  21  10.129 -14.973  -4.472
 1293    HA2  GLY  21           HA2      GLY  21  11.157 -17.283  -3.074
 1294    HA3  GLY  21           HA3      GLY  21  10.226 -17.292  -4.562
 1295    H    LYS  22           H        LYS  22  12.971 -15.217  -4.494
 1296    HA   LYS  22           HA       LYS  22  14.310 -16.957  -6.404
 1297    HB2  LYS  22           HB2      LYS  22  14.725 -14.103  -5.553
 1298    HB3  LYS  22           HB3      LYS  22  15.942 -14.958  -6.492
 1299    HG2  LYS  22           HG2      LYS  22  14.090 -15.418  -8.171
 1300    HG3  LYS  22           HG3      LYS  22  13.147 -14.216  -7.283
 1301    HD2  LYS  22           HD2      LYS  22  14.894 -12.555  -7.652
 1302    HD3  LYS  22           HD3      LYS  22  15.866 -13.754  -8.506
 1303    HE2  LYS  22           HE2      LYS  22  13.946 -13.979 -10.124
 1304    HE3  LYS  22           HE3      LYS  22  13.234 -12.565  -9.348
 1305    HZ1  LYS  22           HZ1      LYS  22  15.843 -12.703 -10.759
 1306    HZ2  LYS  22           HZ2      LYS  22  15.323 -11.358  -9.870
 1307    HZ3  LYS  22           HZ3      LYS  22  14.462 -11.848 -11.251
 1308    H    GLU  23           H        GLU  23  15.305 -15.080  -3.552
 1309    HA   GLU  23           HA       GLU  23  17.455 -17.055  -3.093
 1310    HB2  GLU  23           HB2      GLU  23  17.207 -14.197  -2.128
 1311    HB3  GLU  23           HB3      GLU  23  18.542 -15.277  -1.759
 1312    HG2  GLU  23           HG2      GLU  23  17.788 -14.427  -4.542
 1313    HG3  GLU  23           HG3      GLU  23  19.000 -13.617  -3.550
 1314    H    GLY  24           H        GLY  24  14.919 -15.153  -1.509
 1315    HA2  GLY  24           HA2      GLY  24  15.347 -16.577   1.001
 1316    HA3  GLY  24           HA3      GLY  24  14.236 -15.242   0.735
 1317    H    ASP  25           H        ASP  25  12.407 -16.118   1.528
 1318    HA   ASP  25           HA       ASP  25  11.503 -18.675   0.412
 1319    HB2  ASP  25           HB2      ASP  25  11.491 -18.209   2.940
 1320    HB3  ASP  25           HB3      ASP  25  10.146 -17.117   2.616
 1321    H    LYS  26           H        LYS  26   9.028 -18.689  -0.011
 1322    HA   LYS  26           HA       LYS  26   8.697 -17.040  -2.278
 1323    HB2  LYS  26           HB2      LYS  26   6.535 -18.591  -0.835
 1324    HB3  LYS  26           HB3      LYS  26   6.530 -18.095  -2.518
 1325    HG2  LYS  26           HG2      LYS  26   8.477 -20.050  -1.310
 1326    HG3  LYS  26           HG3      LYS  26   7.014 -20.493  -2.188
 1327    HD2  LYS  26           HD2      LYS  26   9.200 -18.800  -3.372
 1328    HD3  LYS  26           HD3      LYS  26   9.158 -20.556  -3.511
 1329    HE2  LYS  26           HE2      LYS  26   6.877 -20.323  -4.529
 1330    HE3  LYS  26           HE3      LYS  26   7.141 -18.581  -4.563
 1331    HZ1  LYS  26           HZ1      LYS  26   7.664 -19.771  -6.670
 1332    HZ2  LYS  26           HZ2      LYS  26   8.960 -20.526  -5.873
 1333    HZ3  LYS  26           HZ3      LYS  26   8.941 -18.838  -6.058
 1334    H    PHE  27           H        PHE  27   8.056 -16.441   0.990
 1335    HA   PHE  27           HA       PHE  27   6.509 -14.044   0.272
 1336    HB2  PHE  27           HB2      PHE  27   5.343 -14.388   2.542
 1337    HB3  PHE  27           HB3      PHE  27   4.835 -15.396   1.193
 1338    HD1  PHE  27           HD2      PHE  27   6.911 -15.357   4.255
 1339    HD2  PHE  27           HD1      PHE  27   4.960 -17.725   1.307
 1340    HE1  PHE  27           HE2      PHE  27   7.313 -17.369   5.612
 1341    HE2  PHE  27           HE1      PHE  27   5.351 -19.740   2.660
 1342    HZ   PHE  27           HZ       PHE  27   6.531 -19.564   4.816
 1343    H    LYS  28           H        LYS  28   9.395 -14.870   1.176
 1344    HA   LYS  28           HA       LYS  28   9.597 -12.713   3.179
 1345    HB2  LYS  28           HB2      LYS  28  11.419 -15.109   2.896
 1346    HB3  LYS  28           HB3      LYS  28  11.586 -13.820   4.077
 1347    HG2  LYS  28           HG2      LYS  28   9.236 -15.689   3.928
 1348    HG3  LYS  28           HG3      LYS  28  10.631 -15.917   4.981
 1349    HD2  LYS  28           HD2      LYS  28  10.127 -13.656   5.963
 1350    HD3  LYS  28           HD3      LYS  28   8.616 -13.678   5.048
 1351    HE2  LYS  28           HE2      LYS  28   7.896 -15.673   6.190
 1352    HE3  LYS  28           HE3      LYS  28   9.447 -15.808   7.014
 1353    HZ1  LYS  28           HZ1      LYS  28   7.927 -14.882   8.539
 1354    HZ2  LYS  28           HZ2      LYS  28   7.354 -13.745   7.419
 1355    HZ3  LYS  28           HZ3      LYS  28   8.926 -13.603   8.041
 1356    H    LEU  29           H        LEU  29  10.531 -10.964   2.329
 1357    HA   LEU  29           HA       LEU  29  12.546 -11.369   0.225
 1358    HB2  LEU  29           HB2      LEU  29  10.909  -8.936   0.922
 1359    HB3  LEU  29           HB3      LEU  29  12.269  -8.890  -0.179
 1360    HG   LEU  29           HG       LEU  29  10.879 -10.806  -1.390
 1361   HD11  LEU  29          HD11      LEU  29   8.463 -10.105  -1.302
 1362   HD12  LEU  29          HD12      LEU  29   9.069 -10.990   0.102
 1363   HD13  LEU  29          HD13      LEU  29   8.868  -9.242   0.181
 1364   HD21  LEU  29          HD21      LEU  29  11.606  -8.714  -2.403
 1365   HD22  LEU  29          HD22      LEU  29   9.935  -9.077  -2.837
 1366   HD23  LEU  29          HD23      LEU  29  10.283  -7.858  -1.610
 1367    H    ASN  30           H        ASN  30  14.551 -11.402   1.000
 1368    HA   ASN  30           HA       ASN  30  15.292  -9.738   3.252
 1369    HB2  ASN  30           HB2      ASN  30  17.501 -10.680   3.052
 1370    HB3  ASN  30           HB3      ASN  30  16.337 -11.988   2.889
 1371   HD21  ASN  30          HD21      ASN  30  16.172 -13.078   0.993
 1372   HD22  ASN  30          HD22      ASN  30  17.258 -12.834  -0.330
 1373    H    LYS  31           H        LYS  31  17.737  -8.721   2.566
 1374    HA   LYS  31           HA       LYS  31  17.043  -6.308   1.414
 1375    HB2  LYS  31           HB2      LYS  31  19.802  -7.550   1.501
 1376    HB3  LYS  31           HB3      LYS  31  19.457  -5.850   1.229
 1377    HG2  LYS  31           HG2      LYS  31  18.370  -5.795   3.473
 1378    HG3  LYS  31           HG3      LYS  31  18.966  -7.435   3.732
 1379    HD2  LYS  31           HD2      LYS  31  20.665  -5.006   3.167
 1380    HD3  LYS  31           HD3      LYS  31  20.435  -5.766   4.738
 1381    HE2  LYS  31           HE2      LYS  31  21.674  -7.074   2.326
 1382    HE3  LYS  31           HE3      LYS  31  22.556  -6.422   3.704
 1383    HZ1  LYS  31           HZ1      LYS  31  22.320  -8.787   3.924
 1384    HZ2  LYS  31           HZ2      LYS  31  20.637  -8.687   3.758
 1385    HZ3  LYS  31           HZ3      LYS  31  21.392  -8.029   5.125
 1386    H    SER  32           H        SER  32  18.671  -9.074  -0.095
 1387    HA   SER  32           HA       SER  32  19.165  -7.859  -2.587
 1388    HB2  SER  32           HB2      SER  32  20.273  -9.935  -1.734
 1389    HB3  SER  32           HB3      SER  32  18.775 -10.812  -2.038
 1390    HG   SER  32           HG       SER  32  19.077 -10.653  -4.171
 1391    H    GLU  33           H        GLU  33  16.366  -9.582  -1.339
 1392    HA   GLU  33           HA       GLU  33  15.115 -10.007  -3.868
 1393    HB2  GLU  33           HB2      GLU  33  13.721  -9.879  -1.196
 1394    HB3  GLU  33           HB3      GLU  33  13.215 -10.754  -2.633
 1395    HG2  GLU  33           HG2      GLU  33  15.627 -11.382  -0.952
 1396    HG3  GLU  33           HG3      GLU  33  14.088 -12.237  -0.912
 1397    H    LEU  34           H        LEU  34  14.613  -7.712  -1.223
 1398    HA   LEU  34           HA       LEU  34  12.606  -6.209  -2.509
 1399    HB2  LEU  34           HB2      LEU  34  14.437  -5.741  -0.203
 1400    HB3  LEU  34           HB3      LEU  34  13.554  -4.385  -0.869
 1401    HG   LEU  34           HG       LEU  34  12.229  -6.905   0.118
 1402   HD11  LEU  34          HD11      LEU  34  11.595  -5.568   2.072
 1403   HD12  LEU  34          HD12      LEU  34  13.343  -5.780   1.963
 1404   HD13  LEU  34          HD13      LEU  34  12.609  -4.248   1.491
 1405   HD21  LEU  34          HD21      LEU  34  10.944  -5.685  -1.536
 1406   HD22  LEU  34          HD22      LEU  34  10.219  -5.492   0.061
 1407   HD23  LEU  34          HD23      LEU  34  11.175  -4.181  -0.638
 1408    H    LYS  35           H        LYS  35  16.118  -6.015  -2.543
 1409    HA   LYS  35           HA       LYS  35  16.313  -3.530  -3.817
 1410    HB2  LYS  35           HB2      LYS  35  18.203  -4.905  -2.769
 1411    HB3  LYS  35           HB3      LYS  35  18.258  -5.778  -4.297
 1412    HG2  LYS  35           HG2      LYS  35  18.916  -3.869  -5.494
 1413    HG3  LYS  35           HG3      LYS  35  18.456  -2.786  -4.179
 1414    HD2  LYS  35           HD2      LYS  35  20.828  -2.918  -4.174
 1415    HD3  LYS  35           HD3      LYS  35  20.257  -3.867  -2.799
 1416    HE2  LYS  35           HE2      LYS  35  20.464  -5.906  -4.187
 1417    HE3  LYS  35           HE3      LYS  35  21.147  -4.915  -5.472
 1418    HZ1  LYS  35           HZ1      LYS  35  22.969  -4.315  -3.993
 1419    HZ2  LYS  35           HZ2      LYS  35  22.869  -6.000  -4.177
 1420    HZ3  LYS  35           HZ3      LYS  35  22.299  -5.270  -2.761
 1421    H    GLU  36           H        GLU  36  16.336  -6.819  -5.241
 1422    HA   GLU  36           HA       GLU  36  16.262  -5.948  -7.904
 1423    HB2  GLU  36           HB2      GLU  36  15.571  -8.471  -6.516
 1424    HB3  GLU  36           HB3      GLU  36  14.903  -8.222  -8.120
 1425    HG2  GLU  36           HG2      GLU  36  17.173  -7.814  -8.972
 1426    HG3  GLU  36           HG3      GLU  36  17.807  -8.204  -7.377
 1427    H    LEU  37           H        LEU  37  13.680  -6.521  -5.586
 1428    HA   LEU  37           HA       LEU  37  11.433  -6.186  -7.159
 1429    HB2  LEU  37           HB2      LEU  37  11.684  -6.631  -4.623
 1430    HB3  LEU  37           HB3      LEU  37  11.725  -4.885  -4.467
 1431    HG   LEU  37           HG       LEU  37   9.475  -5.077  -5.866
 1432   HD11  LEU  37          HD11      LEU  37   9.596  -7.676  -4.337
 1433   HD12  LEU  37          HD12      LEU  37   8.195  -7.029  -5.192
 1434   HD13  LEU  37          HD13      LEU  37   9.631  -7.510  -6.095
 1435   HD21  LEU  37          HD21      LEU  37   8.266  -4.991  -3.746
 1436   HD22  LEU  37          HD22      LEU  37   9.699  -5.584  -2.903
 1437   HD23  LEU  37          HD23      LEU  37   9.730  -4.006  -3.691
 1438    H    LEU  38           H        LEU  38  13.153  -3.649  -5.354
 1439    HA   LEU  38           HA       LEU  38  11.607  -1.566  -6.535
 1440    HB2  LEU  38           HB2      LEU  38  13.964  -1.616  -4.685
 1441    HB3  LEU  38           HB3      LEU  38  13.356  -0.105  -5.339
 1442    HG   LEU  38           HG       LEU  38  11.118  -1.465  -4.283
 1443   HD11  LEU  38          HD11      LEU  38  12.598  -2.895  -3.008
 1444   HD12  LEU  38          HD12      LEU  38  13.466  -1.486  -2.395
 1445   HD13  LEU  38          HD13      LEU  38  11.783  -1.753  -1.937
 1446   HD21  LEU  38          HD21      LEU  38  11.077   0.425  -2.730
 1447   HD22  LEU  38          HD22      LEU  38  12.727   0.843  -3.193
 1448   HD23  LEU  38          HD23      LEU  38  11.424   0.951  -4.378
 1449    H    THR  39           H        THR  39  14.799  -2.917  -7.229
 1450    HA   THR  39           HA       THR  39  15.750  -0.758  -8.788
 1451    HB   THR  39           HB       THR  39  17.240  -2.467  -9.890
 1452    HG1  THR  39           HG1      THR  39  16.204  -4.276  -7.967
 1453   HG21  THR  39          HG21      THR  39  17.930  -1.274  -7.875
 1454   HG22  THR  39          HG22      THR  39  18.540  -2.932  -7.886
 1455   HG23  THR  39          HG23      THR  39  17.153  -2.510  -6.885
 1456    H    ARG  40           H        ARG  40  13.705  -3.474  -9.528
 1457    HA   ARG  40           HA       ARG  40  13.873  -2.999 -12.385
 1458    HB2  ARG  40           HB2      ARG  40  12.371  -5.064 -10.780
 1459    HB3  ARG  40           HB3      ARG  40  12.487  -5.039 -12.537
 1460    HG2  ARG  40           HG2      ARG  40  14.865  -5.249 -10.706
 1461    HG3  ARG  40           HG3      ARG  40  14.016  -6.643 -11.373
 1462    HD2  ARG  40           HD2      ARG  40  15.265  -4.456 -13.027
 1463    HD3  ARG  40           HD3      ARG  40  16.053  -5.987 -12.636
 1464    HE   ARG  40           HE       ARG  40  13.805  -6.871 -13.730
 1465   HH11  ARG  40          HH12      ARG  40  15.992  -4.349 -14.816
 1466   HH12  ARG  40          HH11      ARG  40  15.591  -4.555 -16.496
 1467   HH21  ARG  40          HH22      ARG  40  13.297  -7.158 -15.935
 1468   HH22  ARG  40          HH21      ARG  40  14.076  -6.165 -17.136
 1469    H    GLU  41           H        GLU  41  11.257  -3.224  -9.944
 1470    HA   GLU  41           HA       GLU  41   9.507  -1.929 -11.897
 1471    HB2  GLU  41           HB2      GLU  41   9.023  -3.862  -9.706
 1472    HB3  GLU  41           HB3      GLU  41   7.735  -2.733 -10.098
 1473    HG2  GLU  41           HG2      GLU  41   7.648  -3.489 -12.365
 1474    HG3  GLU  41           HG3      GLU  41   9.094  -4.485 -12.131
 1475    H    LEU  42           H        LEU  42  11.203  -1.032  -9.100
 1476    HA   LEU  42           HA       LEU  42   9.362   1.268  -8.846
 1477    HB2  LEU  42           HB2      LEU  42  10.918  -0.032  -6.611
 1478    HB3  LEU  42           HB3      LEU  42  10.018   1.460  -6.464
 1479    HG   LEU  42           HG       LEU  42   8.000  -0.041  -7.238
 1480   HD11  LEU  42          HD11      LEU  42   9.318  -2.026  -7.680
 1481   HD12  LEU  42          HD12      LEU  42   9.869  -2.045  -6.004
 1482   HD13  LEU  42          HD13      LEU  42   8.163  -2.304  -6.374
 1483   HD21  LEU  42          HD21      LEU  42   8.135   1.141  -5.124
 1484   HD22  LEU  42          HD22      LEU  42   7.511  -0.490  -4.878
 1485   HD23  LEU  42          HD23      LEU  42   9.185  -0.114  -4.468
 1486    HA   PRO  43           HA       PRO  43  14.054   2.187  -9.480
 1487    HB2  PRO  43           HB2      PRO  43  13.322   3.393 -12.054
 1488    HB3  PRO  43           HB3      PRO  43  14.587   2.219 -11.691
 1489    HG2  PRO  43           HG2      PRO  43  12.382   1.530 -13.057
 1490    HG3  PRO  43           HG3      PRO  43  13.162   0.416 -11.920
 1491    HD2  PRO  43           HD2      PRO  43  10.723   2.113 -11.534
 1492    HD3  PRO  43           HD3      PRO  43  11.009   0.427 -11.047
 1493    H    SER  44           H        SER  44  11.181   4.039 -10.230
 1494    HA   SER  44           HA       SER  44  12.371   6.611 -10.063
 1495    HB2  SER  44           HB2      SER  44   9.462   5.904  -9.646
 1496    HB3  SER  44           HB3      SER  44  10.123   7.448 -10.190
 1497    HG   SER  44           HG       SER  44   9.524   5.207 -11.628
 1498    H    PHE  45           H        PHE  45  10.847   4.476  -7.724
 1499    HA   PHE  45           HA       PHE  45  10.711   6.515  -5.676
 1500    HB2  PHE  45           HB2      PHE  45  10.228   3.560  -5.289
 1501    HB3  PHE  45           HB3      PHE  45   9.591   4.903  -4.350
 1502    HD1  PHE  45           HD2      PHE  45   7.920   6.461  -5.498
 1503    HD2  PHE  45           HD1      PHE  45   9.038   2.655  -7.027
 1504    HE1  PHE  45           HE2      PHE  45   5.866   6.401  -6.851
 1505    HE2  PHE  45           HE1      PHE  45   6.994   2.586  -8.380
 1506    HZ   PHE  45           HZ       PHE  45   5.406   4.450  -8.295
 1507    H    LEU  46           H        LEU  46  13.352   5.398  -6.818
 1508    HA   LEU  46           HA       LEU  46  14.455   4.551  -4.236
 1509    HB2  LEU  46           HB2      LEU  46  15.892   4.580  -6.894
 1510    HB3  LEU  46           HB3      LEU  46  16.433   3.837  -5.403
 1511    HG   LEU  46           HG       LEU  46  14.303   2.918  -7.293
 1512   HD11  LEU  46          HD11      LEU  46  16.626   1.542  -5.963
 1513   HD12  LEU  46          HD12      LEU  46  15.495   0.795  -7.092
 1514   HD13  LEU  46          HD13      LEU  46  16.553   2.097  -7.636
 1515   HD21  LEU  46          HD21      LEU  46  14.487   2.295  -4.353
 1516   HD22  LEU  46          HD22      LEU  46  13.088   2.771  -5.313
 1517   HD23  LEU  46          HD23      LEU  46  13.778   1.163  -5.507
 1518    H    GLY  47           H        GLY  47  14.198   7.194  -6.334
 1519    HA2  GLY  47           HA2      GLY  47  14.833   9.385  -6.099
 1520    HA3  GLY  47           HA3      GLY  47  15.482   8.972  -4.522
 1521    H    LYS  48           H        LYS  48  17.322   6.996  -5.434
 1522    HA   LYS  48           HA       LYS  48  18.984   8.318  -7.441
 1523    HB2  LYS  48           HB2      LYS  48  19.815   9.139  -5.271
 1524    HB3  LYS  48           HB3      LYS  48  20.029   7.481  -4.726
 1525    HG2  LYS  48           HG2      LYS  48  22.146   8.452  -5.403
 1526    HG3  LYS  48           HG3      LYS  48  21.704   7.117  -6.466
 1527    HD2  LYS  48           HD2      LYS  48  22.555   8.909  -7.817
 1528    HD3  LYS  48           HD3      LYS  48  20.818   8.786  -8.090
 1529    HE2  LYS  48           HE2      LYS  48  21.445  11.112  -7.891
 1530    HE3  LYS  48           HE3      LYS  48  20.467  10.644  -6.501
 1531    HZ1  LYS  48           HZ1      LYS  48  22.372  10.557  -5.128
 1532    HZ2  LYS  48           HZ2      LYS  48  22.486  12.014  -5.995
 1533    HZ3  LYS  48           HZ3      LYS  48  23.431  10.678  -6.445
 1534    H    ARG  49           H        ARG  49  19.446   5.638  -5.139
 1535    HA   ARG  49           HA       ARG  49  18.888   3.562  -6.933
 1536    HB2  ARG  49           HB2      ARG  49  20.942   4.486  -8.056
 1537    HB3  ARG  49           HB3      ARG  49  21.852   4.069  -6.610
 1538    HG2  ARG  49           HG2      ARG  49  22.116   2.395  -8.365
 1539    HG3  ARG  49           HG3      ARG  49  21.332   1.719  -6.934
 1540    HD2  ARG  49           HD2      ARG  49  20.182   0.916  -8.882
 1541    HD3  ARG  49           HD3      ARG  49  19.135   2.061  -8.042
 1542    HE   ARG  49           HE       ARG  49  20.568   3.474  -9.984
 1543   HH11  ARG  49          HH12      ARG  49  18.210   0.893  -9.844
 1544   HH12  ARG  49          HH11      ARG  49  17.426   1.339 -11.332
 1545   HH21  ARG  49          HH22      ARG  49  19.537   4.085 -11.944
 1546   HH22  ARG  49          HH21      ARG  49  18.173   3.167 -12.508
 1547    H    THR  50           H        THR  50  19.137   1.518  -5.963
 1548    HA   THR  50           HA       THR  50  19.448   1.605  -3.088
 1549    HB   THR  50           HB       THR  50  18.810  -0.873  -3.359
 1550    HG1  THR  50           HG1      THR  50  19.274  -0.841  -5.679
 1551   HG21  THR  50          HG21      THR  50  17.263   0.837  -2.546
 1552   HG22  THR  50          HG22      THR  50  16.435  -0.314  -3.597
 1553   HG23  THR  50          HG23      THR  50  16.875   1.281  -4.208
 1554    H    ASP  51           H        ASP  51  21.599   1.712  -2.571
 1555    HA   ASP  51           HA       ASP  51  23.355  -0.369  -3.681
 1556    HB2  ASP  51           HB2      ASP  51  24.119   2.092  -2.106
 1557    HB3  ASP  51           HB3      ASP  51  25.227   0.958  -2.858
 1558    H    GLU  52           H        GLU  52  25.090  -1.056  -1.973
 1559    HA   GLU  52           HA       GLU  52  23.547  -2.604  -0.162
 1560    HB2  GLU  52           HB2      GLU  52  26.502  -2.398  -0.655
 1561    HB3  GLU  52           HB3      GLU  52  25.828  -3.459   0.574
 1562    HG2  GLU  52           HG2      GLU  52  26.148  -4.810  -1.307
 1563    HG3  GLU  52           HG3      GLU  52  24.422  -4.469  -1.263
 1564    H    ALA  53           H        ALA  53  25.886   0.039   0.362
 1565    HA   ALA  53           HA       ALA  53  25.866  -0.179   3.190
 1566    HB1  ALA  53           HB1      ALA  53  27.652   0.967   1.975
 1567    HB2  ALA  53           HB2      ALA  53  26.519   2.234   1.504
 1568    HB3  ALA  53           HB3      ALA  53  26.933   2.006   3.204
 1569    H    ALA  54           H        ALA  54  23.745   1.340   0.924
 1570    HA   ALA  54           HA       ALA  54  22.297   2.818   2.954
 1571    HB1  ALA  54           HB1      ALA  54  22.480   3.696   0.668
 1572    HB2  ALA  54           HB2      ALA  54  21.607   2.284   0.063
 1573    HB3  ALA  54           HB3      ALA  54  20.795   3.430   1.132
 1574    H    PHE  55           H        PHE  55  21.982  -0.154   1.100
 1575    HA   PHE  55           HA       PHE  55  19.297  -0.683   1.838
 1576    HB2  PHE  55           HB2      PHE  55  20.977  -1.720  -0.026
 1577    HB3  PHE  55           HB3      PHE  55  20.962  -3.015   1.171
 1578    HD1  PHE  55           HD1      PHE  55  18.582  -3.681   2.049
 1579    HD2  PHE  55           HD2      PHE  55  19.340  -1.665  -1.616
 1580    HE1  PHE  55           HE1      PHE  55  16.398  -4.425   1.197
 1581    HE2  PHE  55           HE2      PHE  55  17.169  -2.411  -2.481
 1582    HZ   PHE  55           HZ       PHE  55  15.688  -3.788  -1.072
 1583    H    GLN  56           H        GLN  56  22.359  -1.368   3.367
 1584    HA   GLN  56           HA       GLN  56  21.410  -3.313   5.187
 1585    HB2  GLN  56           HB2      GLN  56  23.381  -2.837   6.512
 1586    HB3  GLN  56           HB3      GLN  56  23.811  -2.895   4.810
 1587    HG2  GLN  56           HG2      GLN  56  23.819  -0.455   4.732
 1588    HG3  GLN  56           HG3      GLN  56  23.399  -0.405   6.444
 1589   HE21  GLN  56          HE21      GLN  56  25.253   0.679   7.020
 1590   HE22  GLN  56          HE22      GLN  56  26.810  -0.084   7.025
 1591    H    LYS  57           H        LYS  57  20.925   0.061   4.935
 1592    HA   LYS  57           HA       LYS  57  19.759   0.288   7.589
 1593    HB2  LYS  57           HB2      LYS  57  19.414   2.199   5.270
 1594    HB3  LYS  57           HB3      LYS  57  19.185   2.535   6.978
 1595    HG2  LYS  57           HG2      LYS  57  21.552   2.417   7.371
 1596    HG3  LYS  57           HG3      LYS  57  21.838   1.906   5.702
 1597    HD2  LYS  57           HD2      LYS  57  20.841   4.056   4.939
 1598    HD3  LYS  57           HD3      LYS  57  20.742   4.570   6.625
 1599    HE2  LYS  57           HE2      LYS  57  23.256   3.861   5.113
 1600    HE3  LYS  57           HE3      LYS  57  22.724   5.486   5.539
 1601    HZ1  LYS  57           HZ1      LYS  57  23.457   3.336   7.453
 1602    HZ2  LYS  57           HZ2      LYS  57  22.929   4.890   7.877
 1603    HZ3  LYS  57           HZ3      LYS  57  24.403   4.686   7.065
 1604    H    LEU  58           H        LEU  58  18.760   0.196   4.205
 1605    HA   LEU  58           HA       LEU  58  16.088   0.744   4.416
 1606    HB2  LEU  58           HB2      LEU  58  17.418   0.519   2.318
 1607    HB3  LEU  58           HB3      LEU  58  17.283  -1.223   2.477
 1608    HG   LEU  58           HG       LEU  58  14.812  -1.008   2.340
 1609   HD11  LEU  58          HD11      LEU  58  13.863   1.100   1.594
 1610   HD12  LEU  58          HD12      LEU  58  14.647   1.282   3.160
 1611   HD13  LEU  58          HD13      LEU  58  15.443   1.867   1.697
 1612   HD21  LEU  58          HD21      LEU  58  16.276  -1.418   0.340
 1613   HD22  LEU  58          HD22      LEU  58  14.707  -0.685  -0.006
 1614   HD23  LEU  58          HD23      LEU  58  16.162   0.311   0.000
 1615    H    MET  59           H        MET  59  17.395  -2.553   4.167
 1616    HA   MET  59           HA       MET  59  15.043  -3.939   4.569
 1617    HB2  MET  59           HB2      MET  59  16.900  -5.191   3.908
 1618    HB3  MET  59           HB3      MET  59  17.900  -4.571   5.210
 1619    HG2  MET  59           HG2      MET  59  17.292  -6.926   5.502
 1620    HG3  MET  59           HG3      MET  59  16.732  -5.906   6.823
 1621    HE1  MET  59           HE1      MET  59  14.574  -5.946   3.356
 1622    HE2  MET  59           HE2      MET  59  15.798  -7.231   3.375
 1623    HE3  MET  59           HE3      MET  59  14.081  -7.644   3.500
 1624    H    SER  60           H        SER  60  17.360  -2.904   7.063
 1625    HA   SER  60           HA       SER  60  15.759  -3.923   9.191
 1626    HB2  SER  60           HB2      SER  60  17.419  -2.715  10.629
 1627    HB3  SER  60           HB3      SER  60  18.134  -3.832   9.466
 1628    HG   SER  60           HG       SER  60  17.804  -1.229   8.569
 1629    H    ASN  61           H        ASN  61  15.366  -1.262   7.259
 1630    HA   ASN  61           HA       ASN  61  14.189   0.423   9.320
 1631    HB2  ASN  61           HB2      ASN  61  14.855   0.811   6.445
 1632    HB3  ASN  61           HB3      ASN  61  13.616   1.816   7.182
 1633   HD21  ASN  61          HD21      ASN  61  14.800   3.691   7.028
 1634   HD22  ASN  61          HD22      ASN  61  16.191   3.994   8.011
 1635    H    LEU  62           H        LEU  62  13.316  -1.710   6.697
 1636    HA   LEU  62           HA       LEU  62  10.480  -1.315   7.116
 1637    HB2  LEU  62           HB2      LEU  62  12.140  -3.170   5.447
 1638    HB3  LEU  62           HB3      LEU  62  10.461  -3.558   5.749
 1639    HG   LEU  62           HG       LEU  62  10.590  -2.510   3.636
 1640   HD11  LEU  62          HD11      LEU  62   8.663  -1.878   4.953
 1641   HD12  LEU  62          HD12      LEU  62   9.567  -0.530   5.665
 1642   HD13  LEU  62          HD13      LEU  62   9.179  -0.530   3.941
 1643   HD21  LEU  62          HD21      LEU  62  12.084  -0.262   4.962
 1644   HD22  LEU  62          HD22      LEU  62  12.737  -1.435   3.815
 1645   HD23  LEU  62          HD23      LEU  62  11.518  -0.273   3.291
 1646    H    ASP  63           H        ASP  63  12.692  -4.053   7.484
 1647    HA   ASP  63           HA       ASP  63  10.996  -5.807   8.788
 1648    HB2  ASP  63           HB2      ASP  63  13.249  -6.296   7.769
 1649    HB3  ASP  63           HB3      ASP  63  13.986  -5.591   9.201
 1650    H    SER  64           H        SER  64   9.986  -5.621  10.646
 1651    HA   SER  64           HA       SER  64  10.563  -3.597  12.534
 1652    HB2  SER  64           HB2      SER  64   8.743  -5.998  12.722
 1653    HB3  SER  64           HB3      SER  64   8.753  -4.650  13.859
 1654    HG   SER  64           HG       SER  64   8.147  -4.562  11.074
 1655    H    ASN  65           H        ASN  65  11.235  -7.088  12.523
 1656    HA   ASN  65           HA       ASN  65  12.435  -6.769  15.183
 1657    HB2  ASN  65           HB2      ASN  65  12.495  -9.290  15.221
 1658    HB3  ASN  65           HB3      ASN  65  10.896  -8.569  15.217
 1659   HD21  ASN  65          HD21      ASN  65  13.043  -9.054  12.437
 1660   HD22  ASN  65          HD22      ASN  65  11.986 -10.143  11.608
 1661    H    ARG  66           H        ARG  66  13.251  -6.853  11.980
 1662    HA   ARG  66           HA       ARG  66  15.215  -6.697  10.896
 1663    HB2  ARG  66           HB2      ARG  66  16.254  -6.270  13.689
 1664    HB3  ARG  66           HB3      ARG  66  17.264  -6.139  12.254
 1665    HG2  ARG  66           HG2      ARG  66  15.785  -4.374  11.397
 1666    HG3  ARG  66           HG3      ARG  66  14.827  -4.484  12.875
 1667    HD2  ARG  66           HD2      ARG  66  16.656  -3.733  14.204
 1668    HD3  ARG  66           HD3      ARG  66  17.776  -3.871  12.849
 1669    HE   ARG  66           HE       ARG  66  15.562  -2.042  12.456
 1670   HH11  ARG  66          HH12      ARG  66  18.877  -2.413  13.537
 1671   HH12  ARG  66          HH11      ARG  66  19.292  -0.748  13.232
 1672   HH21  ARG  66          HH22      ARG  66  16.102   0.122  12.038
 1673   HH22  ARG  66          HH21      ARG  66  17.713   0.691  12.347
 1674    H    ASP  67           H        ASP  67  14.794  -8.945  10.350
 1675    HA   ASP  67           HA       ASP  67  17.036 -10.622  11.300
 1676    HB2  ASP  67           HB2      ASP  67  14.846 -11.580  11.947
 1677    HB3  ASP  67           HB3      ASP  67  14.350 -11.568  10.256
 1678    H    ASN  68           H        ASN  68  15.916  -8.744   8.927
 1679    HA   ASN  68           HA       ASN  68  16.635  -8.287   6.834
 1680    HB2  ASN  68           HB2      ASN  68  18.481 -10.594   7.379
 1681    HB3  ASN  68           HB3      ASN  68  18.348  -9.927   5.758
 1682   HD21  ASN  68          HD21      ASN  68  18.076  -8.040   8.702
 1683   HD22  ASN  68          HD22      ASN  68  19.541  -7.146   8.485
 1684    H    GLU  69           H        GLU  69  14.268  -9.495   7.276
 1685    HA   GLU  69           HA       GLU  69  13.758 -10.335   4.617
 1686    HB2  GLU  69           HB2      GLU  69  12.606 -12.488   5.220
 1687    HB3  GLU  69           HB3      GLU  69  14.360 -12.535   5.313
 1688    HG2  GLU  69           HG2      GLU  69  14.328 -12.490   7.675
 1689    HG3  GLU  69           HG3      GLU  69  12.611 -12.083   7.711
 1690    H    VAL  70           H        VAL  70  12.209  -9.039   4.224
 1691    HA   VAL  70           HA       VAL  70  10.391  -8.054   6.177
 1692    HB   VAL  70           HB       VAL  70  10.889  -7.613   3.278
 1693   HG11  VAL  70          HG11      VAL  70   8.337  -6.752   4.631
 1694   HG12  VAL  70          HG12      VAL  70   8.899  -6.217   3.046
 1695   HG13  VAL  70          HG13      VAL  70   8.470  -7.907   3.304
 1696   HG21  VAL  70          HG21      VAL  70  10.387  -5.735   5.577
 1697   HG22  VAL  70          HG22      VAL  70  11.978  -6.314   5.072
 1698   HG23  VAL  70          HG23      VAL  70  11.017  -5.315   3.982
 1699    H    ASP  71           H        ASP  71   8.450  -8.720   6.719
 1700    HA   ASP  71           HA       ASP  71   7.378 -11.144   5.544
 1701    HB2  ASP  71           HB2      ASP  71   7.494 -10.637   8.059
 1702    HB3  ASP  71           HB3      ASP  71   6.149  -9.527   7.784
 1703    H    PHE  72           H        PHE  72   4.634 -10.831   5.776
 1704    HA   PHE  72           HA       PHE  72   4.290  -9.654   3.218
 1705    HB2  PHE  72           HB2      PHE  72   3.109 -11.713   4.085
 1706    HB3  PHE  72           HB3      PHE  72   2.075 -10.627   5.009
 1707    HD1  PHE  72           HD2      PHE  72   3.214  -9.447   1.776
 1708    HD2  PHE  72           HD1      PHE  72   0.163 -11.625   3.796
 1709    HE1  PHE  72           HE2      PHE  72   1.752  -9.192  -0.178
 1710    HE2  PHE  72           HE1      PHE  72  -1.298 -11.382   1.837
 1711    HZ   PHE  72           HZ       PHE  72  -0.508 -10.164  -0.149
 1712    H    GLN  73           H        GLN  73   2.710  -8.818   6.373
 1713    HA   GLN  73           HA       GLN  73   1.599  -6.433   5.326
 1714    HB2  GLN  73           HB2      GLN  73   0.708  -7.348   7.395
 1715    HB3  GLN  73           HB3      GLN  73   2.234  -7.101   8.212
 1716    HG2  GLN  73           HG2      GLN  73   2.009  -4.709   8.010
 1717    HG3  GLN  73           HG3      GLN  73   0.492  -4.919   7.134
 1718   HE21  GLN  73          HE21      GLN  73   1.257  -3.668   9.763
 1719   HE22  GLN  73          HE22      GLN  73   0.137  -4.362  10.890
 1720    H    GLU  74           H        GLU  74   4.754  -7.182   6.637
 1721    HA   GLU  74           HA       GLU  74   5.725  -4.548   6.938
 1722    HB2  GLU  74           HB2      GLU  74   6.751  -6.933   7.549
 1723    HB3  GLU  74           HB3      GLU  74   7.532  -6.730   5.988
 1724    HG2  GLU  74           HG2      GLU  74   9.088  -5.883   7.467
 1725    HG3  GLU  74           HG3      GLU  74   8.260  -4.427   6.898
 1726    H    TYR  75           H        TYR  75   5.629  -6.810   4.264
 1727    HA   TYR  75           HA       TYR  75   7.041  -5.306   2.360
 1728    HB2  TYR  75           HB2      TYR  75   6.563  -7.708   2.137
 1729    HB3  TYR  75           HB3      TYR  75   4.844  -7.367   2.001
 1730    HD1  TYR  75           HD1      TYR  75   4.053  -6.060  -0.032
 1731    HD2  TYR  75           HD2      TYR  75   7.942  -7.754   0.271
 1732    HE1  TYR  75           HE1      TYR  75   4.282  -5.913  -2.474
 1733    HE2  TYR  75           HE2      TYR  75   8.193  -7.603  -2.181
 1734    HH   TYR  75           HH       TYR  75   6.791  -7.476  -4.171
 1735    H    CYS  76           H        CYS  76   3.712  -5.261   3.433
 1736    HA   CYS  76           HA       CYS  76   2.926  -3.611   1.203
 1737    HB2  CYS  76           HB2      CYS  76   1.256  -4.533   3.544
 1738    HB3  CYS  76           HB3      CYS  76   0.662  -3.884   2.014
 1739    HG   CYS  76           HG       CYS  76   2.326  -6.860   2.385
 1740    H    VAL  77           H        VAL  77   3.414  -3.228   4.708
 1741    HA   VAL  77           HA       VAL  77   2.535  -0.530   4.809
 1742    HB   VAL  77           HB       VAL  77   2.895  -1.762   6.881
 1743   HG11  VAL  77          HG11      VAL  77   5.177  -2.295   7.632
 1744   HG12  VAL  77          HG12      VAL  77   4.683  -3.182   6.185
 1745   HG13  VAL  77          HG13      VAL  77   5.775  -1.802   6.039
 1746   HG21  VAL  77          HG21      VAL  77   3.147   0.671   7.030
 1747   HG22  VAL  77          HG22      VAL  77   4.228  -0.146   8.160
 1748   HG23  VAL  77          HG23      VAL  77   4.869   0.521   6.659
 1749    H    PHE  78           H        PHE  78   5.549  -2.089   3.982
 1750    HA   PHE  78           HA       PHE  78   7.208   0.016   3.369
 1751    HB2  PHE  78           HB2      PHE  78   8.090  -2.123   3.038
 1752    HB3  PHE  78           HB3      PHE  78   6.680  -2.683   2.153
 1753    HD1  PHE  78           HD2      PHE  78   6.442  -2.241  -0.226
 1754    HD2  PHE  78           HD1      PHE  78   9.875  -0.964   1.948
 1755    HE1  PHE  78           HE2      PHE  78   7.646  -1.899  -2.344
 1756    HE2  PHE  78           HE1      PHE  78  11.088  -0.626  -0.167
 1757    HZ   PHE  78           HZ       PHE  78   9.980  -1.093  -2.309
 1758    H    LEU  79           H        LEU  79   4.556  -1.364   1.492
 1759    HA   LEU  79           HA       LEU  79   4.853   0.301  -0.755
 1760    HB2  LEU  79           HB2      LEU  79   2.814  -1.607   0.218
 1761    HB3  LEU  79           HB3      LEU  79   2.325  -0.458  -1.014
 1762    HG   LEU  79           HG       LEU  79   4.812  -1.678  -1.767
 1763   HD11  LEU  79          HD11      LEU  79   2.531  -3.548  -1.167
 1764   HD12  LEU  79          HD12      LEU  79   3.981  -3.953  -2.088
 1765   HD13  LEU  79          HD13      LEU  79   4.110  -3.535  -0.379
 1766   HD21  LEU  79          HD21      LEU  79   2.920  -0.522  -3.062
 1767   HD22  LEU  79          HD22      LEU  79   3.727  -1.934  -3.799
 1768   HD23  LEU  79          HD23      LEU  79   2.136  -2.110  -3.027
 1769    H    SER  80           H        SER  80   2.534   0.349   1.908
 1770    HA   SER  80           HA       SER  80   1.183   2.653   1.015
 1771    HB2  SER  80           HB2      SER  80   0.509   2.706   3.534
 1772    HB3  SER  80           HB3      SER  80  -0.013   1.373   2.505
 1773    HG   SER  80           HG       SER  80   0.849   0.245   4.075
 1774    H    CYS  81           H        CYS  81   4.056   2.128   2.866
 1775    HA   CYS  81           HA       CYS  81   4.552   4.725   3.724
 1776    HB2  CYS  81           HB2      CYS  81   6.104   3.259   4.542
 1777    HB3  CYS  81           HB3      CYS  81   6.261   2.388   3.022
 1778    HG   CYS  81           HG       CYS  81   8.300   3.669   2.110
 1779    H    ILE  82           H        ILE  82   5.552   3.134   0.663
 1780    HA   ILE  82           HA       ILE  82   6.804   5.448  -0.316
 1781    HB   ILE  82           HB       ILE  82   5.601   3.289  -2.064
 1782   HG12  ILE  82          HG12      ILE  82   8.085   3.349  -0.379
 1783   HG13  ILE  82          HG13      ILE  82   6.957   2.024  -0.655
 1784   HG21  ILE  82          HG21      ILE  82   7.976   5.129  -2.438
 1785   HG22  ILE  82          HG22      ILE  82   7.355   3.964  -3.611
 1786   HG23  ILE  82          HG23      ILE  82   6.383   5.368  -3.166
 1787   HD11  ILE  82          HD11      ILE  82   8.992   3.089  -2.606
 1788   HD12  ILE  82          HD12      ILE  82   9.075   1.567  -1.715
 1789   HD13  ILE  82          HD13      ILE  82   7.827   1.795  -2.946
 1790    H    ALA  83           H        ALA  83   3.461   4.527  -0.252
 1791    HA   ALA  83           HA       ALA  83   2.639   6.534  -2.146
 1792    HB1  ALA  83           HB1      ALA  83   1.368   4.441  -1.694
 1793    HB2  ALA  83           HB2      ALA  83   0.936   5.107  -0.118
 1794    HB3  ALA  83           HB3      ALA  83   0.402   5.921  -1.596
 1795    H    MET  84           H        MET  84   2.569   6.212   1.388
 1796    HA   MET  84           HA       MET  84   1.404   8.829   1.782
 1797    HB2  MET  84           HB2      MET  84   0.796   7.055   3.243
 1798    HB3  MET  84           HB3      MET  84   2.477   6.743   3.636
 1799    HG2  MET  84           HG2      MET  84   2.566   9.007   4.683
 1800    HG3  MET  84           HG3      MET  84   0.816   9.109   4.438
 1801    HE1  MET  84           HE1      MET  84   2.004   5.682   4.642
 1802    HE2  MET  84           HE2      MET  84   3.408   6.337   5.538
 1803    HE3  MET  84           HE3      MET  84   2.224   5.267   6.372
 1804    H    MET  85           H        MET  85   4.575   7.452   1.781
 1805    HA   MET  85           HA       MET  85   5.885   9.752   2.800
 1806    HB2  MET  85           HB2      MET  85   6.743   7.339   2.493
 1807    HB3  MET  85           HB3      MET  85   7.115   7.863   0.843
 1808    HG2  MET  85           HG2      MET  85   8.110   9.895   2.376
 1809    HG3  MET  85           HG3      MET  85   8.450   8.475   3.351
 1810    HE1  MET  85           HE1      MET  85  10.504   6.396   2.215
 1811    HE2  MET  85           HE2      MET  85   8.724   6.400   2.009
 1812    HE3  MET  85           HE3      MET  85   9.795   6.167   0.594
 1813    H    CYS  86           H        CYS  86   4.706   8.630  -0.285
 1814    HA   CYS  86           HA       CYS  86   5.619  10.818  -1.861
 1815    HB2  CYS  86           HB2      CYS  86   4.974   8.747  -2.935
 1816    HB3  CYS  86           HB3      CYS  86   3.357   8.845  -2.247
 1817    HG   CYS  86           HG       CYS  86   2.977   9.406  -4.874
 1818    H    ASN  87           H        ASN  87   2.883  10.245   0.224
 1819    HA   ASN  87           HA       ASN  87   1.239  12.382  -0.454
 1820    HB2  ASN  87           HB2      ASN  87   0.465  10.788   1.150
 1821    HB3  ASN  87           HB3      ASN  87   1.825  11.100   2.219
 1822   HD21  ASN  87          HD21      ASN  87  -1.242  12.268   1.067
 1823   HD22  ASN  87          HD22      ASN  87  -1.476  13.452   2.301
 1824    H    GLU  88           H        GLU  88   4.255  12.258   1.266
 1825    HA   GLU  88           HA       GLU  88   4.155  14.953   2.231
 1826    HB2  GLU  88           HB2      GLU  88   6.538  13.106   1.964
 1827    HB3  GLU  88           HB3      GLU  88   6.424  14.537   2.985
 1828    HG2  GLU  88           HG2      GLU  88   4.710  13.473   4.329
 1829    HG3  GLU  88           HG3      GLU  88   4.734  12.062   3.278
 1830    H    PHE  89           H        PHE  89   5.447  13.293  -0.590
 1831    HA   PHE  89           HA       PHE  89   6.776  15.701  -1.546
 1832    HB2  PHE  89           HB2      PHE  89   6.590  12.904  -2.662
 1833    HB3  PHE  89           HB3      PHE  89   7.437  14.222  -3.469
 1834    HD1  PHE  89           HD1      PHE  89   9.511  15.105  -2.572
 1835    HD2  PHE  89           HD2      PHE  89   7.483  11.882  -0.686
 1836    HE1  PHE  89           HE1      PHE  89  11.538  14.597  -1.274
 1837    HE2  PHE  89           HE2      PHE  89   9.504  11.366   0.617
 1838    HZ   PHE  89           HZ       PHE  89  11.536  12.724   0.324
 1839    H    PHE  90           H        PHE  90   4.613  13.386  -3.191
 1840    HA   PHE  90           HA       PHE  90   4.025  15.230  -5.276
 1841    HB2  PHE  90           HB2      PHE  90   4.047  12.823  -5.665
 1842    HB3  PHE  90           HB3      PHE  90   2.718  12.603  -4.531
 1843    HD1  PHE  90           HD1      PHE  90   3.654  13.962  -7.830
 1844    HD2  PHE  90           HD2      PHE  90   0.469  12.940  -5.200
 1845    HE1  PHE  90           HE1      PHE  90   2.050  14.210  -9.679
 1846    HE2  PHE  90           HE2      PHE  90  -1.140  13.187  -7.044
 1847    HZ   PHE  90           HZ       PHE  90  -0.349  13.823  -9.287
 1848    H    GLU  91           H        GLU  91   1.948  13.799  -2.758
 1849    HA   GLU  91           HA       GLU  91  -0.246  15.535  -3.138
 1850    HB2  GLU  91           HB2      GLU  91  -0.548  13.512  -1.897
 1851    HB3  GLU  91           HB3      GLU  91   0.706  13.949  -0.750
 1852    HG2  GLU  91           HG2      GLU  91  -1.384  14.251   0.321
 1853    HG3  GLU  91           HG3      GLU  91  -0.742  15.856  -0.028
 1854    H    GLY  92           H        GLY  92   2.652  15.697  -1.159
 1855    HA2  GLY  92           HA2      GLY  92   3.734  17.462  -0.180
 1856    HA3  GLY  92           HA3      GLY  92   2.844  18.493  -1.289
 1857    H    PHE  93           H        PHE  93   1.592  16.392   1.284
 1858    HA   PHE  93           HA       PHE  93   0.465  18.822   2.520
 1859    HB2  PHE  93           HB2      PHE  93  -1.105  17.038   1.426
 1860    HB3  PHE  93           HB3      PHE  93  -0.757  16.109   2.887
 1861    HD1  PHE  93           HD1      PHE  93  -1.327  19.757   2.396
 1862    HD2  PHE  93           HD2      PHE  93  -2.662  16.128   4.171
 1863    HE1  PHE  93           HE1      PHE  93  -3.082  20.995   3.594
 1864    HE2  PHE  93           HE2      PHE  93  -4.417  17.360   5.375
 1865    HZ   PHE  93           HZ       PHE  93  -4.631  19.796   5.088
 1866    HA   PRO  94           HA       PRO  94   2.958  16.943   5.817
 1867    HB2  PRO  94           HB2      PRO  94   4.323  19.202   6.495
 1868    HB3  PRO  94           HB3      PRO  94   4.841  18.111   5.211
 1869    HG2  PRO  94           HG2      PRO  94   3.737  20.805   5.011
 1870    HG3  PRO  94           HG3      PRO  94   4.583  19.849   3.788
 1871    HD2  PRO  94           HD2      PRO  94   1.738  20.289   4.098
 1872    HD3  PRO  94           HD3      PRO  94   2.596  19.463   2.783
 1873    H    ASP  95           H        ASP  95   0.360  17.473   6.163
 1874    HA   ASP  95           HA       ASP  95  -0.106  19.539   8.115
 1875    HB2  ASP  95           HB2      ASP  95  -2.363  18.810   8.166
 1876    HB3  ASP  95           HB3      ASP  95  -1.852  18.588   6.498
 1877    H    LYS  96           H        LYS  96   0.339  16.069   8.096
 1878    HA   LYS  96           HA       LYS  96   0.992  16.199  10.968
 1879    HB2  LYS  96           HB2      LYS  96   0.043  13.858  11.121
 1880    HB3  LYS  96           HB3      LYS  96  -1.140  15.139  10.889
 1881    HG2  LYS  96           HG2      LYS  96  -1.065  14.617   8.434
 1882    HG3  LYS  96           HG3      LYS  96  -0.112  13.190   8.847
 1883    HD2  LYS  96           HD2      LYS  96  -1.898  12.270  10.118
 1884    HD3  LYS  96           HD3      LYS  96  -2.814  13.778  10.034
 1885    HE2  LYS  96           HE2      LYS  96  -2.100  12.049   7.670
 1886    HE3  LYS  96           HE3      LYS  96  -3.660  12.048   8.492
 1887    HZ1  LYS  96           HZ1      LYS  96  -2.435  14.361   7.070
 1888    HZ2  LYS  96           HZ2      LYS  96  -3.900  14.398   7.911
 1889    HZ3  LYS  96           HZ3      LYS  96  -3.750  13.427   6.533
 1890    H    GLN  97           H        GLN  97   2.300  16.024   8.150
 1891    HA   GLN  97           HA       GLN  97   3.966  13.658   8.547
 1892    HB2  GLN  97           HB2      GLN  97   4.017  15.613   6.240
 1893    HB3  GLN  97           HB3      GLN  97   4.793  14.038   6.309
 1894    HG2  GLN  97           HG2      GLN  97   1.841  14.602   6.208
 1895    HG3  GLN  97           HG3      GLN  97   2.838  13.903   4.935
 1896   HE21  GLN  97          HE21      GLN  97   0.464  12.858   6.215
 1897   HE22  GLN  97          HE22      GLN  97   0.898  11.336   6.912
 1898    HA   PRO  98           HA       PRO  98   6.968  16.277  10.528
 1899    HB2  PRO  98           HB2      PRO  98   8.967  14.423  10.620
 1900    HB3  PRO  98           HB3      PRO  98   7.609  14.451  11.751
 1901    HG2  PRO  98           HG2      PRO  98   8.018  12.763   9.318
 1902    HG3  PRO  98           HG3      PRO  98   7.363  12.309  10.901
 1903    HD2  PRO  98           HD2      PRO  98   5.787  12.782   8.758
 1904    HD3  PRO  98           HD3      PRO  98   5.274  13.147  10.417
 1905    H    ARG  99           H        ARG  99   9.041  17.187  10.096
 1906    HA   ARG  99           HA       ARG  99  10.645  18.130   8.807
 1907    HB2  ARG  99           HB2      ARG  99  10.259  15.589   7.238
 1908    HB3  ARG  99           HB3      ARG  99  11.348  16.848   6.677
 1909    HG2  ARG  99           HG2      ARG  99  12.697  15.312   7.817
 1910    HG3  ARG  99           HG3      ARG  99  12.498  16.668   8.924
 1911    HD2  ARG  99           HD2      ARG  99  10.658  15.384  10.030
 1912    HD3  ARG  99           HD3      ARG  99  11.086  14.007   9.014
 1913    HE   ARG  99           HE       ARG  99  13.338  15.037  10.439
 1914   HH11  ARG  99          HH12      ARG  99  10.561  12.912  10.702
 1915   HH12  ARG  99          HH11      ARG  99  11.201  12.036  12.057
 1916   HH21  ARG  99          HH22      ARG  99  14.169  13.901  12.230
 1917   HH22  ARG  99          HH21      ARG  99  13.236  12.614  12.942
 1918    H    LYS 100           H        LYS 100  10.966  18.511   6.122
 1919    HA   LYS 100           HA       LYS 100   8.427  19.800   5.382
 1920    HB2  LYS 100           HB2      LYS 100  11.271  20.574   4.745
 1921    HB3  LYS 100           HB3      LYS 100   9.867  21.333   4.017
 1922    HG2  LYS 100           HG2      LYS 100   9.132  22.064   6.246
 1923    HG3  LYS 100           HG3      LYS 100  10.590  21.345   6.938
 1924    HD2  LYS 100           HD2      LYS 100  10.870  23.751   6.575
 1925    HD3  LYS 100           HD3      LYS 100  11.975  22.814   5.565
 1926    HE2  LYS 100           HE2      LYS 100  10.229  23.013   3.731
 1927    HE3  LYS 100           HE3      LYS 100   9.442  24.219   4.748
 1928    HZ1  LYS 100           HZ1      LYS 100  10.871  25.294   3.168
 1929    HZ2  LYS 100           HZ2      LYS 100  12.197  24.356   3.653
 1930    HZ3  LYS 100           HZ3      LYS 100  11.526  25.491   4.724
 1931    H    LYS 101           H        LYS 101   8.670  20.390   2.861
 1932    HA   LYS 101           HA       LYS 101   9.188  17.850   1.476
 1933    HB2  LYS 101           HB2      LYS 101   6.868  18.733   1.324
 1934    HB3  LYS 101           HB3      LYS 101   7.497  20.202   0.591
 1935    HG2  LYS 101           HG2      LYS 101   8.445  18.749  -1.236
 1936    HG3  LYS 101           HG3      LYS 101   7.507  17.419  -0.548
 1937    HD2  LYS 101           HD2      LYS 101   6.231  18.384  -2.326
 1938    HD3  LYS 101           HD3      LYS 101   5.463  18.828  -0.801
 1939    HE2  LYS 101           HE2      LYS 101   6.564  21.019  -0.896
 1940    HE3  LYS 101           HE3      LYS 101   7.307  20.574  -2.431
 1941    HZ1  LYS 101           HZ1      LYS 101   5.049  20.310  -3.352
 1942    HZ2  LYS 101           HZ2      LYS 101   5.376  21.898  -2.848
 1943    HZ3  LYS 101           HZ3      LYS 101   4.407  20.891  -1.891
  Start of MODEL   13
    1    H1   GLN1897           H1       GLN1897 -20.070 -12.578   0.896
    2    H2   GLN1897           H2       GLN1897 -20.787 -11.298   1.747
    3    H3   GLN1897           H3       GLN1897 -19.377 -12.028   2.345
    4    HA   GLN1897           HA       GLN1897 -18.147 -11.268   0.417
    5    HB2  GLN1897           HB2      GLN1897 -20.036 -11.140  -1.150
    6    HB3  GLN1897           HB3      GLN1897 -20.715  -9.804  -0.225
    7    HG2  GLN1897           HG2      GLN1897 -19.517  -9.111  -2.283
    8    HG3  GLN1897           HG3      GLN1897 -18.895  -8.373  -0.805
    9   HE21  GLN1897          HE21      GLN1897 -16.875  -7.984  -1.553
   10   HE22  GLN1897          HE22      GLN1897 -15.724  -9.228  -1.918
   11    H    ARG1898           H        ARG1898 -16.840 -10.294   1.810
   12    HA   ARG1898           HA       ARG1898 -16.952  -7.570   2.247
   13    HB2  ARG1898           HB2      ARG1898 -18.848  -8.310   3.790
   14    HB3  ARG1898           HB3      ARG1898 -17.611  -9.050   4.796
   15    HG2  ARG1898           HG2      ARG1898 -16.679  -6.982   5.370
   16    HG3  ARG1898           HG3      ARG1898 -17.491  -6.151   4.041
   17    HD2  ARG1898           HD2      ARG1898 -18.535  -5.626   6.183
   18    HD3  ARG1898           HD3      ARG1898 -19.647  -6.497   5.127
   19    HE   ARG1898           HE       ARG1898 -18.202  -8.222   6.925
   20   HH11  ARG1898          HH12      ARG1898 -21.023  -6.163   6.594
   21   HH12  ARG1898          HH11      ARG1898 -21.898  -6.944   7.873
   22   HH21  ARG1898          HH22      ARG1898 -19.348  -9.240   8.599
   23   HH22  ARG1898          HH21      ARG1898 -20.940  -8.689   9.024
   24    H    GLU1899           H        GLU1899 -15.077  -8.998   1.285
   25    HA   GLU1899           HA       GLU1899 -13.099 -10.089   2.950
   26    HB2  GLU1899           HB2      GLU1899 -11.599  -9.354   0.985
   27    HB3  GLU1899           HB3      GLU1899 -12.887 -10.493   0.642
   28    HG2  GLU1899           HG2      GLU1899 -14.249  -8.317   0.112
   29    HG3  GLU1899           HG3      GLU1899 -12.639  -7.624  -0.118
   30    H    LEU1900           H        LEU1900 -14.138  -6.955   2.264
   31    HA   LEU1900           HA       LEU1900 -11.893  -5.444   3.010
   32    HB2  LEU1900           HB2      LEU1900 -14.649  -5.063   2.256
   33    HB3  LEU1900           HB3      LEU1900 -14.178  -3.902   3.472
   34    HG   LEU1900           HG       LEU1900 -13.446  -2.681   1.758
   35   HD11  LEU1900          HD11      LEU1900 -11.246  -3.169   0.847
   36   HD12  LEU1900          HD12      LEU1900 -11.300  -3.444   2.588
   37   HD13  LEU1900          HD13      LEU1900 -11.348  -4.813   1.477
   38   HD21  LEU1900          HD21      LEU1900 -13.235  -3.530  -0.529
   39   HD22  LEU1900          HD22      LEU1900 -13.524  -5.164   0.072
   40   HD23  LEU1900          HD23      LEU1900 -14.782  -3.935   0.214
   41    H    GLU1901           H        GLU1901 -13.706  -7.476   4.914
   42    HA   GLU1901           HA       GLU1901 -13.465  -5.949   7.355
   43    HB2  GLU1901           HB2      GLU1901 -14.125  -8.818   6.762
   44    HB3  GLU1901           HB3      GLU1901 -13.778  -8.293   8.400
   45    HG2  GLU1901           HG2      GLU1901 -15.602  -6.587   8.104
   46    HG3  GLU1901           HG3      GLU1901 -16.029  -7.442   6.620
   47    H    ASP1902           H        ASP1902 -12.034  -9.070   6.425
   48    HA   ASP1902           HA       ASP1902  -9.986  -8.962   8.336
   49    HB2  ASP1902           HB2      ASP1902 -10.814 -11.018   7.137
   50    HB3  ASP1902           HB3      ASP1902  -9.895 -10.490   5.730
   51    H    ALA1903           H        ALA1903 -10.155  -7.835   5.037
   52    HA   ALA1903           HA       ALA1903  -7.421  -7.525   4.522
   53    HB1  ALA1903           HB1      ALA1903  -8.103  -6.008   2.750
   54    HB2  ALA1903           HB2      ALA1903  -9.145  -7.438   2.781
   55    HB3  ALA1903           HB3      ALA1903  -9.722  -5.903   3.446
   56    H    THR1904           H        THR1904  -9.759  -4.956   5.384
   57    HA   THR1904           HA       THR1904  -7.510  -3.211   5.923
   58    HB   THR1904           HB       THR1904  -9.228  -1.428   6.126
   59    HG1  THR1904           HG1      THR1904 -11.357  -1.920   5.760
   60   HG21  THR1904          HG21      THR1904  -9.837  -1.425   3.746
   61   HG22  THR1904          HG22      THR1904  -9.389  -3.127   3.632
   62   HG23  THR1904          HG23      THR1904  -8.158  -1.913   3.980
   63    H    GLU1905           H        GLU1905  -9.282  -5.360   7.726
   64    HA   GLU1905           HA       GLU1905  -9.447  -4.176  10.253
   65    HB2  GLU1905           HB2      GLU1905  -9.977  -6.597   9.513
   66    HB3  GLU1905           HB3      GLU1905  -8.262  -6.894   9.756
   67    HG2  GLU1905           HG2      GLU1905  -9.432  -7.613  11.702
   68    HG3  GLU1905           HG3      GLU1905  -8.516  -6.162  12.106
   69    H    THR1906           H        THR1906  -6.825  -5.721   8.544
   70    HA   THR1906           HA       THR1906  -4.788  -5.197  10.448
   71    HB   THR1906           HB       THR1906  -3.643  -5.647   7.905
   72    HG1  THR1906           HG1      THR1906  -5.564  -6.274   6.999
   73   HG21  THR1906          HG21      THR1906  -3.152  -7.869   8.829
   74   HG22  THR1906          HG22      THR1906  -4.327  -7.595  10.114
   75   HG23  THR1906          HG23      THR1906  -2.871  -6.606  10.026
   76    H    ALA1907           H        ALA1907  -6.404  -3.172   8.313
   77    HA   ALA1907           HA       ALA1907  -4.280  -1.665   7.255
   78    HB1  ALA1907           HB1      ALA1907  -7.113  -0.772   7.765
   79    HB2  ALA1907           HB2      ALA1907  -5.929   0.086   6.775
   80    HB3  ALA1907           HB3      ALA1907  -6.508  -1.514   6.279
   81    H    ASP1908           H        ASP1908  -6.377  -1.075  10.066
   82    HA   ASP1908           HA       ASP1908  -5.166   1.198  11.065
   83    HB2  ASP1908           HB2      ASP1908  -7.210   0.025  11.986
   84    HB3  ASP1908           HB3      ASP1908  -6.116  -1.092  12.794
   85    H    ALA1909           H        ALA1909  -4.199  -2.190  11.540
   86    HA   ALA1909           HA       ALA1909  -2.098  -1.780  13.342
   87    HB1  ALA1909           HB1      ALA1909  -2.305  -3.897  11.200
   88    HB2  ALA1909           HB2      ALA1909  -1.257  -3.951  12.619
   89    HB3  ALA1909           HB3      ALA1909  -3.011  -3.989  12.813
   90    H    MET1910           H        MET1910  -1.697  -2.432   9.844
   91    HA   MET1910           HA       MET1910   0.847  -1.565   9.449
   92    HB2  MET1910           HB2      MET1910  -0.277  -2.513   7.629
   93    HB3  MET1910           HB3      MET1910  -1.591  -1.355   7.710
   94    HG2  MET1910           HG2      MET1910  -0.197   0.393   6.793
   95    HG3  MET1910           HG3      MET1910   1.235  -0.645   6.901
   96    HE1  MET1910           HE1      MET1910  -0.405  -3.421   6.092
   97    HE2  MET1910           HE2      MET1910   0.062  -3.535   4.395
   98    HE3  MET1910           HE3      MET1910   1.265  -3.094   5.613
   99    H    ASN1911           H        ASN1911  -2.014   0.527   9.633
  100    HA   ASN1911           HA       ASN1911  -0.850   2.903   8.686
  101    HB2  ASN1911           HB2      ASN1911  -3.293   2.479   9.116
  102    HB3  ASN1911           HB3      ASN1911  -2.958   2.644  10.827
  103   HD21  ASN1911          HD21      ASN1911  -3.155   4.256   7.799
  104   HD22  ASN1911          HD22      ASN1911  -3.196   5.854   8.424
  105    H    ARG1912           H        ARG1912  -0.937   1.583  11.973
  106    HA   ARG1912           HA       ARG1912  -0.017   3.861  13.290
  107    HB2  ARG1912           HB2      ARG1912   0.338   0.952  13.987
  108    HB3  ARG1912           HB3      ARG1912   0.501   2.300  15.078
  109    HG2  ARG1912           HG2      ARG1912  -1.968   1.191  13.831
  110    HG3  ARG1912           HG3      ARG1912  -1.632   1.503  15.536
  111    HD2  ARG1912           HD2      ARG1912  -1.833   3.857  15.226
  112    HD3  ARG1912           HD3      ARG1912  -1.869   3.683  13.466
  113    HE   ARG1912           HE       ARG1912  -4.028   2.239  14.342
  114   HH11  ARG1912          HH12      ARG1912  -2.947   5.546  14.797
  115   HH12  ARG1912          HH11      ARG1912  -4.553   6.200  14.898
  116   HH21  ARG1912          HH22      ARG1912  -6.145   3.089  14.462
  117   HH22  ARG1912          HH21      ARG1912  -6.365   4.798  14.705
  118    H    GLU1913           H        GLU1913   1.692   0.985  12.204
  119    HA   GLU1913           HA       GLU1913   4.272   2.065  12.782
  120    HB2  GLU1913           HB2      GLU1913   5.123   0.043  11.718
  121    HB3  GLU1913           HB3      GLU1913   3.828  -0.344  12.843
  122    HG2  GLU1913           HG2      GLU1913   2.269  -0.591  11.018
  123    HG3  GLU1913           HG3      GLU1913   3.509  -0.104   9.857
  124    H    VAL1914           H        VAL1914   2.183   2.030   9.970
  125    HA   VAL1914           HA       VAL1914   4.177   2.448   7.999
  126    HB   VAL1914           HB       VAL1914   1.675   1.747   7.691
  127   HG11  VAL1914          HG11      VAL1914   1.428   4.738   7.493
  128   HG12  VAL1914          HG12      VAL1914   0.196   3.572   7.003
  129   HG13  VAL1914          HG13      VAL1914   0.653   3.706   8.705
  130   HG21  VAL1914          HG21      VAL1914   2.985   3.677   5.799
  131   HG22  VAL1914          HG22      VAL1914   3.217   1.928   5.851
  132   HG23  VAL1914          HG23      VAL1914   1.647   2.595   5.407
  133    H    SER1915           H        SER1915   2.308   4.584  10.032
  134    HA   SER1915           HA       SER1915   2.965   6.957   8.613
  135    HB2  SER1915           HB2      SER1915   1.941   8.073  10.586
  136    HB3  SER1915           HB3      SER1915   0.945   6.786   9.892
  137    HG   SER1915           HG       SER1915   1.180   5.619  11.642
  138    H    SER1916           H        SER1916   4.286   5.152  11.290
  139    HA   SER1916           HA       SER1916   6.486   6.931  11.693
  140    HB2  SER1916           HB2      SER1916   6.170   4.014  12.437
  141    HB3  SER1916           HB3      SER1916   7.313   5.155  13.127
  142    HG   SER1916           HG       SER1916   5.161   4.679  14.234
  143    H    LEU1917           H        LEU1917   5.707   4.253   9.601
  144    HA   LEU1917           HA       LEU1917   8.326   3.472   8.932
  145    HB2  LEU1917           HB2      LEU1917   6.443   1.965   8.567
  146    HB3  LEU1917           HB3      LEU1917   5.800   3.068   7.363
  147    HG   LEU1917           HG       LEU1917   7.543   2.628   5.838
  148   HD11  LEU1917          HD11      LEU1917   9.379   2.752   7.359
  149   HD12  LEU1917          HD12      LEU1917   8.904   1.228   8.109
  150   HD13  LEU1917          HD13      LEU1917   9.481   1.249   6.441
  151   HD21  LEU1917          HD21      LEU1917   5.943   0.824   5.918
  152   HD22  LEU1917          HD22      LEU1917   7.563   0.204   5.600
  153   HD23  LEU1917          HD23      LEU1917   6.863   0.049   7.211
  154    H    LYS1918           H        LYS1918   5.916   5.216   6.954
  155    HA   LYS1918           HA       LYS1918   7.744   5.686   4.908
  156    HB2  LYS1918           HB2      LYS1918   6.108   6.778   3.827
  157    HB3  LYS1918           HB3      LYS1918   5.105   6.108   5.103
  158    HG2  LYS1918           HG2      LYS1918   6.359   8.817   5.256
  159    HG3  LYS1918           HG3      LYS1918   4.758   8.532   4.565
  160    HD2  LYS1918           HD2      LYS1918   3.804   8.104   6.579
  161    HD3  LYS1918           HD3      LYS1918   5.261   7.336   7.216
  162    HE2  LYS1918           HE2      LYS1918   4.766   9.387   8.388
  163    HE3  LYS1918           HE3      LYS1918   6.292   9.496   7.518
  164    HZ1  LYS1918           HZ1      LYS1918   3.731  10.567   6.456
  165    HZ2  LYS1918           HZ2      LYS1918   5.295  10.855   5.861
  166    HZ3  LYS1918           HZ3      LYS1918   4.821  11.496   7.358
  167    H    ASN1919           H        ASN1919   7.567   7.017   7.992
  168    HA   ASN1919           HA       ASN1919   9.066   9.428   7.449
  169    HB2  ASN1919           HB2      ASN1919   7.408   9.464   9.233
  170    HB3  ASN1919           HB3      ASN1919   8.205   8.121  10.042
  171   HD21  ASN1919          HD21      ASN1919   8.531   9.260  11.925
  172   HD22  ASN1919          HD22      ASN1919   9.685  10.543  12.054
  173    H    LYS1920           H        LYS1920   9.715   6.113   8.514
  174    HA   LYS1920           HA       LYS1920  12.411   6.799   9.281
  175    HB2  LYS1920           HB2      LYS1920  12.616   4.163   9.314
  176    HB3  LYS1920           HB3      LYS1920  11.881   5.033  10.640
  177    HG2  LYS1920           HG2      LYS1920   9.652   4.449   9.760
  178    HG3  LYS1920           HG3      LYS1920  10.397   3.499   8.460
  179    HD2  LYS1920           HD2      LYS1920  11.482   2.072  10.128
  180    HD3  LYS1920           HD3      LYS1920  10.785   3.032  11.433
  181    HE2  LYS1920           HE2      LYS1920   8.575   2.346  10.856
  182    HE3  LYS1920           HE3      LYS1920   9.133   1.599   9.363
  183    HZ1  LYS1920           HZ1      LYS1920   8.766  -0.131  10.891
  184    HZ2  LYS1920           HZ2      LYS1920   9.587   0.666  12.139
  185    HZ3  LYS1920           HZ3      LYS1920  10.451   0.049  10.818
  186    H    LEU1921           H        LEU1921  10.600   5.549   6.635
  187    HA   LEU1921           HA       LEU1921  12.945   5.017   5.056
  188    HB2  LEU1921           HB2      LEU1921  10.073   5.253   4.173
  189    HB3  LEU1921           HB3      LEU1921  11.401   4.585   3.244
  190    HG   LEU1921           HG       LEU1921  10.025   3.401   5.636
  191   HD11  LEU1921          HD11      LEU1921   9.139   3.042   3.366
  192   HD12  LEU1921          HD12      LEU1921  10.673   2.283   2.926
  193   HD13  LEU1921          HD13      LEU1921   9.658   1.553   4.173
  194   HD21  LEU1921          HD21      LEU1921  11.686   1.625   5.652
  195   HD22  LEU1921          HD22      LEU1921  12.622   2.471   4.421
  196   HD23  LEU1921          HD23      LEU1921  12.432   3.181   6.022
  197    H    ARG1922           H        ARG1922  11.220   7.733   5.982
  198    HA   ARG1922           HA       ARG1922  12.116   9.384   3.776
  199    HB2  ARG1922           HB2      ARG1922  10.518   9.772   6.240
  200    HB3  ARG1922           HB3      ARG1922  11.464  11.153   5.735
  201    HG2  ARG1922           HG2      ARG1922   9.295   9.746   4.216
  202    HG3  ARG1922           HG3      ARG1922   9.302  11.403   4.820
  203    HD2  ARG1922           HD2      ARG1922  11.329  11.738   3.272
  204    HD3  ARG1922           HD3      ARG1922  10.814  10.227   2.512
  205    HE   ARG1922           HE       ARG1922   8.599  11.951   2.699
  206   HH11  ARG1922          HH12      ARG1922  11.644  11.692   0.983
  207   HH12  ARG1922          HH11      ARG1922  11.077  12.535  -0.426
  208   HH21  ARG1922          HH22      ARG1922   7.837  13.025   0.863
  209   HH22  ARG1922          HH21      ARG1922   8.894  13.311  -0.492
  210    H    ARG1923           H        ARG1923  13.631   7.795   6.083
  211    HA   ARG1923           HA       ARG1923  15.798   9.713   6.379
  212    HB2  ARG1923           HB2      ARG1923  13.963   9.728   8.305
  213    HB3  ARG1923           HB3      ARG1923  14.846   8.307   8.840
  214    HG2  ARG1923           HG2      ARG1923  16.883   9.607   9.015
  215    HG3  ARG1923           HG3      ARG1923  16.042  11.036   8.407
  216    HD2  ARG1923           HD2      ARG1923  15.467   9.555  10.969
  217    HD3  ARG1923           HD3      ARG1923  16.197  11.152  10.814
  218    HE   ARG1923           HE       ARG1923  13.782  11.353   9.530
  219   HH11  ARG1923          HH12      ARG1923  14.788  10.408  12.750
  220   HH12  ARG1923          HH11      ARG1923  13.353  11.024  13.514
  221   HH21  ARG1923          HH22      ARG1923  11.889  12.125  10.518
  222   HH22  ARG1923          HH21      ARG1923  11.691  11.998  12.240
  223    H    GLY1924           H        GLY1924  16.846   7.925   8.553
  224    HA2  GLY1924           HA2      GLY1924  18.186   6.095   8.798
  225    HA3  GLY1924           HA3      GLY1924  17.082   5.275   7.707
  226    H    ASP1925           H        ASP1925  18.635   8.121   6.553
  227    HA   ASP1925           HA       ASP1925  19.841   8.450   4.654
  228    HB2  ASP1925           HB2      ASP1925  21.649   7.778   6.246
  229    HB3  ASP1925           HB3      ASP1925  21.482   6.120   5.678
  230    H    LEU1926           H        LEU1926  17.568   6.850   4.487
  231    HA   LEU1926           HA       LEU1926  17.718   4.449   3.181
  232    HB2  LEU1926           HB2      LEU1926  15.754   6.640   3.346
  233    HB3  LEU1926           HB3      LEU1926  15.558   5.558   1.985
  234    HG   LEU1926           HG       LEU1926  14.832   5.157   4.802
  235   HD11  LEU1926          HD11      LEU1926  13.443   3.438   3.712
  236   HD12  LEU1926          HD12      LEU1926  13.347   4.972   2.848
  237   HD13  LEU1926          HD13      LEU1926  14.326   3.656   2.201
  238   HD21  LEU1926          HD21      LEU1926  15.500   2.806   4.909
  239   HD22  LEU1926          HD22      LEU1926  16.400   2.956   3.403
  240   HD23  LEU1926          HD23      LEU1926  16.927   3.842   4.837
  241    HA   PRO1927           HA       PRO1927  19.269   5.540  -0.865
  242    HB2  PRO1927           HB2      PRO1927  19.362   3.074  -1.865
  243    HB3  PRO1927           HB3      PRO1927  20.467   3.556  -0.572
  244    HG2  PRO1927           HG2      PRO1927  17.946   1.950  -0.411
  245    HG3  PRO1927           HG3      PRO1927  19.493   1.689   0.415
  246    HD2  PRO1927           HD2      PRO1927  17.293   2.917   1.551
  247    HD3  PRO1927           HD3      PRO1927  18.964   3.140   2.098
  248    H    PHE1928           H        PHE1928  16.259   4.945   0.044
  249    HA   PHE1928           HA       PHE1928  15.161   5.047  -2.629
  250    HB2  PHE1928           HB2      PHE1928  14.457   2.926  -2.677
  251    HB3  PHE1928           HB3      PHE1928  15.318   2.639  -1.194
  252    HD1  PHE1928           HD2      PHE1928  12.067   4.158  -2.207
  253    HD2  PHE1928           HD1      PHE1928  14.215   1.578   0.368
  254    HE1  PHE1928           HE2      PHE1928   9.979   3.563  -1.087
  255    HE2  PHE1928           HE1      PHE1928  12.113   0.961   1.498
  256    HZ   PHE1928           HZ       PHE1928  10.015   1.955   0.752
  257    H    VAL1929           H        VAL1929  13.445   6.287  -2.734
  258    HA   VAL1929           HA       VAL1929  11.722   6.981  -0.555
  259    HB   VAL1929           HB       VAL1929  12.353   9.447  -0.689
  260   HG11  VAL1929          HG11      VAL1929  14.149   9.284   0.947
  261   HG12  VAL1929          HG12      VAL1929  12.888   8.093   1.273
  262   HG13  VAL1929          HG13      VAL1929  14.394   7.592   0.508
  263   HG21  VAL1929          HG21      VAL1929  13.668   9.236  -2.717
  264   HG22  VAL1929          HG22      VAL1929  14.634   9.941  -1.413
  265   HG23  VAL1929          HG23      VAL1929  14.846   8.243  -1.858
  266    H    VAL1930           H        VAL1930  10.137   8.634  -1.302
  267    HA   VAL1930           HA       VAL1930   9.580   8.388  -4.089
  268    HB   VAL1930           HB       VAL1930   8.349  10.285  -2.083
  269   HG11  VAL1930          HG11      VAL1930   6.490  10.396  -3.701
  270   HG12  VAL1930          HG12      VAL1930   7.996  11.030  -4.367
  271   HG13  VAL1930          HG13      VAL1930   7.434   9.422  -4.825
  272   HG21  VAL1930          HG21      VAL1930   6.530   8.640  -1.985
  273   HG22  VAL1930          HG22      VAL1930   7.458   7.568  -3.035
  274   HG23  VAL1930          HG23      VAL1930   8.062   7.963  -1.425
  275    HA   PRO1931           HA       PRO1931  12.194  11.851  -5.215
  276    HB2  PRO1931           HB2      PRO1931  12.229  11.379  -7.821
  277    HB3  PRO1931           HB3      PRO1931  13.005  10.237  -6.712
  278    HG2  PRO1931           HG2      PRO1931  10.297  10.076  -7.995
  279    HG3  PRO1931           HG3      PRO1931  11.545   8.820  -7.868
  280    HD2  PRO1931           HD2      PRO1931   9.409   9.021  -6.159
  281    HD3  PRO1931           HD3      PRO1931  10.964   8.288  -5.713
  282    H    ARG1932           H        ARG1932  11.959  13.690  -6.780
  283    HA   ARG1932           HA       ARG1932   9.402  14.850  -6.892
  284    HB2  ARG1932           HB2      ARG1932  11.694  15.347  -8.805
  285    HB3  ARG1932           HB3      ARG1932  10.364  16.442  -8.445
  286    HG2  ARG1932           HG2      ARG1932  11.174  16.558  -6.099
  287    HG3  ARG1932           HG3      ARG1932  12.573  15.600  -6.584
  288    HD2  ARG1932           HD2      ARG1932  13.249  17.871  -6.616
  289    HD3  ARG1932           HD3      ARG1932  13.063  17.367  -8.295
  290    HE   ARG1932           HE       ARG1932  10.766  18.464  -8.077
  291   HH11  ARG1932          HH12      ARG1932  13.645  19.530  -6.405
  292   HH12  ARG1932          HH11      ARG1932  13.103  21.173  -6.242
  293   HH21  ARG1932          HH22      ARG1932  10.039  20.627  -7.880
  294   HH22  ARG1932          HH21      ARG1932  11.058  21.804  -7.091
  295    H    ARG1933           H        ARG1933   7.749  14.617  -8.318
  296    HA   ARG1933           HA       ARG1933   6.388  13.579  -9.835
  297    HB2  ARG1933           HB2      ARG1933   8.994  12.818 -11.167
  298    HB3  ARG1933           HB3      ARG1933   7.412  12.465 -11.829
  299    HG2  ARG1933           HG2      ARG1933   6.969  14.758 -12.218
  300    HG3  ARG1933           HG3      ARG1933   8.392  15.250 -11.288
  301    HD2  ARG1933           HD2      ARG1933   8.547  15.187 -13.880
  302    HD3  ARG1933           HD3      ARG1933   9.874  14.528 -12.916
  303    HE   ARG1933           HE       ARG1933   9.325  12.401 -13.613
  304   HH11  ARG1933          HH12      ARG1933   6.916  14.671 -14.758
  305   HH12  ARG1933          HH11      ARG1933   6.166  13.522 -15.829
  306   HH21  ARG1933          HH22      ARG1933   8.342  10.883 -14.987
  307   HH22  ARG1933          HH21      ARG1933   6.964  11.361 -15.949
  308    H    MET1934           H        MET1934   6.282  11.204 -10.980
  309    HA   MET1934           HA       MET1934   7.156   9.222  -9.013
  310    HB2  MET1934           HB2      MET1934   5.535   8.879 -11.554
  311    HB3  MET1934           HB3      MET1934   5.857   7.625 -10.367
  312    HG2  MET1934           HG2      MET1934   4.531  10.101  -9.425
  313    HG3  MET1934           HG3      MET1934   3.594   8.997 -10.424
  314    HE1  MET1934           HE1      MET1934   5.257   9.633  -6.948
  315    HE2  MET1934           HE2      MET1934   5.247   8.018  -6.216
  316    HE3  MET1934           HE3      MET1934   6.339   8.380  -7.560
  317    H    ALA1935           H        ALA1935   8.733  10.926 -10.897
  318    HA   ALA1935           HA       ALA1935  10.481  10.910 -12.310
  319    HB1  ALA1935           HB1      ALA1935  11.024   8.273 -10.969
  320    HB2  ALA1935           HB2      ALA1935  12.193   9.259 -11.851
  321    HB3  ALA1935           HB3      ALA1935  11.475   9.865 -10.360
  322    H    MET   1           H1       MET   1   2.283  -3.252 -21.508
  323    HA   MET   1           HA       MET   1   0.775  -3.750 -19.679
  324    HB2  MET   1           HB2      MET   1   3.212  -5.178 -18.587
  325    HB3  MET   1           HB3      MET   1   1.782  -4.792 -17.644
  326    HG2  MET   1           HG2      MET   1   0.439  -6.220 -19.112
  327    HG3  MET   1           HG3      MET   1   1.893  -6.622 -20.030
  328    HE1  MET   1           HE1      MET   1   1.384  -9.219 -19.651
  329    HE2  MET   1           HE2      MET   1   1.114  -9.935 -18.061
  330    HE3  MET   1           HE3      MET   1  -0.058  -8.799 -18.729
  331    H    ALA   2           H        ALA   2   1.113  -2.677 -17.429
  332    HA   ALA   2           HA       ALA   2   2.923  -0.409 -17.776
  333    HB1  ALA   2           HB1      ALA   2   0.609   0.002 -17.023
  334    HB2  ALA   2           HB2      ALA   2   0.922  -0.961 -15.580
  335    HB3  ALA   2           HB3      ALA   2   1.799   0.547 -15.839
  336    H    CYS   3           H        CYS   3   4.226   0.237 -15.760
  337    HA   CYS   3           HA       CYS   3   5.772  -1.944 -14.796
  338    HB2  CYS   3           HB2      CYS   3   5.635   0.908 -13.784
  339    HB3  CYS   3           HB3      CYS   3   6.911  -0.256 -13.439
  340    HG   CYS   3           HG       CYS   3   8.195   1.255 -15.202
  341    HA   PRO   4           HA       PRO   4   2.315  -3.198 -12.281
  342    HB2  PRO   4           HB2      PRO   4   4.500  -4.825 -11.045
  343    HB3  PRO   4           HB3      PRO   4   2.899  -5.339 -11.608
  344    HG2  PRO   4           HG2      PRO   4   5.013  -5.895 -13.076
  345    HG3  PRO   4           HG3      PRO   4   3.547  -5.281 -13.864
  346    HD2  PRO   4           HD2      PRO   4   6.087  -3.844 -13.200
  347    HD3  PRO   4           HD3      PRO   4   5.071  -3.729 -14.653
  348    H    LEU   5           H        LEU   5   5.379  -3.204 -10.462
  349    HA   LEU   5           HA       LEU   5   4.030  -2.544  -8.049
  350    HB2  LEU   5           HB2      LEU   5   6.413  -3.718  -8.668
  351    HB3  LEU   5           HB3      LEU   5   6.940  -2.129  -8.151
  352    HG   LEU   5           HG       LEU   5   6.985  -3.782  -6.325
  353   HD11  LEU   5          HD11      LEU   5   4.946  -1.596  -5.963
  354   HD12  LEU   5          HD12      LEU   5   5.774  -2.456  -4.665
  355   HD13  LEU   5          HD13      LEU   5   6.693  -1.442  -5.777
  356   HD21  LEU   5          HD21      LEU   5   3.998  -3.864  -6.709
  357   HD22  LEU   5          HD22      LEU   5   5.127  -5.182  -7.022
  358   HD23  LEU   5          HD23      LEU   5   4.886  -4.600  -5.375
  359    H    GLU   6           H        GLU   6   5.733  -0.710 -10.504
  360    HA   GLU   6           HA       GLU   6   6.077   1.626  -8.981
  361    HB2  GLU   6           HB2      GLU   6   7.335   1.289 -11.040
  362    HB3  GLU   6           HB3      GLU   6   5.844   1.336 -11.976
  363    HG2  GLU   6           HG2      GLU   6   5.501   3.644 -11.424
  364    HG3  GLU   6           HG3      GLU   6   6.870   3.625 -10.314
  365    H    LYS   7           H        LYS   7   3.521   0.581 -11.192
  366    HA   LYS   7           HA       LYS   7   1.992   2.936 -10.981
  367    HB2  LYS   7           HB2      LYS   7   1.149   0.116 -11.677
  368    HB3  LYS   7           HB3      LYS   7   0.088   1.511 -11.788
  369    HG2  LYS   7           HG2      LYS   7   2.638   1.075 -13.328
  370    HG3  LYS   7           HG3      LYS   7   0.995   0.966 -13.959
  371    HD2  LYS   7           HD2      LYS   7   2.208   3.468 -12.785
  372    HD3  LYS   7           HD3      LYS   7   2.153   3.101 -14.509
  373    HE2  LYS   7           HE2      LYS   7  -0.265   3.086 -14.465
  374    HE3  LYS   7           HE3      LYS   7  -0.264   3.329 -12.720
  375    HZ1  LYS   7           HZ1      LYS   7   0.571   5.496 -12.960
  376    HZ2  LYS   7           HZ2      LYS   7  -0.653   5.359 -14.126
  377    HZ3  LYS   7           HZ3      LYS   7   0.975   5.263 -14.594
  378    H    ALA   8           H        ALA   8   2.195   0.062  -8.987
  379    HA   ALA   8           HA       ALA   8  -0.072   0.243  -7.444
  380    HB1  ALA   8           HB1      ALA   8   2.696  -0.394  -6.436
  381    HB2  ALA   8           HB2      ALA   8   1.175  -0.827  -5.656
  382    HB3  ALA   8           HB3      ALA   8   1.600  -1.533  -7.215
  383    H    LEU   9           H        LEU   9   3.021   1.926  -6.745
  384    HA   LEU   9           HA       LEU   9   1.869   3.456  -4.627
  385    HB2  LEU   9           HB2      LEU   9   4.384   4.022  -6.204
  386    HB3  LEU   9           HB3      LEU   9   3.915   4.809  -4.710
  387    HG   LEU   9           HG       LEU   9   5.489   3.267  -4.013
  388   HD11  LEU   9          HD11      LEU   9   4.273   1.550  -2.783
  389   HD12  LEU   9          HD12      LEU   9   3.483   3.126  -2.688
  390   HD13  LEU   9          HD13      LEU   9   2.833   1.878  -3.751
  391   HD21  LEU   9          HD21      LEU   9   5.700   2.066  -6.138
  392   HD22  LEU   9          HD22      LEU   9   5.641   0.969  -4.756
  393   HD23  LEU   9          HD23      LEU   9   4.216   1.180  -5.774
  394    H    ASP  10           H        ASP  10   2.630   4.177  -7.999
  395    HA   ASP  10           HA       ASP  10   2.037   6.895  -8.030
  396    HB2  ASP  10           HB2      ASP  10   3.118   5.969  -9.925
  397    HB3  ASP  10           HB3      ASP  10   1.870   4.749 -10.149
  398    H    VAL  11           H        VAL  11  -0.133   4.150  -8.691
  399    HA   VAL  11           HA       VAL  11  -2.329   5.833  -9.344
  400    HB   VAL  11           HB       VAL  11  -3.679   3.875  -9.468
  401   HG11  VAL  11          HG11      VAL  11  -0.898   3.230 -10.422
  402   HG12  VAL  11          HG12      VAL  11  -2.400   2.533 -11.030
  403   HG13  VAL  11          HG13      VAL  11  -2.067   4.250 -11.262
  404   HG21  VAL  11          HG21      VAL  11  -2.889   1.671  -8.735
  405   HG22  VAL  11          HG22      VAL  11  -1.448   2.422  -8.053
  406   HG23  VAL  11          HG23      VAL  11  -3.037   2.801  -7.390
  407    H    MET  12           H        MET  12  -1.094   4.590  -6.340
  408    HA   MET  12           HA       MET  12  -3.423   4.622  -4.801
  409    HB2  MET  12           HB2      MET  12  -0.585   5.283  -4.036
  410    HB3  MET  12           HB3      MET  12  -1.899   5.270  -2.871
  411    HG2  MET  12           HG2      MET  12  -2.210   2.846  -4.031
  412    HG3  MET  12           HG3      MET  12  -0.463   3.055  -4.129
  413    HE1  MET  12           HE1      MET  12  -1.287   0.717  -2.789
  414    HE2  MET  12           HE2      MET  12   0.356   1.181  -2.332
  415    HE3  MET  12           HE3      MET  12  -0.806   0.706  -1.086
  416    H    VAL  13           H        VAL  13  -1.048   7.247  -5.224
  417    HA   VAL  13           HA       VAL  13  -2.813   9.116  -3.948
  418    HB   VAL  13           HB       VAL  13  -1.101  10.829  -4.590
  419   HG11  VAL  13          HG11      VAL  13  -1.066   9.677  -2.429
  420   HG12  VAL  13          HG12      VAL  13  -0.081   8.390  -3.136
  421   HG13  VAL  13          HG13      VAL  13   0.570  10.026  -3.004
  422   HG21  VAL  13          HG21      VAL  13   0.411   8.435  -5.612
  423   HG22  VAL  13          HG22      VAL  13  -0.231   9.752  -6.596
  424   HG23  VAL  13          HG23      VAL  13   1.050  10.069  -5.424
  425    H    SER  14           H        SER  14  -2.110   8.208  -7.245
  426    HA   SER  14           HA       SER  14  -3.241  10.496  -8.480
  427    HB2  SER  14           HB2      SER  14  -2.939   7.681  -9.549
  428    HB3  SER  14           HB3      SER  14  -3.313   9.107 -10.519
  429    HG   SER  14           HG       SER  14  -0.921   8.385  -9.229
  430    H    THR  15           H        THR  15  -4.571   7.256  -7.823
  431    HA   THR  15           HA       THR  15  -7.204   7.935  -8.685
  432    HB   THR  15           HB       THR  15  -6.488   5.662  -6.834
  433    HG1  THR  15           HG1      THR  15  -5.137   5.192  -8.428
  434   HG21  THR  15          HG21      THR  15  -8.319   4.515  -7.949
  435   HG22  THR  15          HG22      THR  15  -8.566   5.902  -9.013
  436   HG23  THR  15          HG23      THR  15  -8.883   6.050  -7.286
  437    H    PHE  16           H        PHE  16  -5.453   7.998  -5.679
  438    HA   PHE  16           HA       PHE  16  -7.372   8.419  -3.768
  439    HB2  PHE  16           HB2      PHE  16  -4.987   8.288  -3.288
  440    HB3  PHE  16           HB3      PHE  16  -4.710   9.808  -4.123
  441    HD1  PHE  16           HD2      PHE  16  -6.675   8.421  -1.284
  442    HD2  PHE  16           HD1      PHE  16  -4.519  11.712  -2.888
  443    HE1  PHE  16           HE2      PHE  16  -6.910   9.611   0.855
  444    HE2  PHE  16           HE1      PHE  16  -4.746  12.905  -0.754
  445    HZ   PHE  16           HZ       PHE  16  -5.941  11.854   1.120
  446    H    HIS  17           H        HIS  17  -5.690  11.052  -5.493
  447    HA   HIS  17           HA       HIS  17  -7.516  13.041  -4.611
  448    HB2  HIS  17           HB2      HIS  17  -5.523  13.089  -6.888
  449    HB3  HIS  17           HB3      HIS  17  -6.399  14.498  -6.301
  450    HD1  HIS  17           HD1      HIS  17  -6.022  14.607  -3.421
  451    HD2  HIS  17           HD2      HIS  17  -3.028  13.116  -5.893
  452    HE1  HIS  17           HE1      HIS  17  -3.890  14.836  -2.117
  453    HE2  HIS  17           HE2      HIS  17  -2.129  13.770  -3.560
  454    H    LYS  18           H        LYS  18  -7.523  10.807  -7.185
  455    HA   LYS  18           HA       LYS  18  -9.113  12.146  -9.075
  456    HB2  LYS  18           HB2      LYS  18  -7.737  10.221  -9.619
  457    HB3  LYS  18           HB3      LYS  18  -8.681   9.204  -8.545
  458    HG2  LYS  18           HG2      LYS  18 -10.627   9.484 -10.012
  459    HG3  LYS  18           HG3      LYS  18  -9.649  10.481 -11.096
  460    HD2  LYS  18           HD2      LYS  18  -8.166   8.636 -11.542
  461    HD3  LYS  18           HD3      LYS  18  -8.974   7.642 -10.330
  462    HE2  LYS  18           HE2      LYS  18 -11.043   7.753 -11.680
  463    HE3  LYS  18           HE3      LYS  18 -10.158   8.652 -12.912
  464    HZ1  LYS  18           HZ1      LYS  18  -8.696   6.759 -13.212
  465    HZ2  LYS  18           HZ2      LYS  18 -10.308   6.293 -13.441
  466    HZ3  LYS  18           HZ3      LYS  18  -9.508   5.890 -11.997
  467    H    TYR  19           H        TYR  19  -9.973  10.055  -6.322
  468    HA   TYR  19           HA       TYR  19 -12.800  10.484  -7.020
  469    HB2  TYR  19           HB2      TYR  19 -11.480   8.227  -5.530
  470    HB3  TYR  19           HB3      TYR  19 -13.224   8.472  -5.538
  471    HD1  TYR  19           HD1      TYR  19 -14.515   8.160  -7.592
  472    HD2  TYR  19           HD2      TYR  19 -10.329   7.433  -7.487
  473    HE1  TYR  19           HE1      TYR  19 -14.680   6.954  -9.730
  474    HE2  TYR  19           HE2      TYR  19 -10.478   6.228  -9.622
  475    HH   TYR  19           HH       TYR  19 -12.083   5.072 -10.982
  476    H    SER  20           H        SER  20 -10.493  11.440  -4.744
  477    HA   SER  20           HA       SER  20 -12.462  11.835  -2.640
  478    HB2  SER  20           HB2      SER  20 -10.539  12.916  -1.413
  479    HB3  SER  20           HB3      SER  20 -10.266  11.235  -1.877
  480    HG   SER  20           HG       SER  20  -8.815  11.830  -3.321
  481    H    GLY  21           H        GLY  21 -10.362  13.872  -4.673
  482    HA2  GLY  21           HA2      GLY  21 -11.787  16.285  -4.048
  483    HA3  GLY  21           HA3      GLY  21 -10.591  16.082  -5.323
  484    H    LYS  22           H        LYS  22 -13.815  14.869  -4.533
  485    HA   LYS  22           HA       LYS  22 -14.717  15.490  -7.247
  486    HB2  LYS  22           HB2      LYS  22 -13.926  13.135  -7.042
  487    HB3  LYS  22           HB3      LYS  22 -15.104  12.885  -5.767
  488    HG2  LYS  22           HG2      LYS  22 -16.911  13.233  -7.324
  489    HG3  LYS  22           HG3      LYS  22 -15.753  13.589  -8.613
  490    HD2  LYS  22           HD2      LYS  22 -16.553  11.280  -8.719
  491    HD3  LYS  22           HD3      LYS  22 -14.821  11.354  -8.425
  492    HE2  LYS  22           HE2      LYS  22 -15.836   9.666  -7.013
  493    HE3  LYS  22           HE3      LYS  22 -15.235  11.000  -6.029
  494    HZ1  LYS  22           HZ1      LYS  22 -17.704  11.821  -6.374
  495    HZ2  LYS  22           HZ2      LYS  22 -17.281  10.762  -5.121
  496    HZ3  LYS  22           HZ3      LYS  22 -17.985  10.155  -6.547
  497    H    GLU  23           H        GLU  23 -15.879  13.951  -4.246
  498    HA   GLU  23           HA       GLU  23 -18.099  15.893  -4.167
  499    HB2  GLU  23           HB2      GLU  23 -18.712  13.472  -4.257
  500    HB3  GLU  23           HB3      GLU  23 -17.851  13.234  -2.748
  501    HG2  GLU  23           HG2      GLU  23 -19.390  14.748  -1.623
  502    HG3  GLU  23           HG3      GLU  23 -20.257  14.992  -3.139
  503    H    GLY  24           H        GLY  24 -15.633  14.250  -2.206
  504    HA2  GLY  24           HA2      GLY  24 -16.158  16.083   0.016
  505    HA3  GLY  24           HA3      GLY  24 -15.142  14.649   0.071
  506    H    ASP  25           H        ASP  25 -13.232  15.415   0.754
  507    HA   ASP  25           HA       ASP  25 -12.167  17.893  -0.364
  508    HB2  ASP  25           HB2      ASP  25 -11.075  16.083   1.805
  509    HB3  ASP  25           HB3      ASP  25 -10.344  17.602   1.294
  510    H    LYS  26           H        LYS  26 -10.019  17.985  -1.219
  511    HA   LYS  26           HA       LYS  26  -9.596  16.189  -3.302
  512    HB2  LYS  26           HB2      LYS  26  -8.842  18.571  -3.106
  513    HB3  LYS  26           HB3      LYS  26  -7.568  18.023  -2.029
  514    HG2  LYS  26           HG2      LYS  26  -6.631  18.317  -4.172
  515    HG3  LYS  26           HG3      LYS  26  -6.732  16.583  -3.877
  516    HD2  LYS  26           HD2      LYS  26  -8.594  16.351  -5.319
  517    HD3  LYS  26           HD3      LYS  26  -8.840  18.098  -5.398
  518    HE2  LYS  26           HE2      LYS  26  -6.626  18.293  -6.503
  519    HE3  LYS  26           HE3      LYS  26  -6.533  16.533  -6.537
  520    HZ1  LYS  26           HZ1      LYS  26  -7.363  17.638  -8.624
  521    HZ2  LYS  26           HZ2      LYS  26  -8.779  18.030  -7.768
  522    HZ3  LYS  26           HZ3      LYS  26  -8.351  16.407  -8.004
  523    H    PHE  27           H        PHE  27  -8.754  15.881  -0.032
  524    HA   PHE  27           HA       PHE  27  -7.021  13.588  -0.629
  525    HB2  PHE  27           HB2      PHE  27  -5.856  14.284   1.607
  526    HB3  PHE  27           HB3      PHE  27  -5.413  15.086   0.100
  527    HD1  PHE  27           HD1      PHE  27  -7.659  15.412   3.048
  528    HD2  PHE  27           HD2      PHE  27  -5.532  17.373  -0.079
  529    HE1  PHE  27           HE1      PHE  27  -8.226  17.608   4.028
  530    HE2  PHE  27           HE2      PHE  27  -6.102  19.558   0.877
  531    HZ   PHE  27           HZ       PHE  27  -7.449  19.683   2.944
  532    H    LYS  28           H        LYS  28  -9.929  14.244   0.384
  533    HA   LYS  28           HA       LYS  28  -9.809  12.251   2.537
  534    HB2  LYS  28           HB2      LYS  28 -10.190  14.642   3.343
  535    HB3  LYS  28           HB3      LYS  28 -11.729  14.589   2.495
  536    HG2  LYS  28           HG2      LYS  28 -12.257  14.083   4.702
  537    HG3  LYS  28           HG3      LYS  28 -12.225  12.516   3.894
  538    HD2  LYS  28           HD2      LYS  28 -11.048  12.161   5.883
  539    HD3  LYS  28           HD3      LYS  28  -9.792  12.378   4.659
  540    HE2  LYS  28           HE2      LYS  28 -10.798  14.668   6.316
  541    HE3  LYS  28           HE3      LYS  28  -9.521  13.605   6.897
  542    HZ1  LYS  28           HZ1      LYS  28  -8.098  14.277   5.169
  543    HZ2  LYS  28           HZ2      LYS  28  -8.800  15.707   5.753
  544    HZ3  LYS  28           HZ3      LYS  28  -9.352  15.020   4.309
  545    H    LEU  29           H        LEU  29 -10.836  10.534   1.961
  546    HA   LEU  29           HA       LEU  29 -13.111  10.748   0.105
  547    HB2  LEU  29           HB2      LEU  29 -11.462   8.349   0.906
  548    HB3  LEU  29           HB3      LEU  29 -12.893   8.257  -0.095
  549    HG   LEU  29           HG       LEU  29 -11.511  10.002  -1.564
  550   HD11  LEU  29          HD11      LEU  29  -9.120   9.253  -1.595
  551   HD12  LEU  29          HD12      LEU  29  -9.587  10.182  -0.167
  552   HD13  LEU  29          HD13      LEU  29  -9.426   8.429  -0.066
  553   HD21  LEU  29          HD21      LEU  29 -12.421   7.875  -2.331
  554   HD22  LEU  29          HD22      LEU  29 -10.776   8.110  -2.923
  555   HD23  LEU  29          HD23      LEU  29 -11.080   7.018  -1.572
  556    H    ASN  30           H        ASN  30 -15.076  10.713   0.964
  557    HA   ASN  30           HA       ASN  30 -15.504   9.453   3.551
  558    HB2  ASN  30           HB2      ASN  30 -17.545  10.569   3.670
  559    HB3  ASN  30           HB3      ASN  30 -16.586  11.697   2.722
  560   HD21  ASN  30          HD21      ASN  30 -17.076  11.984   0.520
  561   HD22  ASN  30          HD22      ASN  30 -18.550  11.397  -0.167
  562    H    LYS  31           H        LYS  31 -17.921   8.303   3.402
  563    HA   LYS  31           HA       LYS  31 -17.578   5.768   2.482
  564    HB2  LYS  31           HB2      LYS  31 -20.213   7.243   2.504
  565    HB3  LYS  31           HB3      LYS  31 -20.001   5.501   2.557
  566    HG2  LYS  31           HG2      LYS  31 -18.945   5.668   4.733
  567    HG3  LYS  31           HG3      LYS  31 -19.068   7.428   4.673
  568    HD2  LYS  31           HD2      LYS  31 -21.514   7.242   4.564
  569    HD3  LYS  31           HD3      LYS  31 -21.374   5.484   4.661
  570    HE2  LYS  31           HE2      LYS  31 -20.407   5.634   6.859
  571    HE3  LYS  31           HE3      LYS  31 -20.348   7.392   6.759
  572    HZ1  LYS  31           HZ1      LYS  31 -22.841   5.775   6.723
  573    HZ2  LYS  31           HZ2      LYS  31 -22.739   7.471   6.743
  574    HZ3  LYS  31           HZ3      LYS  31 -22.220   6.573   8.087
  575    H    SER  32           H        SER  32 -19.242   8.358   0.669
  576    HA   SER  32           HA       SER  32 -19.885   6.689  -1.533
  577    HB2  SER  32           HB2      SER  32 -20.434   8.902  -2.641
  578    HB3  SER  32           HB3      SER  32 -21.266   8.584  -1.119
  579    HG   SER  32           HG       SER  32 -20.269  10.739  -1.394
  580    H    GLU  33           H        GLU  33 -17.125   8.688  -0.779
  581    HA   GLU  33           HA       GLU  33 -16.154   8.905  -3.459
  582    HB2  GLU  33           HB2      GLU  33 -14.688   9.247  -0.831
  583    HB3  GLU  33           HB3      GLU  33 -14.105   9.761  -2.412
  584    HG2  GLU  33           HG2      GLU  33 -16.538  10.823  -0.997
  585    HG3  GLU  33           HG3      GLU  33 -14.979  11.634  -1.140
  586    H    LEU  34           H        LEU  34 -15.393   6.946  -0.638
  587    HA   LEU  34           HA       LEU  34 -13.403   5.380  -1.873
  588    HB2  LEU  34           HB2      LEU  34 -15.057   5.169   0.585
  589    HB3  LEU  34           HB3      LEU  34 -14.258   3.718   0.010
  590    HG   LEU  34           HG       LEU  34 -12.818   6.300   0.580
  591   HD11  LEU  34          HD11      LEU  34 -12.021   5.145   2.608
  592   HD12  LEU  34          HD12      LEU  34 -13.758   5.463   2.628
  593   HD13  LEU  34          HD13      LEU  34 -13.163   3.839   2.282
  594   HD21  LEU  34          HD21      LEU  34 -11.693   4.901  -1.020
  595   HD22  LEU  34          HD22      LEU  34 -10.840   4.819   0.524
  596   HD23  LEU  34          HD23      LEU  34 -11.889   3.491   0.022
  597    H    LYS  35           H        LYS  35 -16.921   5.018  -1.607
  598    HA   LYS  35           HA       LYS  35 -17.010   2.412  -2.635
  599    HB2  LYS  35           HB2      LYS  35 -18.943   3.744  -1.580
  600    HB3  LYS  35           HB3      LYS  35 -19.180   4.423  -3.188
  601    HG2  LYS  35           HG2      LYS  35 -19.555   2.238  -4.115
  602    HG3  LYS  35           HG3      LYS  35 -19.168   1.475  -2.575
  603    HD2  LYS  35           HD2      LYS  35 -21.522   1.466  -2.752
  604    HD3  LYS  35           HD3      LYS  35 -21.127   2.745  -1.602
  605    HE2  LYS  35           HE2      LYS  35 -21.448   4.427  -3.282
  606    HE3  LYS  35           HE3      LYS  35 -21.640   3.192  -4.530
  607    HZ1  LYS  35           HZ1      LYS  35 -23.680   2.501  -3.600
  608    HZ2  LYS  35           HZ2      LYS  35 -23.753   4.194  -3.678
  609    HZ3  LYS  35           HZ3      LYS  35 -23.451   3.424  -2.196
  610    H    GLU  36           H        GLU  36 -17.362   5.533  -4.355
  611    HA   GLU  36           HA       GLU  36 -17.484   4.447  -6.921
  612    HB2  GLU  36           HB2      GLU  36 -17.013   7.068  -5.795
  613    HB3  GLU  36           HB3      GLU  36 -16.017   6.798  -7.220
  614    HG2  GLU  36           HG2      GLU  36 -18.032   6.144  -8.468
  615    HG3  GLU  36           HG3      GLU  36 -19.009   6.527  -7.051
  616    H    LEU  37           H        LEU  37 -14.671   5.358  -4.987
  617    HA   LEU  37           HA       LEU  37 -12.582   4.821  -6.695
  618    HB2  LEU  37           HB2      LEU  37 -12.525   5.601  -4.277
  619    HB3  LEU  37           HB3      LEU  37 -12.681   3.916  -3.827
  620    HG   LEU  37           HG       LEU  37 -10.553   3.670  -5.391
  621   HD11  LEU  37          HD11      LEU  37 -10.552   6.028  -6.049
  622   HD12  LEU  37          HD12      LEU  37 -10.353   6.494  -4.360
  623   HD13  LEU  37          HD13      LEU  37  -9.081   5.588  -5.180
  624   HD21  LEU  37          HD21      LEU  37 -10.690   3.026  -3.047
  625   HD22  LEU  37          HD22      LEU  37  -9.174   3.864  -3.381
  626   HD23  LEU  37          HD23      LEU  37 -10.487   4.709  -2.561
  627    H    LEU  38           H        LEU  38 -14.068   2.494  -4.465
  628    HA   LEU  38           HA       LEU  38 -12.640   0.294  -5.533
  629    HB2  LEU  38           HB2      LEU  38 -14.946   0.539  -3.635
  630    HB3  LEU  38           HB3      LEU  38 -14.382  -1.031  -4.176
  631    HG   LEU  38           HG       LEU  38 -12.077   0.312  -3.325
  632   HD11  LEU  38          HD11      LEU  38 -12.625   0.931  -1.016
  633   HD12  LEU  38          HD12      LEU  38 -13.420   1.975  -2.194
  634   HD13  LEU  38          HD13      LEU  38 -14.337   0.712  -1.376
  635   HD21  LEU  38          HD21      LEU  38 -12.069  -1.377  -1.561
  636   HD22  LEU  38          HD22      LEU  38 -13.761  -1.745  -1.905
  637   HD23  LEU  38          HD23      LEU  38 -12.522  -2.071  -3.118
  638    H    THR  39           H        THR  39 -15.888   1.544  -6.137
  639    HA   THR  39           HA       THR  39 -16.850  -0.706  -7.554
  640    HB   THR  39           HB       THR  39 -18.495   0.829  -8.612
  641    HG1  THR  39           HG1      THR  39 -16.678   2.700  -7.758
  642   HG21  THR  39          HG21      THR  39 -19.646   1.475  -6.565
  643   HG22  THR  39          HG22      THR  39 -18.159   1.252  -5.644
  644   HG23  THR  39          HG23      THR  39 -18.944  -0.134  -6.401
  645    H    ARG  40           H        ARG  40 -14.749   1.876  -8.471
  646    HA   ARG  40           HA       ARG  40 -15.131   1.402 -11.306
  647    HB2  ARG  40           HB2      ARG  40 -13.553   3.418  -9.730
  648    HB3  ARG  40           HB3      ARG  40 -13.425   3.282 -11.479
  649    HG2  ARG  40           HG2      ARG  40 -15.954   3.861  -9.949
  650    HG3  ARG  40           HG3      ARG  40 -14.970   5.050 -10.809
  651    HD2  ARG  40           HD2      ARG  40 -16.459   2.714 -11.998
  652    HD3  ARG  40           HD3      ARG  40 -16.834   4.426 -12.196
  653    HE   ARG  40           HE       ARG  40 -14.209   4.006 -13.066
  654   HH11  ARG  40          HH12      ARG  40 -17.473   3.164 -14.007
  655   HH12  ARG  40          HH11      ARG  40 -17.082   2.997 -15.688
  656   HH21  ARG  40          HH22      ARG  40 -13.685   3.777 -15.249
  657   HH22  ARG  40          HH21      ARG  40 -14.905   3.318 -16.400
  658    H    GLU  41           H        GLU  41 -12.246   1.651  -9.200
  659    HA   GLU  41           HA       GLU  41 -10.869  -0.025 -11.157
  660    HB2  GLU  41           HB2      GLU  41  -9.931   2.062  -9.259
  661    HB3  GLU  41           HB3      GLU  41  -8.812   0.797  -9.743
  662    HG2  GLU  41           HG2      GLU  41  -8.344   2.063 -11.492
  663    HG3  GLU  41           HG3      GLU  41  -9.914   1.588 -12.130
  664    H    LEU  42           H        LEU  42 -12.282  -0.426  -8.124
  665    HA   LEU  42           HA       LEU  42 -10.541  -2.772  -7.670
  666    HB2  LEU  42           HB2      LEU  42 -12.021  -1.179  -5.576
  667    HB3  LEU  42           HB3      LEU  42 -11.101  -2.636  -5.276
  668    HG   LEU  42           HG       LEU  42  -9.123  -1.226  -6.283
  669   HD11  LEU  42          HD11      LEU  42 -10.368   0.721  -6.940
  670   HD12  LEU  42          HD12      LEU  42 -11.049   0.904  -5.323
  671   HD13  LEU  42          HD13      LEU  42  -9.315   1.151  -5.586
  672   HD21  LEU  42          HD21      LEU  42 -10.221  -0.811  -3.506
  673   HD22  LEU  42          HD22      LEU  42  -9.213  -2.159  -4.036
  674   HD23  LEU  42          HD23      LEU  42  -8.556  -0.523  -4.011
  675    HA   PRO  43           HA       PRO  43 -15.279  -3.648  -7.943
  676    HB2  PRO  43           HB2      PRO  43 -14.875  -5.010 -10.497
  677    HB3  PRO  43           HB3      PRO  43 -16.002  -3.713 -10.093
  678    HG2  PRO  43           HG2      PRO  43 -13.870  -3.328 -11.705
  679    HG3  PRO  43           HG3      PRO  43 -14.503  -2.059 -10.639
  680    HD2  PRO  43           HD2      PRO  43 -12.132  -3.851 -10.255
  681    HD3  PRO  43           HD3      PRO  43 -12.299  -2.114  -9.916
  682    H    SER  44           H        SER  44 -12.450  -5.482  -8.722
  683    HA   SER  44           HA       SER  44 -13.542  -8.070  -8.409
  684    HB2  SER  44           HB2      SER  44 -10.979  -8.553  -8.017
  685    HB3  SER  44           HB3      SER  44 -11.560  -8.058  -9.607
  686    HG   SER  44           HG       SER  44 -10.245  -6.433  -9.438
  687    H    PHE  45           H        PHE  45 -12.365  -5.662  -6.196
  688    HA   PHE  45           HA       PHE  45 -12.199  -7.585  -4.006
  689    HB2  PHE  45           HB2      PHE  45 -11.680  -4.604  -3.966
  690    HB3  PHE  45           HB3      PHE  45 -11.234  -5.775  -2.723
  691    HD1  PHE  45           HD2      PHE  45  -9.463  -7.426  -3.165
  692    HD2  PHE  45           HD1      PHE  45 -10.355  -4.302  -5.912
  693    HE1  PHE  45           HE2      PHE  45  -7.314  -7.815  -4.302
  694    HE2  PHE  45           HE1      PHE  45  -8.210  -4.685  -7.054
  695    HZ   PHE  45           HZ       PHE  45  -6.687  -6.444  -6.249
  696    H    LEU  46           H        LEU  46 -14.687  -6.257  -5.452
  697    HA   LEU  46           HA       LEU  46 -16.057  -5.496  -2.966
  698    HB2  LEU  46           HB2      LEU  46 -16.721  -4.806  -5.819
  699    HB3  LEU  46           HB3      LEU  46 -17.738  -4.409  -4.436
  700    HG   LEU  46           HG       LEU  46 -14.986  -3.337  -5.059
  701   HD11  LEU  46          HD11      LEU  46 -16.845  -2.311  -6.258
  702   HD12  LEU  46          HD12      LEU  46 -17.681  -2.027  -4.731
  703   HD13  LEU  46          HD13      LEU  46 -16.162  -1.199  -5.071
  704   HD21  LEU  46          HD21      LEU  46 -16.662  -2.930  -2.581
  705   HD22  LEU  46          HD22      LEU  46 -15.139  -3.814  -2.663
  706   HD23  LEU  46          HD23      LEU  46 -15.168  -2.075  -2.967
  707    H    GLY  47           H        GLY  47 -16.102  -7.686  -5.657
  708    HA2  GLY  47           HA2      GLY  47 -17.253  -9.663  -5.915
  709    HA3  GLY  47           HA3      GLY  47 -17.835  -9.464  -4.270
  710    H    LYS  48           H        LYS  48 -18.386  -6.929  -6.534
  711    HA   LYS  48           HA       LYS  48 -20.112  -6.262  -7.833
  712    HB2  LYS  48           HB2      LYS  48 -20.186  -8.510  -8.753
  713    HB3  LYS  48           HB3      LYS  48 -21.185  -9.050  -7.413
  714    HG2  LYS  48           HG2      LYS  48 -22.522  -8.704  -9.407
  715    HG3  LYS  48           HG3      LYS  48 -22.979  -7.562  -8.144
  716    HD2  LYS  48           HD2      LYS  48 -22.886  -6.415 -10.264
  717    HD3  LYS  48           HD3      LYS  48 -21.570  -5.847  -9.237
  718    HE2  LYS  48           HE2      LYS  48 -20.028  -7.364 -10.413
  719    HE3  LYS  48           HE3      LYS  48 -21.352  -7.877 -11.461
  720    HZ1  LYS  48           HZ1      LYS  48 -21.569  -5.568 -12.211
  721    HZ2  LYS  48           HZ2      LYS  48 -20.028  -6.197 -12.549
  722    HZ3  LYS  48           HZ3      LYS  48 -20.242  -5.129 -11.251
  723    H    ARG  49           H        ARG  49 -21.224  -8.051  -4.953
  724    HA   ARG  49           HA       ARG  49 -23.695  -6.546  -4.912
  725    HB2  ARG  49           HB2      ARG  49 -24.352  -7.944  -3.072
  726    HB3  ARG  49           HB3      ARG  49 -23.616  -8.954  -4.307
  727    HG2  ARG  49           HG2      ARG  49 -21.565  -9.076  -3.041
  728    HG3  ARG  49           HG3      ARG  49 -22.217  -7.967  -1.833
  729    HD2  ARG  49           HD2      ARG  49 -22.402 -10.205  -0.991
  730    HD3  ARG  49           HD3      ARG  49 -24.018  -9.615  -1.376
  731    HE   ARG  49           HE       ARG  49 -23.481 -10.891  -3.609
  732   HH11  ARG  49          HH12      ARG  49 -22.821 -11.884  -0.317
  733   HH12  ARG  49          HH11      ARG  49 -22.879 -13.588  -0.686
  734   HH21  ARG  49          HH22      ARG  49 -23.602 -13.103  -4.093
  735   HH22  ARG  49          HH21      ARG  49 -23.323 -14.282  -2.840
  736    H    THR  50           H        THR  50 -21.297  -5.023  -4.567
  737    HA   THR  50           HA       THR  50 -21.094  -4.401  -1.773
  738    HB   THR  50           HB       THR  50 -19.740  -2.415  -3.091
  739    HG1  THR  50           HG1      THR  50 -20.006  -3.314  -5.114
  740   HG21  THR  50          HG21      THR  50 -18.777  -5.162  -2.269
  741   HG22  THR  50          HG22      THR  50 -18.970  -3.773  -1.199
  742   HG23  THR  50          HG23      THR  50 -17.765  -3.735  -2.485
  743    H    ASP  51           H        ASP  51 -22.776  -3.462  -0.966
  744    HA   ASP  51           HA       ASP  51 -23.414  -0.773  -1.991
  745    HB2  ASP  51           HB2      ASP  51 -25.038  -2.751  -0.422
  746    HB3  ASP  51           HB3      ASP  51 -25.351  -1.031  -0.221
  747    H    GLU  52           H        GLU  52 -24.442   0.100   0.584
  748    HA   GLU  52           HA       GLU  52 -21.961   0.914   1.730
  749    HB2  GLU  52           HB2      GLU  52 -24.569   1.239   3.168
  750    HB3  GLU  52           HB3      GLU  52 -23.203   2.339   3.085
  751    HG2  GLU  52           HG2      GLU  52 -25.249   1.805   0.948
  752    HG3  GLU  52           HG3      GLU  52 -25.034   3.283   1.879
  753    H    ALA  53           H        ALA  53 -23.622  -1.917   1.956
  754    HA   ALA  53           HA       ALA  53 -23.360  -2.506   4.735
  755    HB1  ALA  53           HB1      ALA  53 -23.725  -4.397   2.416
  756    HB2  ALA  53           HB2      ALA  53 -23.964  -4.777   4.121
  757    HB3  ALA  53           HB3      ALA  53 -25.022  -3.615   3.319
  758    H    ALA  54           H        ALA  54 -21.626  -3.897   1.896
  759    HA   ALA  54           HA       ALA  54 -19.591  -5.097   3.437
  760    HB1  ALA  54           HB1      ALA  54 -18.277  -5.189   1.329
  761    HB2  ALA  54           HB2      ALA  54 -19.928  -5.801   1.148
  762    HB3  ALA  54           HB3      ALA  54 -19.514  -4.192   0.551
  763    H    PHE  55           H        PHE  55 -20.085  -1.882   2.286
  764    HA   PHE  55           HA       PHE  55 -17.399  -0.983   2.708
  765    HB2  PHE  55           HB2      PHE  55 -19.974   0.296   1.916
  766    HB3  PHE  55           HB3      PHE  55 -18.657   1.318   2.486
  767    HD1  PHE  55           HD2      PHE  55 -19.568  -1.223  -0.042
  768    HD2  PHE  55           HD1      PHE  55 -16.856   1.839   1.111
  769    HE1  PHE  55           HE2      PHE  55 -18.515  -1.332  -2.262
  770    HE2  PHE  55           HE1      PHE  55 -15.791   1.734  -1.102
  771    HZ   PHE  55           HZ       PHE  55 -16.619   0.146  -2.792
  772    H    GLN  56           H        GLN  56 -20.111  -1.436   4.755
  773    HA   GLN  56           HA       GLN  56 -19.685   0.659   6.583
  774    HB2  GLN  56           HB2      GLN  56 -21.746  -0.646   6.576
  775    HB3  GLN  56           HB3      GLN  56 -20.859  -2.084   7.064
  776    HG2  GLN  56           HG2      GLN  56 -20.365  -1.146   9.199
  777    HG3  GLN  56           HG3      GLN  56 -21.005   0.423   8.714
  778   HE21  GLN  56          HE21      GLN  56 -21.793  -2.836   9.624
  779   HE22  GLN  56          HE22      GLN  56 -23.473  -2.553   9.944
  780    H    LYS  57           H        LYS  57 -18.377  -2.637   6.457
  781    HA   LYS  57           HA       LYS  57 -16.845  -2.258   8.863
  782    HB2  LYS  57           HB2      LYS  57 -17.510  -4.467   7.141
  783    HB3  LYS  57           HB3      LYS  57 -15.776  -4.428   7.419
  784    HG2  LYS  57           HG2      LYS  57 -17.777  -4.314   9.659
  785    HG3  LYS  57           HG3      LYS  57 -17.158  -5.829   9.007
  786    HD2  LYS  57           HD2      LYS  57 -15.687  -5.523  10.731
  787    HD3  LYS  57           HD3      LYS  57 -14.821  -4.663   9.458
  788    HE2  LYS  57           HE2      LYS  57 -15.628  -2.546  10.272
  789    HE3  LYS  57           HE3      LYS  57 -16.674  -3.347  11.443
  790    HZ1  LYS  57           HZ1      LYS  57 -13.701  -3.355  11.434
  791    HZ2  LYS  57           HZ2      LYS  57 -14.657  -4.243  12.511
  792    HZ3  LYS  57           HZ3      LYS  57 -14.705  -2.547  12.535
  793    H    LEU  58           H        LEU  58 -16.294  -2.175   5.397
  794    HA   LEU  58           HA       LEU  58 -13.530  -1.851   5.331
  795    HB2  LEU  58           HB2      LEU  58 -14.735  -2.120   3.284
  796    HB3  LEU  58           HB3      LEU  58 -15.696  -0.684   3.590
  797    HG   LEU  58           HG       LEU  58 -13.753   0.735   3.270
  798   HD11  LEU  58          HD11      LEU  58 -12.241  -1.821   2.759
  799   HD12  LEU  58          HD12      LEU  58 -11.609  -0.183   2.585
  800   HD13  LEU  58          HD13      LEU  58 -12.078  -0.784   4.175
  801   HD21  LEU  58          HD21      LEU  58 -14.986   0.308   1.290
  802   HD22  LEU  58          HD22      LEU  58 -13.281   0.182   0.867
  803   HD23  LEU  58          HD23      LEU  58 -14.249  -1.278   1.082
  804    H    MET  59           H        MET  59 -15.854   0.811   5.023
  805    HA   MET  59           HA       MET  59 -14.309   2.966   5.517
  806    HB2  MET  59           HB2      MET  59 -16.913   2.640   5.155
  807    HB3  MET  59           HB3      MET  59 -16.951   2.838   6.901
  808    HG2  MET  59           HG2      MET  59 -17.320   4.962   5.922
  809    HG3  MET  59           HG3      MET  59 -15.695   4.966   6.613
  810    HE1  MET  59           HE1      MET  59 -14.119   6.788   3.866
  811    HE2  MET  59           HE2      MET  59 -15.493   7.296   4.858
  812    HE3  MET  59           HE3      MET  59 -14.199   6.327   5.569
  813    H    SER  60           H        SER  60 -15.712   0.816   7.926
  814    HA   SER  60           HA       SER  60 -15.052   2.342  10.206
  815    HB2  SER  60           HB2      SER  60 -16.721   0.432  10.030
  816    HB3  SER  60           HB3      SER  60 -15.328  -0.654  10.076
  817    HG   SER  60           HG       SER  60 -14.890  -0.030  12.137
  818    H    ASN  61           H        ASN  61 -13.503  -0.560   8.828
  819    HA   ASN  61           HA       ASN  61 -11.364  -0.657  10.679
  820    HB2  ASN  61           HB2      ASN  61 -11.686  -1.780   7.897
  821    HB3  ASN  61           HB3      ASN  61 -10.261  -2.079   8.883
  822   HD21  ASN  61          HD21      ASN  61 -12.169  -3.970   7.840
  823   HD22  ASN  61          HD22      ASN  61 -12.815  -4.800   9.210
  824    H    LEU  62           H        LEU  62 -11.766   0.777   7.546
  825    HA   LEU  62           HA       LEU  62  -9.129   1.653   7.098
  826    HB2  LEU  62           HB2      LEU  62 -11.525   1.713   5.733
  827    HB3  LEU  62           HB3      LEU  62 -11.221   3.410   6.066
  828    HG   LEU  62           HG       LEU  62  -9.046   3.254   4.974
  829   HD11  LEU  62          HD11      LEU  62  -8.566   1.158   3.697
  830   HD12  LEU  62          HD12      LEU  62  -8.426   1.018   5.451
  831   HD13  LEU  62          HD13      LEU  62  -9.848   0.379   4.624
  832   HD21  LEU  62          HD21      LEU  62 -11.279   2.124   3.293
  833   HD22  LEU  62          HD22      LEU  62 -11.013   3.833   3.637
  834   HD23  LEU  62          HD23      LEU  62  -9.830   2.929   2.691
  835    H    ASP  63           H        ASP  63 -11.960   3.425   8.220
  836    HA   ASP  63           HA       ASP  63 -10.677   5.836   8.832
  837    HB2  ASP  63           HB2      ASP  63 -13.032   5.800   8.513
  838    HB3  ASP  63           HB3      ASP  63 -13.250   4.560   9.733
  839    H    SER  64           H        SER  64  -8.855   5.564  10.025
  840    HA   SER  64           HA       SER  64  -8.918   3.997  12.467
  841    HB2  SER  64           HB2      SER  64  -6.506   4.264  12.462
  842    HB3  SER  64           HB3      SER  64  -7.018   3.882  10.826
  843    HG   SER  64           HG       SER  64  -7.026   6.274  10.522
  844    H    ASN  65           H        ASN  65  -9.197   7.244  11.437
  845    HA   ASN  65           HA       ASN  65  -8.559   8.410  14.015
  846    HB2  ASN  65           HB2      ASN  65  -9.123  10.537  12.986
  847    HB3  ASN  65           HB3      ASN  65  -8.085   9.623  11.902
  848   HD21  ASN  65          HD21      ASN  65  -8.987   8.706  10.012
  849   HD22  ASN  65          HD22      ASN  65 -10.490   9.291   9.370
  850    H    ARG  66           H        ARG  66 -11.255   7.080  12.417
  851    HA   ARG  66           HA       ARG  66 -13.218   6.350  13.253
  852    HB2  ARG  66           HB2      ARG  66 -12.467   7.695  15.849
  853    HB3  ARG  66           HB3      ARG  66 -13.743   6.510  15.619
  854    HG2  ARG  66           HG2      ARG  66 -10.773   6.070  15.418
  855    HG3  ARG  66           HG3      ARG  66 -11.884   5.407  16.616
  856    HD2  ARG  66           HD2      ARG  66 -11.934   4.790  13.663
  857    HD3  ARG  66           HD3      ARG  66 -11.221   3.761  14.901
  858    HE   ARG  66           HE       ARG  66 -13.563   3.678  15.848
  859   HH11  ARG  66          HH12      ARG  66 -12.890   4.102  12.442
  860   HH12  ARG  66          HH11      ARG  66 -14.403   3.432  11.932
  861   HH21  ARG  66          HH22      ARG  66 -15.542   2.748  15.177
  862   HH22  ARG  66          HH21      ARG  66 -15.930   2.687  13.481
  863    H    ASP  67           H        ASP  67 -13.192   8.673  11.726
  864    HA   ASP  67           HA       ASP  67 -15.649   9.902  12.802
  865    HB2  ASP  67           HB2      ASP  67 -13.748  11.512  12.971
  866    HB3  ASP  67           HB3      ASP  67 -13.558  11.417  11.221
  867    H    ASN  68           H        ASN  68 -14.528   7.889  10.629
  868    HA   ASN  68           HA       ASN  68 -15.297   6.988   8.707
  869    HB2  ASN  68           HB2      ASN  68 -17.609   8.708   9.452
  870    HB3  ASN  68           HB3      ASN  68 -17.569   8.029   7.830
  871   HD21  ASN  68          HD21      ASN  68 -16.136   5.622   8.728
  872   HD22  ASN  68          HD22      ASN  68 -17.322   4.654   9.536
  873    H    GLU  69           H        GLU  69 -13.587   9.408   8.706
  874    HA   GLU  69           HA       GLU  69 -13.975   9.990   5.851
  875    HB2  GLU  69           HB2      GLU  69 -12.983  11.864   7.998
  876    HB3  GLU  69           HB3      GLU  69 -12.715  12.150   6.286
  877    HG2  GLU  69           HG2      GLU  69 -15.254  11.966   6.048
  878    HG3  GLU  69           HG3      GLU  69 -15.294  12.143   7.803
  879    H    VAL  70           H        VAL  70 -12.386   9.262   4.627
  880    HA   VAL  70           HA       VAL  70  -9.960   8.321   5.957
  881    HB   VAL  70           HB       VAL  70 -11.204   7.637   3.302
  882   HG11  VAL  70          HG11      VAL  70  -9.364   6.061   2.940
  883   HG12  VAL  70          HG12      VAL  70  -8.795   7.731   2.962
  884   HG13  VAL  70          HG13      VAL  70  -8.547   6.696   4.369
  885   HG21  VAL  70          HG21      VAL  70 -10.565   5.989   5.739
  886   HG22  VAL  70          HG22      VAL  70 -12.164   6.570   5.272
  887   HG23  VAL  70          HG23      VAL  70 -11.322   5.397   4.261
  888    H    ASP  71           H        ASP  71  -8.496   9.920   6.066
  889    HA   ASP  71           HA       ASP  71  -7.801  11.463   3.708
  890    HB2  ASP  71           HB2      ASP  71  -7.525  12.181   6.220
  891    HB3  ASP  71           HB3      ASP  71  -6.049  11.219   6.145
  892    H    PHE  72           H        PHE  72  -5.111  11.321   3.457
  893    HA   PHE  72           HA       PHE  72  -4.851   8.896   2.053
  894    HB2  PHE  72           HB2      PHE  72  -3.569  11.062   1.653
  895    HB3  PHE  72           HB3      PHE  72  -2.471  10.493   2.921
  896    HD1  PHE  72           HD2      PHE  72  -3.940   9.680  -0.337
  897    HD2  PHE  72           HD1      PHE  72  -0.964   8.734   2.534
  898    HE1  PHE  72           HE2      PHE  72  -2.908   8.149  -1.938
  899    HE2  PHE  72           HE1      PHE  72   0.079   7.189   0.946
  900    HZ   PHE  72           HZ       PHE  72  -0.855   6.910  -1.278
  901    H    GLN  73           H        GLN  73  -3.878   9.804   5.289
  902    HA   GLN  73           HA       GLN  73  -2.282   7.720   6.075
  903    HB2  GLN  73           HB2      GLN  73  -4.467   9.210   7.493
  904    HB3  GLN  73           HB3      GLN  73  -3.633   7.889   8.296
  905    HG2  GLN  73           HG2      GLN  73  -2.115  10.153   7.067
  906    HG3  GLN  73           HG3      GLN  73  -2.812  10.285   8.681
  907   HE21  GLN  73          HE21      GLN  73  -2.416   7.521   9.359
  908   HE22  GLN  73          HE22      GLN  73  -0.720   7.302   9.607
  909    H    GLU  74           H        GLU  74  -5.861   7.707   6.211
  910    HA   GLU  74           HA       GLU  74  -5.970   4.945   6.929
  911    HB2  GLU  74           HB2      GLU  74  -8.385   6.043   5.679
  912    HB3  GLU  74           HB3      GLU  74  -8.174   5.318   7.264
  913    HG2  GLU  74           HG2      GLU  74  -7.398   8.147   6.604
  914    HG3  GLU  74           HG3      GLU  74  -8.966   7.687   7.257
  915    H    TYR  75           H        TYR  75  -5.371   6.544   4.070
  916    HA   TYR  75           HA       TYR  75  -6.773   4.700   2.325
  917    HB2  TYR  75           HB2      TYR  75  -6.705   7.195   1.976
  918    HB3  TYR  75           HB3      TYR  75  -5.004   7.022   1.565
  919    HD1  TYR  75           HD2      TYR  75  -4.445   5.414  -0.381
  920    HD2  TYR  75           HD1      TYR  75  -8.333   7.010   0.342
  921    HE1  TYR  75           HE2      TYR  75  -5.055   4.936  -2.716
  922    HE2  TYR  75           HE1      TYR  75  -8.949   6.531  -2.008
  923    HH   TYR  75           HH       TYR  75  -7.058   4.572  -4.048
  924    H    CYS  76           H        CYS  76  -3.419   5.482   3.233
  925    HA   CYS  76           HA       CYS  76  -2.165   3.910   1.242
  926    HB2  CYS  76           HB2      CYS  76  -0.183   3.947   2.654
  927    HB3  CYS  76           HB3      CYS  76  -0.927   5.528   2.658
  928    HG   CYS  76           HG       CYS  76   0.096   3.976   5.189
  929    H    VAL  77           H        VAL  77  -3.284   3.190   4.472
  930    HA   VAL  77           HA       VAL  77  -2.378   0.489   4.424
  931    HB   VAL  77           HB       VAL  77  -3.601   0.277   6.545
  932   HG11  VAL  77          HG11      VAL  77  -2.251   1.909   7.763
  933   HG12  VAL  77          HG12      VAL  77  -1.327   1.145   6.469
  934   HG13  VAL  77          HG13      VAL  77  -1.952   2.782   6.260
  935   HG21  VAL  77          HG21      VAL  77  -5.512   1.730   6.037
  936   HG22  VAL  77          HG22      VAL  77  -4.702   2.240   7.518
  937   HG23  VAL  77          HG23      VAL  77  -4.442   3.133   6.018
  938    H    PHE  78           H        PHE  78  -5.161   2.131   3.306
  939    HA   PHE  78           HA       PHE  78  -7.045   0.111   3.198
  940    HB2  PHE  78           HB2      PHE  78  -7.523   2.405   2.497
  941    HB3  PHE  78           HB3      PHE  78  -6.358   2.278   1.189
  942    HD1  PHE  78           HD1      PHE  78  -9.316   0.273   2.303
  943    HD2  PHE  78           HD2      PHE  78  -7.252   2.270  -0.825
  944    HE1  PHE  78           HE1      PHE  78 -11.098  -0.347   0.729
  945    HE2  PHE  78           HE2      PHE  78  -9.013   1.650  -2.406
  946    HZ   PHE  78           HZ       PHE  78 -10.953   0.341  -1.629
  947    H    LEU  79           H        LEU  79  -4.704   0.999   0.697
  948    HA   LEU  79           HA       LEU  79  -5.354  -1.266  -0.868
  949    HB2  LEU  79           HB2      LEU  79  -3.152   0.760  -1.071
  950    HB3  LEU  79           HB3      LEU  79  -3.447  -0.491  -2.273
  951    HG   LEU  79           HG       LEU  79  -5.320   1.722  -1.470
  952   HD11  LEU  79          HD11      LEU  79  -3.953   1.071  -4.073
  953   HD12  LEU  79          HD12      LEU  79  -5.111   2.376  -3.814
  954   HD13  LEU  79          HD13      LEU  79  -3.551   2.404  -2.988
  955   HD21  LEU  79          HD21      LEU  79  -5.797  -0.515  -3.430
  956   HD22  LEU  79          HD22      LEU  79  -6.442  -0.474  -1.786
  957   HD23  LEU  79          HD23      LEU  79  -6.926   0.756  -2.957
  958    H    SER  80           H        SER  80  -2.484  -0.502   1.102
  959    HA   SER  80           HA       SER  80  -1.038  -2.748   0.264
  960    HB2  SER  80           HB2      SER  80  -0.920  -1.236   2.871
  961    HB3  SER  80           HB3      SER  80   0.300  -2.381   2.306
  962    HG   SER  80           HG       SER  80   1.100  -0.840   1.160
  963    H    CYS  81           H        CYS  81  -3.548  -2.368   2.645
  964    HA   CYS  81           HA       CYS  81  -3.215  -5.037   3.658
  965    HB2  CYS  81           HB2      CYS  81  -5.288  -2.915   4.109
  966    HB3  CYS  81           HB3      CYS  81  -5.345  -4.501   4.883
  967    HG   CYS  81           HG       CYS  81  -3.242  -1.913   5.435
  968    H    ILE  82           H        ILE  82  -4.909  -3.566   1.017
  969    HA   ILE  82           HA       ILE  82  -6.680  -5.853   0.717
  970    HB   ILE  82           HB       ILE  82  -6.163  -3.756  -1.403
  971   HG12  ILE  82          HG12      ILE  82  -8.218  -3.742   0.815
  972   HG13  ILE  82          HG13      ILE  82  -6.892  -2.599   0.609
  973   HG21  ILE  82          HG21      ILE  82  -8.609  -5.447  -0.884
  974   HG22  ILE  82          HG22      ILE  82  -8.269  -4.446  -2.297
  975   HG23  ILE  82          HG23      ILE  82  -7.321  -5.907  -2.005
  976   HD11  ILE  82          HD11      ILE  82  -9.015  -1.659  -0.102
  977   HD12  ILE  82          HD12      ILE  82  -7.882  -1.792  -1.447
  978   HD13  ILE  82          HD13      ILE  82  -9.197  -2.954  -1.284
  979    H    ALA  83           H        ALA  83  -3.497  -4.777  -0.377
  980    HA   ALA  83           HA       ALA  83  -2.975  -6.814  -2.213
  981    HB1  ALA  83           HB1      ALA  83  -1.158  -5.714  -0.083
  982    HB2  ALA  83           HB2      ALA  83  -0.656  -6.602  -1.523
  983    HB3  ALA  83           HB3      ALA  83  -1.415  -5.018  -1.682
  984    H    MET  84           H        MET  84  -2.532  -6.815   1.317
  985    HA   MET  84           HA       MET  84  -1.856  -9.505   1.589
  986    HB2  MET  84           HB2      MET  84  -3.160  -7.557   3.475
  987    HB3  MET  84           HB3      MET  84  -2.842  -9.223   3.947
  988    HG2  MET  84           HG2      MET  84  -0.477  -8.920   3.539
  989    HG3  MET  84           HG3      MET  84  -0.764  -7.275   2.977
  990    HE1  MET  84           HE1      MET  84  -1.393  -5.277   4.486
  991    HE2  MET  84           HE2      MET  84  -2.865  -6.128   4.954
  992    HE3  MET  84           HE3      MET  84  -1.829  -5.407   6.192
  993    H    MET  85           H        MET  85  -4.996  -7.923   1.472
  994    HA   MET  85           HA       MET  85  -6.636 -10.185   1.735
  995    HB2  MET  85           HB2      MET  85  -7.488  -7.854   1.653
  996    HB3  MET  85           HB3      MET  85  -7.035  -7.767  -0.041
  997    HG2  MET  85           HG2      MET  85  -8.566  -9.934  -0.169
  998    HG3  MET  85           HG3      MET  85  -9.304  -9.159   1.237
  999    HE1  MET  85           HE1      MET  85 -10.895  -6.004  -0.041
 1000    HE2  MET  85           HE2      MET  85 -11.037  -7.349   1.103
 1001    HE3  MET  85           HE3      MET  85  -9.564  -6.352   1.076
 1002    H    CYS  86           H        CYS  86  -5.221  -8.654  -1.137
 1003    HA   CYS  86           HA       CYS  86  -6.352 -10.285  -3.071
 1004    HB2  CYS  86           HB2      CYS  86  -5.222  -8.095  -3.440
 1005    HB3  CYS  86           HB3      CYS  86  -3.672  -8.898  -3.219
 1006    HG   CYS  86           HG       CYS  86  -3.627  -8.769  -5.852
 1007    H    ASN  87           H        ASN  87  -3.794 -11.127  -0.885
 1008    HA   ASN  87           HA       ASN  87  -2.698 -13.155  -2.623
 1009    HB2  ASN  87           HB2      ASN  87  -1.401 -12.058  -0.756
 1010    HB3  ASN  87           HB3      ASN  87  -2.377 -12.988   0.375
 1011   HD21  ASN  87          HD21      ASN  87  -2.003 -15.178   0.624
 1012   HD22  ASN  87          HD22      ASN  87  -0.642 -15.978  -0.096
 1013    H    GLU  88           H        GLU  88  -4.832 -13.132   0.208
 1014    HA   GLU  88           HA       GLU  88  -5.387 -15.946   0.019
 1015    HB2  GLU  88           HB2      GLU  88  -6.266 -13.692   1.753
 1016    HB3  GLU  88           HB3      GLU  88  -7.317 -15.096   1.659
 1017    HG2  GLU  88           HG2      GLU  88  -5.773 -15.200   3.559
 1018    HG3  GLU  88           HG3      GLU  88  -5.537 -16.532   2.429
 1019    H    PHE  89           H        PHE  89  -7.105 -12.956  -0.731
 1020    HA   PHE  89           HA       PHE  89  -9.331 -14.390  -1.881
 1021    HB2  PHE  89           HB2      PHE  89  -8.701 -11.472  -1.437
 1022    HB3  PHE  89           HB3      PHE  89 -10.034 -11.966  -2.499
 1023    HD1  PHE  89           HD2      PHE  89  -8.719 -12.090   0.932
 1024    HD2  PHE  89           HD1      PHE  89 -12.048 -12.861  -1.601
 1025    HE1  PHE  89           HE2      PHE  89 -10.141 -12.427   2.913
 1026    HE2  PHE  89           HE1      PHE  89 -13.477 -13.206   0.372
 1027    HZ   PHE  89           HZ       PHE  89 -12.524 -12.989   2.634
 1028    H    PHE  90           H        PHE  90  -6.310 -13.896  -2.953
 1029    HA   PHE  90           HA       PHE  90  -6.559 -13.336  -5.689
 1030    HB2  PHE  90           HB2      PHE  90  -4.478 -14.015  -4.149
 1031    HB3  PHE  90           HB3      PHE  90  -4.819 -15.607  -4.811
 1032    HD1  PHE  90           HD1      PHE  90  -5.825 -13.857  -7.452
 1033    HD2  PHE  90           HD2      PHE  90  -2.237 -14.457  -5.243
 1034    HE1  PHE  90           HE1      PHE  90  -4.504 -13.285  -9.447
 1035    HE2  PHE  90           HE2      PHE  90  -0.906 -13.888  -7.233
 1036    HZ   PHE  90           HZ       PHE  90  -2.044 -13.299  -9.339
 1037    H    GLU  91           H        GLU  91  -6.953 -16.309  -3.850
 1038    HA   GLU  91           HA       GLU  91  -7.749 -17.883  -6.116
 1039    HB2  GLU  91           HB2      GLU  91  -8.196 -18.591  -3.219
 1040    HB3  GLU  91           HB3      GLU  91  -7.959 -19.676  -4.580
 1041    HG2  GLU  91           HG2      GLU  91  -5.883 -17.908  -3.309
 1042    HG3  GLU  91           HG3      GLU  91  -6.004 -19.661  -3.175
 1043    H    GLY  92           H        GLY  92  -9.222 -15.736  -3.948
 1044    HA2  GLY  92           HA2      GLY  92 -11.363 -14.917  -3.871
 1045    HA3  GLY  92           HA3      GLY  92 -11.797 -16.031  -5.164
 1046    H    PHE  93           H        PHE  93 -10.419 -16.783  -2.012
 1047    HA   PHE  93           HA       PHE  93 -12.716 -18.458  -1.446
 1048    HB2  PHE  93           HB2      PHE  93  -9.865 -18.410  -0.586
 1049    HB3  PHE  93           HB3      PHE  93 -11.052 -19.121   0.489
 1050    HD1  PHE  93           HD2      PHE  93  -9.838 -19.272  -3.018
 1051    HD2  PHE  93           HD1      PHE  93 -11.666 -21.331   0.223
 1052    HE1  PHE  93           HE2      PHE  93  -9.719 -21.373  -4.293
 1053    HE2  PHE  93           HE1      PHE  93 -11.550 -23.435  -1.044
 1054    HZ   PHE  93           HZ       PHE  93 -10.576 -23.459  -3.306
 1055    HA   PRO  94           HA       PRO  94 -13.845 -15.307   1.616
 1056    HB2  PRO  94           HB2      PRO  94 -16.311 -16.351   2.093
 1057    HB3  PRO  94           HB3      PRO  94 -15.979 -15.257   0.745
 1058    HG2  PRO  94           HG2      PRO  94 -16.243 -18.231   0.752
 1059    HG3  PRO  94           HG3      PRO  94 -16.817 -17.056  -0.445
 1060    HD2  PRO  94           HD2      PRO  94 -14.557 -18.554  -0.769
 1061    HD3  PRO  94           HD3      PRO  94 -14.783 -16.954  -1.501
 1062    H    ASP  95           H        ASP  95 -12.254 -16.174   2.980
 1063    HA   ASP  95           HA       ASP  95 -11.433 -17.198   4.828
 1064    HB2  ASP  95           HB2      ASP  95 -14.211 -18.372   5.119
 1065    HB3  ASP  95           HB3      ASP  95 -12.909 -18.599   6.279
 1066    H    LYS  96           H        LYS  96 -10.097 -18.905   4.917
 1067    HA   LYS  96           HA       LYS  96 -10.282 -20.771   2.713
 1068    HB2  LYS  96           HB2      LYS  96  -8.159 -19.578   3.382
 1069    HB3  LYS  96           HB3      LYS  96  -8.125 -20.585   4.822
 1070    HG2  LYS  96           HG2      LYS  96  -7.913 -22.576   3.463
 1071    HG3  LYS  96           HG3      LYS  96  -8.037 -21.611   1.992
 1072    HD2  LYS  96           HD2      LYS  96  -5.977 -20.440   2.579
 1073    HD3  LYS  96           HD3      LYS  96  -5.862 -21.378   4.069
 1074    HE2  LYS  96           HE2      LYS  96  -5.583 -23.418   2.829
 1075    HE3  LYS  96           HE3      LYS  96  -5.879 -22.580   1.306
 1076    HZ1  LYS  96           HZ1      LYS  96  -3.572 -22.122   3.123
 1077    HZ2  LYS  96           HZ2      LYS  96  -3.869 -21.282   1.680
 1078    HZ3  LYS  96           HZ3      LYS  96  -3.527 -22.943   1.639
 1079    H    GLN  97           H        GLN  97 -12.124 -20.932   4.911
 1080    HA   GLN  97           HA       GLN  97 -12.343 -23.701   5.235
 1081    HB2  GLN  97           HB2      GLN  97 -10.435 -23.404   6.779
 1082    HB3  GLN  97           HB3      GLN  97 -11.361 -22.212   7.682
 1083    HG2  GLN  97           HG2      GLN  97 -12.983 -23.924   8.291
 1084    HG3  GLN  97           HG3      GLN  97 -12.068 -25.119   7.374
 1085   HE21  GLN  97          HE21      GLN  97 -12.748 -25.065  10.203
 1086   HE22  GLN  97          HE22      GLN  97 -11.236 -25.156  11.051
 1087    HA   PRO  98           HA       PRO  98 -16.409 -22.018   6.127
 1088    HB2  PRO  98           HB2      PRO  98 -17.030 -24.754   7.040
 1089    HB3  PRO  98           HB3      PRO  98 -17.793 -23.796   5.768
 1090    HG2  PRO  98           HG2      PRO  98 -16.220 -25.894   5.196
 1091    HG3  PRO  98           HG3      PRO  98 -16.256 -24.446   4.172
 1092    HD2  PRO  98           HD2      PRO  98 -14.224 -25.281   6.206
 1093    HD3  PRO  98           HD3      PRO  98 -13.983 -24.523   4.617
 1094    H    ARG  99           H        ARG  99 -15.663 -20.780   7.905
 1095    HA   ARG  99           HA       ARG  99 -16.428 -21.820  10.501
 1096    HB2  ARG  99           HB2      ARG  99 -14.288 -21.369  11.570
 1097    HB3  ARG  99           HB3      ARG  99 -14.073 -22.544  10.280
 1098    HG2  ARG  99           HG2      ARG  99 -13.201 -20.789   8.821
 1099    HG3  ARG  99           HG3      ARG  99 -13.430 -19.603  10.110
 1100    HD2  ARG  99           HD2      ARG  99 -11.878 -20.905  11.528
 1101    HD3  ARG  99           HD3      ARG  99 -11.602 -22.001  10.175
 1102    HE   ARG  99           HE       ARG  99 -11.073 -19.368   9.334
 1103   HH11  ARG  99          HH12      ARG  99  -9.768 -21.799  11.503
 1104   HH12  ARG  99          HH11      ARG  99  -8.127 -21.240  11.350
 1105   HH21  ARG  99          HH22      ARG  99  -8.906 -18.638   9.127
 1106   HH22  ARG  99          HH21      ARG  99  -7.636 -19.449   9.994
 1107    H    LYS 100           H        LYS 100 -16.845 -19.547   8.423
 1108    HA   LYS 100           HA       LYS 100 -16.138 -17.164   9.857
 1109    HB2  LYS 100           HB2      LYS 100 -16.232 -17.118   7.436
 1110    HB3  LYS 100           HB3      LYS 100 -17.914 -17.622   7.456
 1111    HG2  LYS 100           HG2      LYS 100 -17.736 -15.261   6.970
 1112    HG3  LYS 100           HG3      LYS 100 -18.533 -15.509   8.523
 1113    HD2  LYS 100           HD2      LYS 100 -16.449 -15.006   9.685
 1114    HD3  LYS 100           HD3      LYS 100 -15.627 -14.797   8.137
 1115    HE2  LYS 100           HE2      LYS 100 -16.252 -12.647   9.150
 1116    HE3  LYS 100           HE3      LYS 100 -17.049 -12.910   7.600
 1117    HZ1  LYS 100           HZ1      LYS 100 -19.075 -13.445   8.697
 1118    HZ2  LYS 100           HZ2      LYS 100 -18.504 -12.001   9.381
 1119    HZ3  LYS 100           HZ3      LYS 100 -18.334 -13.461  10.222
 1120    H    LYS 101           H        LYS 101 -17.208 -16.329  11.505
 1121    HA   LYS 101           HA       LYS 101 -19.955 -17.149  12.026
 1122    HB2  LYS 101           HB2      LYS 101 -17.886 -15.658  13.614
 1123    HB3  LYS 101           HB3      LYS 101 -19.580 -15.559  14.065
 1124    HG2  LYS 101           HG2      LYS 101 -18.599 -17.248  15.400
 1125    HG3  LYS 101           HG3      LYS 101 -19.601 -18.063  14.198
 1126    HD2  LYS 101           HD2      LYS 101 -17.532 -19.255  14.401
 1127    HD3  LYS 101           HD3      LYS 101 -17.549 -18.435  12.838
 1128    HE2  LYS 101           HE2      LYS 101 -15.381 -18.143  13.794
 1129    HE3  LYS 101           HE3      LYS 101 -16.221 -16.596  13.873
 1130    HZ1  LYS 101           HZ1      LYS 101 -16.790 -17.160  16.217
 1131    HZ2  LYS 101           HZ2      LYS 101 -15.131 -16.951  15.935
 1132    HZ3  LYS 101           HZ3      LYS 101 -15.772 -18.512  16.096
 1133    H    MET   1           H1       MET   1  -3.940   3.451 -20.004
 1134    HA   MET   1           HA       MET   1  -3.286   1.275 -20.810
 1135    HB2  MET   1           HB2      MET   1  -2.017   2.005 -18.159
 1136    HB3  MET   1           HB3      MET   1  -1.295   0.978 -19.388
 1137    HG2  MET   1           HG2      MET   1  -1.242   2.851 -20.942
 1138    HG3  MET   1           HG3      MET   1  -2.000   3.884 -19.732
 1139    HE1  MET   1           HE1      MET   1  -0.503   2.807 -17.075
 1140    HE2  MET   1           HE2      MET   1   0.796   3.996 -16.960
 1141    HE3  MET   1           HE3      MET   1  -0.832   4.509 -17.405
 1142    H    ALA   2           H        ALA   2  -2.743   0.553 -17.438
 1143    HA   ALA   2           HA       ALA   2  -4.520  -1.773 -17.642
 1144    HB1  ALA   2           HB1      ALA   2  -2.182  -2.184 -16.979
 1145    HB2  ALA   2           HB2      ALA   2  -2.394  -1.104 -15.601
 1146    HB3  ALA   2           HB3      ALA   2  -3.310  -2.608 -15.688
 1147    H    CYS   3           H        CYS   3  -5.708  -2.253 -15.490
 1148    HA   CYS   3           HA       CYS   3  -7.193   0.019 -14.633
 1149    HB2  CYS   3           HB2      CYS   3  -7.015  -2.731 -13.376
 1150    HB3  CYS   3           HB3      CYS   3  -8.251  -1.522 -13.051
 1151    HG   CYS   3           HG       CYS   3  -9.670  -3.172 -14.577
 1152    HA   PRO   4           HA       PRO   4  -3.603   1.452 -12.463
 1153    HB2  PRO   4           HB2      PRO   4  -5.668   3.221 -11.247
 1154    HB3  PRO   4           HB3      PRO   4  -4.103   3.652 -11.947
 1155    HG2  PRO   4           HG2      PRO   4  -6.304   4.109 -13.316
 1156    HG3  PRO   4           HG3      PRO   4  -4.896   3.403 -14.139
 1157    HD2  PRO   4           HD2      PRO   4  -7.401   2.070 -13.187
 1158    HD3  PRO   4           HD3      PRO   4  -6.484   1.806 -14.686
 1159    H    LEU   5           H        LEU   5  -6.526   1.647 -10.449
 1160    HA   LEU   5           HA       LEU   5  -5.027   1.191  -8.076
 1161    HB2  LEU   5           HB2      LEU   5  -7.442   2.324  -8.650
 1162    HB3  LEU   5           HB3      LEU   5  -7.933   0.791  -7.956
 1163    HG   LEU   5           HG       LEU   5  -7.867   2.612  -6.302
 1164   HD11  LEU   5          HD11      LEU   5  -5.841   0.439  -5.877
 1165   HD12  LEU   5          HD12      LEU   5  -6.581   1.423  -4.612
 1166   HD13  LEU   5          HD13      LEU   5  -7.576   0.331  -5.577
 1167   HD21  LEU   5          HD21      LEU   5  -4.905   2.606  -6.848
 1168   HD22  LEU   5          HD22      LEU   5  -6.032   3.916  -7.201
 1169   HD23  LEU   5          HD23      LEU   5  -5.709   3.459  -5.528
 1170    H    GLU   6           H        GLU   6  -6.897  -0.839 -10.239
 1171    HA   GLU   6           HA       GLU   6  -7.153  -3.046  -8.497
 1172    HB2  GLU   6           HB2      GLU   6  -8.532  -2.854 -10.505
 1173    HB3  GLU   6           HB3      GLU   6  -7.101  -3.008 -11.518
 1174    HG2  GLU   6           HG2      GLU   6  -6.754  -5.263 -10.795
 1175    HG3  GLU   6           HG3      GLU   6  -8.036  -5.122  -9.594
 1176    H    LYS   7           H        LYS   7  -4.730  -2.204 -10.951
 1177    HA   LYS   7           HA       LYS   7  -3.204  -4.547 -10.637
 1178    HB2  LYS   7           HB2      LYS   7  -2.405  -1.804 -11.641
 1179    HB3  LYS   7           HB3      LYS   7  -1.343  -3.209 -11.691
 1180    HG2  LYS   7           HG2      LYS   7  -3.992  -2.893 -13.098
 1181    HG3  LYS   7           HG3      LYS   7  -2.393  -2.855 -13.838
 1182    HD2  LYS   7           HD2      LYS   7  -3.550  -5.238 -12.389
 1183    HD3  LYS   7           HD3      LYS   7  -3.589  -5.016 -14.134
 1184    HE2  LYS   7           HE2      LYS   7  -1.176  -5.031 -14.232
 1185    HE3  LYS   7           HE3      LYS   7  -1.074  -5.119 -12.474
 1186    HZ1  LYS   7           HZ1      LYS   7  -1.952  -7.288 -12.473
 1187    HZ2  LYS   7           HZ2      LYS   7  -0.786  -7.273 -13.701
 1188    HZ3  LYS   7           HZ3      LYS   7  -2.430  -7.196 -14.099
 1189    H    ALA   8           H        ALA   8  -3.237  -1.501  -8.915
 1190    HA   ALA   8           HA       ALA   8  -0.912  -1.587  -7.484
 1191    HB1  ALA   8           HB1      ALA   8  -3.607  -0.838  -6.364
 1192    HB2  ALA   8           HB2      ALA   8  -2.037  -0.358  -5.721
 1193    HB3  ALA   8           HB3      ALA   8  -2.556   0.218  -7.306
 1194    H    LEU   9           H        LEU   9  -3.960  -3.225  -6.501
 1195    HA   LEU   9           HA       LEU   9  -2.677  -4.524  -4.295
 1196    HB2  LEU   9           HB2      LEU   9  -5.302  -5.255  -5.602
 1197    HB3  LEU   9           HB3      LEU   9  -4.722  -5.846  -4.070
 1198    HG   LEU   9           HG       LEU   9  -6.263  -4.238  -3.459
 1199   HD11  LEU   9          HD11      LEU   9  -4.991  -2.391  -2.525
 1200   HD12  LEU   9          HD12      LEU   9  -4.172  -3.938  -2.301
 1201   HD13  LEU   9          HD13      LEU   9  -3.619  -2.820  -3.549
 1202   HD21  LEU   9          HD21      LEU   9  -6.635  -3.272  -5.679
 1203   HD22  LEU   9          HD22      LEU   9  -6.477  -2.035  -4.431
 1204   HD23  LEU   9          HD23      LEU   9  -5.133  -2.362  -5.524
 1205    H    ASP  10           H        ASP  10  -3.664  -5.522  -7.527
 1206    HA   ASP  10           HA       ASP  10  -3.100  -8.243  -7.364
 1207    HB2  ASP  10           HB2      ASP  10  -4.300  -7.468  -9.254
 1208    HB3  ASP  10           HB3      ASP  10  -3.058  -6.292  -9.663
 1209    H    VAL  11           H        VAL  11  -0.959  -5.590  -8.379
 1210    HA   VAL  11           HA       VAL  11   1.183  -7.353  -9.021
 1211    HB   VAL  11           HB       VAL  11   2.530  -5.423  -9.403
 1212   HG11  VAL  11          HG11      VAL  11  -0.305  -4.839 -10.236
 1213   HG12  VAL  11          HG12      VAL  11   1.155  -4.201 -10.989
 1214   HG13  VAL  11          HG13      VAL  11   0.808  -5.929 -11.063
 1215   HG21  VAL  11          HG21      VAL  11   1.797  -3.156  -8.815
 1216   HG22  VAL  11          HG22      VAL  11   0.395  -3.832  -7.984
 1217   HG23  VAL  11          HG23      VAL  11   2.020  -4.167  -7.387
 1218    H    MET  12           H        MET  12   0.163  -5.821  -6.067
 1219    HA   MET  12           HA       MET  12   2.583  -5.761  -4.667
 1220    HB2  MET  12           HB2      MET  12  -0.213  -6.312  -3.706
 1221    HB3  MET  12           HB3      MET  12   1.166  -6.230  -2.620
 1222    HG2  MET  12           HG2      MET  12   1.431  -3.906  -4.012
 1223    HG3  MET  12           HG3      MET  12  -0.322  -4.095  -3.942
 1224    HE1  MET  12           HE1      MET  12   0.635  -1.682  -2.869
 1225    HE2  MET  12           HE2      MET  12  -0.966  -2.081  -2.206
 1226    HE3  MET  12           HE3      MET  12   0.332  -1.536  -1.131
 1227    H    VAL  13           H        VAL  13   0.158  -8.382  -4.726
 1228    HA   VAL  13           HA       VAL  13   1.972 -10.174  -3.412
 1229    HB   VAL  13           HB       VAL  13   0.207 -11.901  -3.815
 1230   HG11  VAL  13          HG11      VAL  13   0.310 -10.568  -1.771
 1231   HG12  VAL  13          HG12      VAL  13  -0.698  -9.334  -2.526
 1232   HG13  VAL  13          HG13      VAL  13  -1.356 -10.940  -2.216
 1233   HG21  VAL  13          HG21      VAL  13  -1.327  -9.571  -4.958
 1234   HG22  VAL  13          HG22      VAL  13  -0.763 -10.978  -5.859
 1235   HG23  VAL  13          HG23      VAL  13  -1.983 -11.169  -4.600
 1236    H    SER  14           H        SER  14   1.075  -9.537  -6.727
 1237    HA   SER  14           HA       SER  14   2.110 -11.935  -7.826
 1238    HB2  SER  14           HB2      SER  14   1.767  -9.215  -9.115
 1239    HB3  SER  14           HB3      SER  14   2.066 -10.726  -9.978
 1240    HG   SER  14           HG       SER  14  -0.232  -9.873  -8.590
 1241    H    THR  15           H        THR  15   3.507  -8.665  -7.540
 1242    HA   THR  15           HA       THR  15   6.079  -9.460  -8.494
 1243    HB   THR  15           HB       THR  15   5.506  -7.021  -6.808
 1244    HG1  THR  15           HG1      THR  15   4.051  -6.670  -8.341
 1245   HG21  THR  15          HG21      THR  15   7.275  -6.011  -8.145
 1246   HG22  THR  15          HG22      THR  15   7.433  -7.491  -9.089
 1247   HG23  THR  15          HG23      THR  15   7.863  -7.487  -7.379
 1248    H    PHE  16           H        PHE  16   4.507  -9.238  -5.394
 1249    HA   PHE  16           HA       PHE  16   6.539  -9.518  -3.573
 1250    HB2  PHE  16           HB2      PHE  16   4.188  -9.316  -2.963
 1251    HB3  PHE  16           HB3      PHE  16   3.849 -10.899  -3.643
 1252    HD1  PHE  16           HD2      PHE  16   5.992  -9.295  -1.058
 1253    HD2  PHE  16           HD1      PHE  16   3.718 -12.684  -2.232
 1254    HE1  PHE  16           HE2      PHE  16   6.348 -10.293   1.161
 1255    HE2  PHE  16           HE1      PHE  16   4.063 -13.688  -0.017
 1256    HZ   PHE  16           HZ       PHE  16   5.379 -12.493   1.683
 1257    H    HIS  17           H        HIS  17   4.732 -12.266  -4.958
 1258    HA   HIS  17           HA       HIS  17   6.595 -14.198  -4.026
 1259    HB2  HIS  17           HB2      HIS  17   4.452 -14.412  -6.158
 1260    HB3  HIS  17           HB3      HIS  17   5.355 -15.778  -5.510
 1261    HD1  HIS  17           HD1      HIS  17   5.160 -15.645  -2.609
 1262    HD2  HIS  17           HD2      HIS  17   2.029 -14.322  -5.009
 1263    HE1  HIS  17           HE1      HIS  17   3.108 -15.728  -1.157
 1264    HE2  HIS  17           HE2      HIS  17   1.257 -14.776  -2.577
 1265    H    LYS  18           H        LYS  18   6.468 -12.187  -6.775
 1266    HA   LYS  18           HA       LYS  18   7.916 -13.708  -8.644
 1267    HB2  LYS  18           HB2      LYS  18   6.527 -11.813  -9.258
 1268    HB3  LYS  18           HB3      LYS  18   7.551 -10.726  -8.340
 1269    HG2  LYS  18           HG2      LYS  18   9.390 -11.156  -9.900
 1270    HG3  LYS  18           HG3      LYS  18   8.336 -12.229 -10.829
 1271    HD2  LYS  18           HD2      LYS  18   6.842 -10.407 -11.338
 1272    HD3  LYS  18           HD3      LYS  18   7.733  -9.323 -10.272
 1273    HE2  LYS  18           HE2      LYS  18   9.710  -9.575 -11.738
 1274    HE3  LYS  18           HE3      LYS  18   8.745 -10.569 -12.826
 1275    HZ1  LYS  18           HZ1      LYS  18   7.279  -8.690 -13.206
 1276    HZ2  LYS  18           HZ2      LYS  18   8.879  -8.269 -13.575
 1277    HZ3  LYS  18           HZ3      LYS  18   8.173  -7.728 -12.129
 1278    H    TYR  19           H        TYR  19   8.976 -11.403  -6.145
 1279    HA   TYR  19           HA       TYR  19  11.761 -11.926  -6.981
 1280    HB2  TYR  19           HB2      TYR  19  10.536  -9.537  -5.606
 1281    HB3  TYR  19           HB3      TYR  19  12.275  -9.797  -5.700
 1282    HD1  TYR  19           HD1      TYR  19  13.434  -9.679  -7.853
 1283    HD2  TYR  19           HD2      TYR  19   9.269  -8.890  -7.542
 1284    HE1  TYR  19           HE1      TYR  19  13.462  -8.672 -10.096
 1285    HE2  TYR  19           HE2      TYR  19   9.285  -7.878  -9.779
 1286    HH   TYR  19           HH       TYR  19  10.816  -6.871 -11.346
 1287    H    SER  20           H        SER  20   9.579 -12.659  -4.496
 1288    HA   SER  20           HA       SER  20  11.670 -12.891  -2.487
 1289    HB2  SER  20           HB2      SER  20   9.817 -13.859  -1.075
 1290    HB3  SER  20           HB3      SER  20   9.536 -12.210  -1.633
 1291    HG   SER  20           HG       SER  20   7.989 -12.885  -2.939
 1292    H    GLY  21           H        GLY  21   9.429 -15.069  -4.200
 1293    HA2  GLY  21           HA2      GLY  21  10.870 -17.436  -3.454
 1294    HA3  GLY  21           HA3      GLY  21   9.597 -17.327  -4.666
 1295    H    LYS  22           H        LYS  22  12.872 -16.097  -4.190
 1296    HA   LYS  22           HA       LYS  22  13.598 -16.953  -6.893
 1297    HB2  LYS  22           HB2      LYS  22  12.839 -14.580  -6.826
 1298    HB3  LYS  22           HB3      LYS  22  14.101 -14.248  -5.655
 1299    HG2  LYS  22           HG2      LYS  22  15.797 -14.729  -7.295
 1300    HG3  LYS  22           HG3      LYS  22  14.558 -15.181  -8.469
 1301    HD2  LYS  22           HD2      LYS  22  15.334 -12.904  -8.832
 1302    HD3  LYS  22           HD3      LYS  22  13.635 -12.937  -8.399
 1303    HE2  LYS  22           HE2      LYS  22  14.781 -11.151  -7.242
 1304    HE3  LYS  22           HE3      LYS  22  14.226 -12.363  -6.095
 1305    HZ1  LYS  22           HZ1      LYS  22  16.657 -13.269  -6.545
 1306    HZ2  LYS  22           HZ2      LYS  22  16.332 -12.108  -5.356
 1307    HZ3  LYS  22           HZ3      LYS  22  16.944 -11.627  -6.867
 1308    H    GLU  23           H        GLU  23  14.966 -15.176  -4.114
 1309    HA   GLU  23           HA       GLU  23  17.169 -17.134  -4.009
 1310    HB2  GLU  23           HB2      GLU  23  17.792 -14.734  -4.339
 1311    HB3  GLU  23           HB3      GLU  23  17.030 -14.361  -2.805
 1312    HG2  GLU  23           HG2      GLU  23  18.625 -15.790  -1.652
 1313    HG3  GLU  23           HG3      GLU  23  19.391 -16.182  -3.190
 1314    H    GLY  24           H        GLY  24  14.848 -15.303  -2.035
 1315    HA2  GLY  24           HA2      GLY  24  15.497 -16.954   0.293
 1316    HA3  GLY  24           HA3      GLY  24  14.497 -15.511   0.289
 1317    H    ASP  25           H        ASP  25  12.632 -16.183   1.152
 1318    HA   ASP  25           HA       ASP  25  11.470 -18.730   0.315
 1319    HB2  ASP  25           HB2      ASP  25  10.541 -16.735   2.395
 1320    HB3  ASP  25           HB3      ASP  25   9.766 -18.280   2.059
 1321    H    LYS  26           H        LYS  26   9.240 -18.842  -0.352
 1322    HA   LYS  26           HA       LYS  26   8.742 -17.233  -2.581
 1323    HB2  LYS  26           HB2      LYS  26   7.980 -19.579  -2.142
 1324    HB3  LYS  26           HB3      LYS  26   6.778 -18.928  -1.040
 1325    HG2  LYS  26           HG2      LYS  26   5.711 -19.393  -3.086
 1326    HG3  LYS  26           HG3      LYS  26   5.840 -17.641  -2.947
 1327    HD2  LYS  26           HD2      LYS  26   7.614 -17.558  -4.512
 1328    HD3  LYS  26           HD3      LYS  26   7.835 -19.310  -4.459
 1329    HE2  LYS  26           HE2      LYS  26   5.551 -19.559  -5.402
 1330    HE3  LYS  26           HE3      LYS  26   5.480 -17.805  -5.585
 1331    HZ1  LYS  26           HZ1      LYS  26   6.169 -19.142  -7.598
 1332    HZ2  LYS  26           HZ2      LYS  26   7.642 -19.420  -6.808
 1333    HZ3  LYS  26           HZ3      LYS  26   7.167 -17.838  -7.192
 1334    H    PHE  27           H        PHE  27   8.105 -16.633   0.686
 1335    HA   PHE  27           HA       PHE  27   6.364 -14.339   0.029
 1336    HB2  PHE  27           HB2      PHE  27   5.318 -14.871   2.367
 1337    HB3  PHE  27           HB3      PHE  27   4.785 -15.792   0.962
 1338    HD1  PHE  27           HD1      PHE  27   7.182 -15.915   3.811
 1339    HD2  PHE  27           HD2      PHE  27   4.880 -18.093   0.971
 1340    HE1  PHE  27           HE1      PHE  27   7.801 -18.020   4.925
 1341    HE2  PHE  27           HE2      PHE  27   5.495 -20.197   2.073
 1342    HZ   PHE  27           HZ       PHE  27   6.956 -20.166   4.059
 1343    H    LYS  28           H        LYS  28   9.318 -14.972   0.865
 1344    HA   LYS  28           HA       LYS  28   9.350 -12.837   2.884
 1345    HB2  LYS  28           HB2      LYS  28   9.759 -15.148   3.851
 1346    HB3  LYS  28           HB3      LYS  28  11.245 -15.183   2.914
 1347    HG2  LYS  28           HG2      LYS  28  11.911 -14.503   5.032
 1348    HG3  LYS  28           HG3      LYS  28  11.842 -13.010   4.098
 1349    HD2  LYS  28           HD2      LYS  28  10.811 -12.472   6.132
 1350    HD3  LYS  28           HD3      LYS  28   9.467 -12.754   5.026
 1351    HE2  LYS  28           HE2      LYS  28  10.548 -14.925   6.795
 1352    HE3  LYS  28           HE3      LYS  28   9.330 -13.787   7.362
 1353    HZ1  LYS  28           HZ1      LYS  28   7.781 -14.567   5.806
 1354    HZ2  LYS  28           HZ2      LYS  28   8.506 -15.969   6.437
 1355    HZ3  LYS  28           HZ3      LYS  28   8.958 -15.398   4.910
 1356    H    LEU  29           H        LEU  29  10.380 -11.148   2.095
 1357    HA   LEU  29           HA       LEU  29  12.508 -11.584   0.117
 1358    HB2  LEU  29           HB2      LEU  29  10.934  -9.099   0.798
 1359    HB3  LEU  29           HB3      LEU  29  12.307  -9.112  -0.289
 1360    HG   LEU  29           HG       LEU  29  10.836 -10.958  -1.520
 1361   HD11  LEU  29          HD11      LEU  29   8.461 -10.179  -1.475
 1362   HD12  LEU  29          HD12      LEU  29   9.002 -11.023  -0.019
 1363   HD13  LEU  29          HD13      LEU  29   8.865  -9.267  -0.023
 1364   HD21  LEU  29          HD21      LEU  29  11.690  -8.911  -2.521
 1365   HD22  LEU  29          HD22      LEU  29  10.008  -9.180  -2.979
 1366   HD23  LEU  29          HD23      LEU  29  10.406  -7.983  -1.747
 1367    H    ASN  30           H        ASN  30  14.525 -11.517   0.857
 1368    HA   ASN  30           HA       ASN  30  15.120 -10.026   3.284
 1369    HB2  ASN  30           HB2      ASN  30  17.162 -11.145   3.372
 1370    HB3  ASN  30           HB3      ASN  30  16.139 -12.342   2.589
 1371   HD21  ASN  30          HD21      ASN  30  16.471 -12.812   0.401
 1372   HD22  ASN  30          HD22      ASN  30  17.891 -12.283  -0.436
 1373    H    LYS  31           H        LYS  31  17.571  -8.968   2.849
 1374    HA   LYS  31           HA       LYS  31  17.139  -6.496   1.787
 1375    HB2  LYS  31           HB2      LYS  31  19.776  -7.976   1.745
 1376    HB3  LYS  31           HB3      LYS  31  19.569  -6.233   1.667
 1377    HG2  LYS  31           HG2      LYS  31  18.674  -6.206   3.912
 1378    HG3  LYS  31           HG3      LYS  31  18.775  -7.968   3.993
 1379    HD2  LYS  31           HD2      LYS  31  21.211  -7.828   3.721
 1380    HD3  LYS  31           HD3      LYS  31  21.096  -6.068   3.661
 1381    HE2  LYS  31           HE2      LYS  31  20.267  -5.997   5.917
 1382    HE3  LYS  31           HE3      LYS  31  20.187  -7.756   5.985
 1383    HZ1  LYS  31           HZ1      LYS  31  22.693  -6.197   5.637
 1384    HZ2  LYS  31           HZ2      LYS  31  22.568  -7.874   5.834
 1385    HZ3  LYS  31           HZ3      LYS  31  22.152  -6.837   7.110
 1386    H    SER  32           H        SER  32  18.681  -9.234   0.084
 1387    HA   SER  32           HA       SER  32  19.192  -7.760  -2.283
 1388    HB2  SER  32           HB2      SER  32  19.654 -10.064  -3.234
 1389    HB3  SER  32           HB3      SER  32  20.577  -9.637  -1.791
 1390    HG   SER  32           HG       SER  32  19.544 -11.790  -1.826
 1391    H    GLU  33           H        GLU  33  16.507  -9.724  -1.216
 1392    HA   GLU  33           HA       GLU  33  15.324 -10.091  -3.780
 1393    HB2  GLU  33           HB2      GLU  33  14.032 -10.194  -1.048
 1394    HB3  GLU  33           HB3      GLU  33  13.345 -10.829  -2.537
 1395    HG2  GLU  33           HG2      GLU  33  15.855 -11.797  -1.190
 1396    HG3  GLU  33           HG3      GLU  33  14.283 -12.596  -1.168
 1397    H    LEU  34           H        LEU  34  14.761  -7.882  -1.089
 1398    HA   LEU  34           HA       LEU  34  12.709  -6.407  -2.334
 1399    HB2  LEU  34           HB2      LEU  34  14.504  -6.008  -0.007
 1400    HB3  LEU  34           HB3      LEU  34  13.703  -4.593  -0.663
 1401    HG   LEU  34           HG       LEU  34  12.237  -7.075   0.214
 1402   HD11  LEU  34          HD11      LEU  34  11.605  -5.761   2.192
 1403   HD12  LEU  34          HD12      LEU  34  13.339  -6.080   2.131
 1404   HD13  LEU  34          HD13      LEU  34  12.719  -4.491   1.687
 1405   HD21  LEU  34          HD21      LEU  34  11.045  -5.769  -1.425
 1406   HD22  LEU  34          HD22      LEU  34  10.300  -5.548   0.159
 1407   HD23  LEU  34          HD23      LEU  34  11.343  -4.288  -0.512
 1408    H    LYS  35           H        LYS  35  16.232  -6.041  -2.309
 1409    HA   LYS  35           HA       LYS  35  16.295  -3.553  -3.572
 1410    HB2  LYS  35           HB2      LYS  35  18.273  -4.834  -2.543
 1411    HB3  LYS  35           HB3      LYS  35  18.388  -5.646  -4.104
 1412    HG2  LYS  35           HG2      LYS  35  18.731  -3.553  -5.233
 1413    HG3  LYS  35           HG3      LYS  35  18.446  -2.657  -3.742
 1414    HD2  LYS  35           HD2      LYS  35  20.787  -2.697  -4.075
 1415    HD3  LYS  35           HD3      LYS  35  20.448  -3.850  -2.782
 1416    HE2  LYS  35           HE2      LYS  35  20.650  -5.695  -4.293
 1417    HE3  LYS  35           HE3      LYS  35  20.760  -4.603  -5.672
 1418    HZ1  LYS  35           HZ1      LYS  35  22.868  -3.839  -4.949
 1419    HZ2  LYS  35           HZ2      LYS  35  22.921  -5.532  -4.914
 1420    HZ3  LYS  35           HZ3      LYS  35  22.748  -4.655  -3.471
 1421    H    GLU  36           H        GLU  36  16.488  -6.820  -5.037
 1422    HA   GLU  36           HA       GLU  36  16.469  -5.950  -7.690
 1423    HB2  GLU  36           HB2      GLU  36  16.028  -8.463  -6.319
 1424    HB3  GLU  36           HB3      GLU  36  14.967  -8.283  -7.712
 1425    HG2  GLU  36           HG2      GLU  36  16.930  -7.783  -9.108
 1426    HG3  GLU  36           HG3      GLU  36  17.967  -8.070  -7.713
 1427    H    LEU  37           H        LEU  37  13.779  -6.662  -5.512
 1428    HA   LEU  37           HA       LEU  37  11.593  -6.269  -7.131
 1429    HB2  LEU  37           HB2      LEU  37  11.680  -6.814  -4.643
 1430    HB3  LEU  37           HB3      LEU  37  11.870  -5.090  -4.372
 1431    HG   LEU  37           HG       LEU  37   9.643  -4.978  -5.800
 1432   HD11  LEU  37          HD11      LEU  37   9.586  -7.389  -6.232
 1433   HD12  LEU  37          HD12      LEU  37   9.488  -7.695  -4.495
 1434   HD13  LEU  37          HD13      LEU  37   8.175  -6.850  -5.322
 1435   HD21  LEU  37          HD21      LEU  37   9.937  -4.121  -3.539
 1436   HD22  LEU  37          HD22      LEU  37   8.399  -4.969  -3.697
 1437   HD23  LEU  37          HD23      LEU  37   9.758  -5.750  -2.888
 1438    H    LEU  38           H        LEU  38  13.232  -3.770  -5.209
 1439    HA   LEU  38           HA       LEU  38  11.764  -1.638  -6.355
 1440    HB2  LEU  38           HB2      LEU  38  14.174  -1.781  -4.583
 1441    HB3  LEU  38           HB3      LEU  38  13.614  -0.245  -5.221
 1442    HG   LEU  38           HG       LEU  38  11.340  -1.472  -4.117
 1443   HD11  LEU  38          HD11      LEU  38  12.025  -1.874  -1.796
 1444   HD12  LEU  38          HD12      LEU  38  12.734  -3.042  -2.917
 1445   HD13  LEU  38          HD13      LEU  38  13.714  -1.720  -2.282
 1446   HD21  LEU  38          HD21      LEU  38  11.463   0.377  -2.525
 1447   HD22  LEU  38          HD22      LEU  38  13.132   0.683  -3.004
 1448   HD23  LEU  38          HD23      LEU  38  11.824   0.915  -4.166
 1449    H    THR  39           H        THR  39  15.000  -2.956  -7.050
 1450    HA   THR  39           HA       THR  39  15.847  -0.868  -8.736
 1451    HB   THR  39           HB       THR  39  17.406  -2.500  -9.754
 1452    HG1  THR  39           HG1      THR  39  15.631  -4.281  -8.639
 1453   HG21  THR  39          HG21      THR  39  18.651  -3.029  -7.741
 1454   HG22  THR  39          HG22      THR  39  17.219  -2.720  -6.762
 1455   HG23  THR  39          HG23      THR  39  17.985  -1.398  -7.648
 1456    H    ARG  40           H        ARG  40  13.670  -3.497  -9.277
 1457    HA   ARG  40           HA       ARG  40  13.862  -3.277 -12.162
 1458    HB2  ARG  40           HB2      ARG  40  12.396  -5.122 -10.302
 1459    HB3  ARG  40           HB3      ARG  40  12.126  -5.143 -12.042
 1460    HG2  ARG  40           HG2      ARG  40  14.756  -5.630 -10.653
 1461    HG3  ARG  40           HG3      ARG  40  13.705  -6.865 -11.350
 1462    HD2  ARG  40           HD2      ARG  40  15.136  -4.653 -12.809
 1463    HD3  ARG  40           HD3      ARG  40  15.482  -6.380 -12.892
 1464    HE   ARG  40           HE       ARG  40  12.811  -5.991 -13.637
 1465   HH11  ARG  40          HH12      ARG  40  16.028  -5.300 -14.850
 1466   HH12  ARG  40          HH11      ARG  40  15.524  -5.271 -16.514
 1467   HH21  ARG  40          HH22      ARG  40  12.152  -5.947 -15.791
 1468   HH22  ARG  40          HH21      ARG  40  13.303  -5.629 -17.056
 1469    H    GLU  41           H        GLU  41  11.107  -3.309  -9.864
 1470    HA   GLU  41           HA       GLU  41   9.639  -1.779 -11.875
 1471    HB2  GLU  41           HB2      GLU  41   8.781  -3.693  -9.765
 1472    HB3  GLU  41           HB3      GLU  41   7.649  -2.450 -10.284
 1473    HG2  GLU  41           HG2      GLU  41   7.070  -3.819 -11.939
 1474    HG3  GLU  41           HG3      GLU  41   8.637  -3.451 -12.653
 1475    H    LEU  42           H        LEU  42  11.225  -1.157  -8.960
 1476    HA   LEU  42           HA       LEU  42   9.545   1.257  -8.628
 1477    HB2  LEU  42           HB2      LEU  42  11.127  -0.178  -6.498
 1478    HB3  LEU  42           HB3      LEU  42  10.268   1.329  -6.270
 1479    HG   LEU  42           HG       LEU  42   8.188  -0.088  -7.018
 1480   HD11  LEU  42          HD11      LEU  42   9.353  -2.093  -7.620
 1481   HD12  LEU  42          HD12      LEU  42  10.099  -2.186  -6.021
 1482   HD13  LEU  42          HD13      LEU  42   8.355  -2.402  -6.198
 1483   HD21  LEU  42          HD21      LEU  42   9.477  -0.329  -4.303
 1484   HD22  LEU  42          HD22      LEU  42   8.443   0.989  -4.857
 1485   HD23  LEU  42          HD23      LEU  42   7.777  -0.633  -4.665
 1486    HA   PRO  43           HA       PRO  43  14.259   2.054  -9.258
 1487    HB2  PRO  43           HB2      PRO  43  13.710   3.191 -11.885
 1488    HB3  PRO  43           HB3      PRO  43  14.850   1.919 -11.444
 1489    HG2  PRO  43           HG2      PRO  43  12.616   1.428 -12.887
 1490    HG3  PRO  43           HG3      PRO  43  13.306   0.246 -11.761
 1491    HD2  PRO  43           HD2      PRO  43  10.976   2.086 -11.382
 1492    HD3  PRO  43           HD3      PRO  43  11.156   0.383 -10.906
 1493    H    SER  44           H        SER  44  11.395   3.834  -9.991
 1494    HA   SER  44           HA       SER  44  12.520   6.442  -9.966
 1495    HB2  SER  44           HB2      SER  44   9.991   6.981  -9.538
 1496    HB3  SER  44           HB3      SER  44  10.489   6.306 -11.091
 1497    HG   SER  44           HG       SER  44   9.134   4.758 -10.670
 1498    H    PHE  45           H        PHE  45  10.677   4.539  -7.612
 1499    HA   PHE  45           HA       PHE  45  10.716   6.524  -5.561
 1500    HB2  PHE  45           HB2      PHE  45  10.224   3.595  -5.068
 1501    HB3  PHE  45           HB3      PHE  45   9.498   4.986  -4.276
 1502    HD1  PHE  45           HD2      PHE  45   7.875   6.412  -5.637
 1503    HD2  PHE  45           HD1      PHE  45   9.186   2.547  -6.832
 1504    HE1  PHE  45           HE2      PHE  45   5.938   6.219  -7.143
 1505    HE2  PHE  45           HE1      PHE  45   7.258   2.348  -8.335
 1506    HZ   PHE  45           HZ       PHE  45   5.631   4.181  -8.492
 1507    H    LEU  46           H        LEU  46  13.381   5.548  -6.595
 1508    HA   LEU  46           HA       LEU  46  14.438   4.702  -3.997
 1509    HB2  LEU  46           HB2      LEU  46  15.938   4.908  -6.614
 1510    HB3  LEU  46           HB3      LEU  46  16.522   4.200  -5.121
 1511    HG   LEU  46           HG       LEU  46  14.499   3.115  -7.049
 1512   HD11  LEU  46          HD11      LEU  46  16.956   1.956  -5.756
 1513   HD12  LEU  46          HD12      LEU  46  15.887   1.103  -6.870
 1514   HD13  LEU  46          HD13      LEU  46  16.800   2.508  -7.423
 1515   HD21  LEU  46          HD21      LEU  46  14.772   2.406  -4.132
 1516   HD22  LEU  46          HD22      LEU  46  13.326   2.847  -5.035
 1517   HD23  LEU  46          HD23      LEU  46  14.103   1.294  -5.330
 1518    H    GLY  47           H        GLY  47  14.074   7.367  -6.081
 1519    HA2  GLY  47           HA2      GLY  47  14.513   9.600  -5.786
 1520    HA3  GLY  47           HA3      GLY  47  15.015   9.222  -4.151
 1521    H    LYS  48           H        LYS  48  17.108   7.445  -4.871
 1522    HA   LYS  48           HA       LYS  48  18.882   9.042  -6.564
 1523    HB2  LYS  48           HB2      LYS  48  20.710   8.084  -4.867
 1524    HB3  LYS  48           HB3      LYS  48  19.923   9.635  -4.622
 1525    HG2  LYS  48           HG2      LYS  48  18.574   8.828  -2.918
 1526    HG3  LYS  48           HG3      LYS  48  18.781   7.151  -3.407
 1527    HD2  LYS  48           HD2      LYS  48  20.063   7.444  -1.431
 1528    HD3  LYS  48           HD3      LYS  48  21.211   7.384  -2.768
 1529    HE2  LYS  48           HE2      LYS  48  21.903   9.156  -1.348
 1530    HE3  LYS  48           HE3      LYS  48  21.177   9.898  -2.773
 1531    HZ1  LYS  48           HZ1      LYS  48  19.842   9.510  -0.146
 1532    HZ2  LYS  48           HZ2      LYS  48  19.134  10.222  -1.514
 1533    HZ3  LYS  48           HZ3      LYS  48  20.438  10.981  -0.745
 1534    H    ARG  49           H        ARG  49  19.311   6.073  -4.700
 1535    HA   ARG  49           HA       ARG  49  18.841   4.178  -6.641
 1536    HB2  ARG  49           HB2      ARG  49  20.716   5.290  -7.864
 1537    HB3  ARG  49           HB3      ARG  49  21.776   4.931  -6.509
 1538    HG2  ARG  49           HG2      ARG  49  22.044   3.366  -8.387
 1539    HG3  ARG  49           HG3      ARG  49  21.553   2.566  -6.893
 1540    HD2  ARG  49           HD2      ARG  49  20.332   1.695  -8.827
 1541    HD3  ARG  49           HD3      ARG  49  19.253   2.476  -7.672
 1542    HE   ARG  49           HE       ARG  49  19.839   4.445  -9.467
 1543   HH11  ARG  49          HH12      ARG  49  18.643   1.170  -9.786
 1544   HH12  ARG  49          HH11      ARG  49  17.602   1.543 -11.133
 1545   HH21  ARG  49          HH22      ARG  49  18.510   4.946 -11.241
 1546   HH22  ARG  49          HH21      ARG  49  17.518   3.701 -11.961
 1547    H    THR  50           H        THR  50  19.030   2.160  -5.731
 1548    HA   THR  50           HA       THR  50  19.478   1.930  -2.969
 1549    HB   THR  50           HB       THR  50  19.567  -0.594  -3.625
 1550    HG1  THR  50           HG1      THR  50  19.762  -0.662  -5.778
 1551   HG21  THR  50          HG21      THR  50  17.672   0.492  -2.529
 1552   HG22  THR  50          HG22      THR  50  17.117  -0.631  -3.771
 1553   HG23  THR  50          HG23      THR  50  17.113   1.104  -4.086
 1554    H    ASP  51           H        ASP  51  21.241   1.459  -1.813
 1555    HA   ASP  51           HA       ASP  51  23.694   0.680  -3.247
 1556    HB2  ASP  51           HB2      ASP  51  23.522   3.124  -2.332
 1557    HB3  ASP  51           HB3      ASP  51  23.761   2.366  -0.761
 1558    H    GLU  52           H        GLU  52  25.340  -0.227  -1.631
 1559    HA   GLU  52           HA       GLU  52  24.036  -2.449  -0.354
 1560    HB2  GLU  52           HB2      GLU  52  26.974  -1.732  -0.439
 1561    HB3  GLU  52           HB3      GLU  52  26.300  -3.285   0.037
 1562    HG2  GLU  52           HG2      GLU  52  26.124  -2.038  -2.698
 1563    HG3  GLU  52           HG3      GLU  52  27.179  -3.369  -2.222
 1564    H    ALA  53           H        ALA  53  26.123   0.219   0.714
 1565    HA   ALA  53           HA       ALA  53  26.033  -0.471   3.469
 1566    HB1  ALA  53           HB1      ALA  53  27.035   1.727   3.850
 1567    HB2  ALA  53           HB2      ALA  53  27.844   0.871   2.536
 1568    HB3  ALA  53           HB3      ALA  53  26.704   2.169   2.175
 1569    H    ALA  54           H        ALA  54  23.847   1.087   1.386
 1570    HA   ALA  54           HA       ALA  54  22.424   2.480   3.505
 1571    HB1  ALA  54           HB1      ALA  54  21.770   2.165   0.582
 1572    HB2  ALA  54           HB2      ALA  54  20.931   3.220   1.720
 1573    HB3  ALA  54           HB3      ALA  54  22.619   3.532   1.307
 1574    H    PHE  55           H        PHE  55  22.074  -0.355   1.437
 1575    HA   PHE  55           HA       PHE  55  19.360  -0.827   2.101
 1576    HB2  PHE  55           HB2      PHE  55  20.952  -1.786   0.155
 1577    HB3  PHE  55           HB3      PHE  55  20.987  -3.152   1.272
 1578    HD1  PHE  55           HD1      PHE  55  18.621  -3.843   2.222
 1579    HD2  PHE  55           HD2      PHE  55  19.265  -1.686  -1.386
 1580    HE1  PHE  55           HE1      PHE  55  16.401  -4.531   1.423
 1581    HE2  PHE  55           HE2      PHE  55  17.052  -2.376  -2.196
 1582    HZ   PHE  55           HZ       PHE  55  15.612  -3.793  -0.787
 1583    H    GLN  56           H        GLN  56  22.367  -1.736   3.629
 1584    HA   GLN  56           HA       GLN  56  21.407  -3.795   5.273
 1585    HB2  GLN  56           HB2      GLN  56  23.287  -3.376   6.705
 1586    HB3  GLN  56           HB3      GLN  56  23.811  -3.138   5.044
 1587    HG2  GLN  56           HG2      GLN  56  23.534  -0.696   5.362
 1588    HG3  GLN  56           HG3      GLN  56  23.160  -1.001   7.058
 1589   HE21  GLN  56          HE21      GLN  56  24.795  -1.758   8.429
 1590   HE22  GLN  56          HE22      GLN  56  26.472  -1.615   8.008
 1591    H    LYS  57           H        LYS  57  21.078  -0.339   5.416
 1592    HA   LYS  57           HA       LYS  57  19.719  -0.379   7.975
 1593    HB2  LYS  57           HB2      LYS  57  20.047   1.847   5.947
 1594    HB3  LYS  57           HB3      LYS  57  19.399   2.031   7.571
 1595    HG2  LYS  57           HG2      LYS  57  21.524   1.485   8.541
 1596    HG3  LYS  57           HG3      LYS  57  22.192   1.097   6.955
 1597    HD2  LYS  57           HD2      LYS  57  21.904   3.414   6.252
 1598    HD3  LYS  57           HD3      LYS  57  21.191   3.811   7.817
 1599    HE2  LYS  57           HE2      LYS  57  23.975   2.713   7.471
 1600    HE3  LYS  57           HE3      LYS  57  23.606   4.436   7.556
 1601    HZ1  LYS  57           HZ1      LYS  57  22.898   2.481   9.684
 1602    HZ2  LYS  57           HZ2      LYS  57  22.778   4.173   9.762
 1603    HZ3  LYS  57           HZ3      LYS  57  24.302   3.433   9.694
 1604    H    LEU  58           H        LEU  58  18.979  -0.057   4.548
 1605    HA   LEU  58           HA       LEU  58  16.320   0.725   4.694
 1606    HB2  LEU  58           HB2      LEU  58  17.577   0.762   2.615
 1607    HB3  LEU  58           HB3      LEU  58  17.655  -0.994   2.608
 1608    HG   LEU  58           HG       LEU  58  15.195  -1.087   2.407
 1609   HD11  LEU  58          HD11      LEU  58  13.892   0.837   2.094
 1610   HD12  LEU  58          HD12      LEU  58  14.889   1.157   3.508
 1611   HD13  LEU  58          HD13      LEU  58  15.308   1.879   1.949
 1612   HD21  LEU  58          HD21      LEU  58  16.651  -1.094   0.396
 1613   HD22  LEU  58          HD22      LEU  58  15.036  -0.436   0.110
 1614   HD23  LEU  58          HD23      LEU  58  16.421   0.650   0.275
 1615    H    MET  59           H        MET  59  17.537  -2.583   4.247
 1616    HA   MET  59           HA       MET  59  15.207  -3.994   4.196
 1617    HB2  MET  59           HB2      MET  59  16.983  -5.369   3.889
 1618    HB3  MET  59           HB3      MET  59  17.965  -4.549   5.087
 1619    HG2  MET  59           HG2      MET  59  17.453  -6.906   5.624
 1620    HG3  MET  59           HG3      MET  59  16.951  -5.766   6.866
 1621    HE1  MET  59           HE1      MET  59  14.645  -6.080   3.613
 1622    HE2  MET  59           HE2      MET  59  15.774  -7.443   3.627
 1623    HE3  MET  59           HE3      MET  59  14.045  -7.721   3.890
 1624    H    SER  60           H        SER  60  16.973  -3.143   7.159
 1625    HA   SER  60           HA       SER  60  14.839  -4.260   8.749
 1626    HB2  SER  60           HB2      SER  60  17.188  -4.669   9.310
 1627    HB3  SER  60           HB3      SER  60  17.424  -2.941   9.582
 1628    HG   SER  60           HG       SER  60  15.450  -3.394  11.084
 1629    H    ASN  61           H        ASN  61  15.336  -1.389   7.237
 1630    HA   ASN  61           HA       ASN  61  14.158   0.369   9.202
 1631    HB2  ASN  61           HB2      ASN  61  15.663   0.886   7.054
 1632    HB3  ASN  61           HB3      ASN  61  14.072   1.029   6.312
 1633   HD21  ASN  61          HD21      ASN  61  14.528   3.231   5.991
 1634   HD22  ASN  61          HD22      ASN  61  14.359   4.373   7.278
 1635    H    LEU  62           H        LEU  62  13.219  -1.814   6.729
 1636    HA   LEU  62           HA       LEU  62  10.387  -1.243   7.078
 1637    HB2  LEU  62           HB2      LEU  62  11.972  -3.209   5.445
 1638    HB3  LEU  62           HB3      LEU  62  10.261  -3.468   5.716
 1639    HG   LEU  62           HG       LEU  62  10.560  -2.457   3.581
 1640   HD11  LEU  62          HD11      LEU  62   8.614  -1.770   4.877
 1641   HD12  LEU  62          HD12      LEU  62   9.537  -0.412   5.541
 1642   HD13  LEU  62          HD13      LEU  62   9.172  -0.480   3.814
 1643   HD21  LEU  62          HD21      LEU  62  12.736  -1.447   3.888
 1644   HD22  LEU  62          HD22      LEU  62  11.583  -0.256   3.287
 1645   HD23  LEU  62          HD23      LEU  62  12.048  -0.251   4.989
 1646    H    ASP  63           H        ASP  63  12.364  -4.162   7.279
 1647    HA   ASP  63           HA       ASP  63  10.602  -5.690   8.782
 1648    HB2  ASP  63           HB2      ASP  63  12.432  -6.656   7.510
 1649    HB3  ASP  63           HB3      ASP  63  13.613  -5.866   8.546
 1650    H    SER  64           H        SER  64   9.800  -5.084  10.661
 1651    HA   SER  64           HA       SER  64  11.325  -3.589  12.590
 1652    HB2  SER  64           HB2      SER  64   8.596  -4.867  12.862
 1653    HB3  SER  64           HB3      SER  64   9.283  -3.623  13.911
 1654    HG   SER  64           HG       SER  64   8.552  -3.401  11.172
 1655    H    ASN  65           H        ASN  65  10.723  -6.903  11.941
 1656    HA   ASN  65           HA       ASN  65  11.266  -7.874  14.593
 1657    HB2  ASN  65           HB2      ASN  65   9.955  -9.203  12.988
 1658    HB3  ASN  65           HB3      ASN  65  11.339  -9.280  11.907
 1659   HD21  ASN  65          HD21      ASN  65  11.459 -11.477  11.911
 1660   HD22  ASN  65          HD22      ASN  65  11.954 -12.407  13.291
 1661    H    ARG  66           H        ARG  66  13.042  -6.800  11.893
 1662    HA   ARG  66           HA       ARG  66  15.239  -6.491  11.455
 1663    HB2  ARG  66           HB2      ARG  66  15.653  -6.953  14.412
 1664    HB3  ARG  66           HB3      ARG  66  16.755  -6.138  13.312
 1665    HG2  ARG  66           HG2      ARG  66  14.835  -4.489  12.918
 1666    HG3  ARG  66           HG3      ARG  66  14.119  -5.191  14.371
 1667    HD2  ARG  66           HD2      ARG  66  15.366  -3.248  15.008
 1668    HD3  ARG  66           HD3      ARG  66  16.232  -4.674  15.581
 1669    HE   ARG  66           HE       ARG  66  17.703  -4.392  13.600
 1670   HH11  ARG  66          HH12      ARG  66  15.896  -1.653  14.843
 1671   HH12  ARG  66          HH11      ARG  66  16.946  -0.471  14.109
 1672   HH21  ARG  66          HH22      ARG  66  19.088  -2.840  12.663
 1673   HH22  ARG  66          HH21      ARG  66  18.763  -1.149  12.893
 1674    H    ASP  67           H        ASP  67  14.382  -8.928  10.791
 1675    HA   ASP  67           HA       ASP  67  16.459 -10.782  11.786
 1676    HB2  ASP  67           HB2      ASP  67  13.836 -11.258  11.904
 1677    HB3  ASP  67           HB3      ASP  67  14.106 -11.772  10.240
 1678    H    ASN  68           H        ASN  68  15.692  -8.737   9.397
 1679    HA   ASN  68           HA       ASN  68  16.796  -8.211   7.479
 1680    HB2  ASN  68           HB2      ASN  68  18.257 -10.793   8.011
 1681    HB3  ASN  68           HB3      ASN  68  18.525  -9.852   6.550
 1682   HD21  ASN  68          HD21      ASN  68  17.835  -8.390   9.650
 1683   HD22  ASN  68          HD22      ASN  68  19.409  -7.710   9.898
 1684    H    GLU  69           H        GLU  69  14.294  -9.565   7.706
 1685    HA   GLU  69           HA       GLU  69  13.962 -10.352   4.965
 1686    HB2  GLU  69           HB2      GLU  69  12.850 -12.530   5.589
 1687    HB3  GLU  69           HB3      GLU  69  14.598 -12.501   5.753
 1688    HG2  GLU  69           HG2      GLU  69  14.384 -12.196   8.155
 1689    HG3  GLU  69           HG3      GLU  69  12.626 -12.177   8.004
 1690    H    VAL  70           H        VAL  70  12.168  -9.447   4.312
 1691    HA   VAL  70           HA       VAL  70  10.285  -8.437   6.288
 1692    HB   VAL  70           HB       VAL  70  10.875  -7.792   3.423
 1693   HG11  VAL  70          HG11      VAL  70   8.401  -6.909   4.901
 1694   HG12  VAL  70          HG12      VAL  70   8.945  -6.297   3.339
 1695   HG13  VAL  70          HG13      VAL  70   8.442  -7.981   3.501
 1696   HG21  VAL  70          HG21      VAL  70  10.514  -6.060   5.861
 1697   HG22  VAL  70          HG22      VAL  70  12.066  -6.683   5.289
 1698   HG23  VAL  70          HG23      VAL  70  11.141  -5.562   4.288
 1699    H    ASP  71           H        ASP  71   8.331  -9.229   6.632
 1700    HA   ASP  71           HA       ASP  71   7.344 -11.369   4.891
 1701    HB2  ASP  71           HB2      ASP  71   7.591 -11.585   7.487
 1702    HB3  ASP  71           HB3      ASP  71   6.083 -10.670   7.527
 1703    H    PHE  72           H        PHE  72   4.604 -11.219   5.473
 1704    HA   PHE  72           HA       PHE  72   4.004  -9.761   3.189
 1705    HB2  PHE  72           HB2      PHE  72   2.772 -11.742   4.348
 1706    HB3  PHE  72           HB3      PHE  72   1.834 -10.460   5.112
 1707    HD1  PHE  72           HD2      PHE  72   2.703  -9.036   2.138
 1708    HD2  PHE  72           HD1      PHE  72   0.256 -12.178   3.641
 1709    HE1  PHE  72           HE2      PHE  72   1.315  -8.898   0.121
 1710    HE2  PHE  72           HE1      PHE  72  -1.142 -12.047   1.625
 1711    HZ   PHE  72           HZ       PHE  72  -0.615 -10.409  -0.135
 1712    H    GLN  73           H        GLN  73   2.826  -8.913   6.520
 1713    HA   GLN  73           HA       GLN  73   1.593  -6.527   5.597
 1714    HB2  GLN  73           HB2      GLN  73   1.249  -7.760   7.876
 1715    HB3  GLN  73           HB3      GLN  73   2.580  -6.757   8.425
 1716    HG2  GLN  73           HG2      GLN  73   1.332  -4.753   7.757
 1717    HG3  GLN  73           HG3      GLN  73  -0.031  -5.784   7.320
 1718   HE21  GLN  73          HE21      GLN  73   1.820  -4.418   9.923
 1719   HE22  GLN  73          HE22      GLN  73   0.732  -4.871  11.190
 1720    H    GLU  74           H        GLU  74   4.810  -7.222   6.857
 1721    HA   GLU  74           HA       GLU  74   5.720  -4.559   7.046
 1722    HB2  GLU  74           HB2      GLU  74   6.758  -6.846   7.857
 1723    HB3  GLU  74           HB3      GLU  74   7.557  -6.801   6.292
 1724    HG2  GLU  74           HG2      GLU  74   9.065  -5.862   7.826
 1725    HG3  GLU  74           HG3      GLU  74   8.391  -4.508   6.915
 1726    H    TYR  75           H        TYR  75   5.551  -6.874   4.436
 1727    HA   TYR  75           HA       TYR  75   7.056  -5.441   2.519
 1728    HB2  TYR  75           HB2      TYR  75   6.581  -7.829   2.285
 1729    HB3  TYR  75           HB3      TYR  75   4.855  -7.500   2.170
 1730    HD1  TYR  75           HD1      TYR  75   4.037  -6.163   0.132
 1731    HD2  TYR  75           HD2      TYR  75   7.926  -7.893   0.395
 1732    HE1  TYR  75           HE1      TYR  75   4.251  -6.013  -2.308
 1733    HE2  TYR  75           HE2      TYR  75   8.155  -7.726  -2.055
 1734    HH   TYR  75           HH       TYR  75   6.773  -7.567  -4.029
 1735    H    CYS  76           H        CYS  76   3.638  -5.440   3.394
 1736    HA   CYS  76           HA       CYS  76   2.978  -3.761   1.160
 1737    HB2  CYS  76           HB2      CYS  76   1.230  -4.632   3.473
 1738    HB3  CYS  76           HB3      CYS  76   0.681  -3.954   1.940
 1739    HG   CYS  76           HG       CYS  76   2.292  -6.960   2.264
 1740    H    VAL  77           H        VAL  77   3.395  -3.349   4.671
 1741    HA   VAL  77           HA       VAL  77   2.471  -0.667   4.759
 1742    HB   VAL  77           HB       VAL  77   2.831  -1.992   6.818
 1743   HG11  VAL  77          HG11      VAL  77   5.130  -2.265   7.681
 1744   HG12  VAL  77          HG12      VAL  77   4.795  -3.198   6.218
 1745   HG13  VAL  77          HG13      VAL  77   5.734  -1.707   6.115
 1746   HG21  VAL  77          HG21      VAL  77   2.783   0.445   7.037
 1747   HG22  VAL  77          HG22      VAL  77   3.902  -0.267   8.200
 1748   HG23  VAL  77          HG23      VAL  77   4.524   0.516   6.749
 1749    H    PHE  78           H        PHE  78   5.489  -2.175   3.918
 1750    HA   PHE  78           HA       PHE  78   7.162  -0.048   3.413
 1751    HB2  PHE  78           HB2      PHE  78   8.011  -2.204   3.056
 1752    HB3  PHE  78           HB3      PHE  78   6.647  -2.679   2.057
 1753    HD1  PHE  78           HD1      PHE  78   6.557  -2.092  -0.296
 1754    HD2  PHE  78           HD2      PHE  78   9.870  -1.011   2.154
 1755    HE1  PHE  78           HE1      PHE  78   7.892  -1.649  -2.314
 1756    HE2  PHE  78           HE2      PHE  78  11.218  -0.558   0.144
 1757    HZ   PHE  78           HZ       PHE  78  10.228  -0.880  -2.094
 1758    H    LEU  79           H        LEU  79   4.567  -1.350   1.437
 1759    HA   LEU  79           HA       LEU  79   4.948   0.392  -0.753
 1760    HB2  LEU  79           HB2      LEU  79   2.839  -1.517   0.109
 1761    HB3  LEU  79           HB3      LEU  79   2.493  -0.396  -1.197
 1762    HG   LEU  79           HG       LEU  79   5.002  -1.582  -1.751
 1763   HD11  LEU  79          HD11      LEU  79   2.842  -3.571  -1.082
 1764   HD12  LEU  79          HD12      LEU  79   4.352  -3.931  -1.919
 1765   HD13  LEU  79          HD13      LEU  79   4.382  -3.385  -0.243
 1766   HD21  LEU  79          HD21      LEU  79   3.094  -0.633  -3.146
 1767   HD22  LEU  79          HD22      LEU  79   3.982  -2.045  -3.769
 1768   HD23  LEU  79          HD23      LEU  79   2.383  -2.256  -3.024
 1769    H    SER  80           H        SER  80   2.535   0.308   1.831
 1770    HA   SER  80           HA       SER  80   1.180   2.631   1.013
 1771    HB2  SER  80           HB2      SER  80   0.481   2.611   3.513
 1772    HB3  SER  80           HB3      SER  80   0.004   1.279   2.464
 1773    HG   SER  80           HG       SER  80   0.908   0.114   3.963
 1774    H    CYS  81           H        CYS  81   4.012   2.059   2.935
 1775    HA   CYS  81           HA       CYS  81   4.483   4.621   3.888
 1776    HB2  CYS  81           HB2      CYS  81   6.041   3.081   4.648
 1777    HB3  CYS  81           HB3      CYS  81   6.260   2.362   3.052
 1778    HG   CYS  81           HG       CYS  81   8.118   3.962   2.166
 1779    H    ILE  82           H        ILE  82   5.624   3.158   0.820
 1780    HA   ILE  82           HA       ILE  82   6.828   5.477  -0.146
 1781    HB   ILE  82           HB       ILE  82   5.551   3.329  -1.858
 1782   HG12  ILE  82          HG12      ILE  82   8.209   3.512  -0.453
 1783   HG13  ILE  82          HG13      ILE  82   7.080   2.161  -0.514
 1784   HG21  ILE  82          HG21      ILE  82   7.755   5.322  -2.423
 1785   HG22  ILE  82          HG22      ILE  82   7.169   4.083  -3.534
 1786   HG23  ILE  82          HG23      ILE  82   6.104   5.401  -3.045
 1787   HD11  ILE  82          HD11      ILE  82   8.817   3.158  -2.762
 1788   HD12  ILE  82          HD12      ILE  82   9.033   1.673  -1.835
 1789   HD13  ILE  82          HD13      ILE  82   7.632   1.847  -2.896
 1790    H    ALA  83           H        ALA  83   3.528   4.277  -0.671
 1791    HA   ALA  83           HA       ALA  83   2.731   6.305  -2.445
 1792    HB1  ALA  83           HB1      ALA  83   1.511   4.198  -2.102
 1793    HB2  ALA  83           HB2      ALA  83   1.004   4.771  -0.514
 1794    HB3  ALA  83           HB3      ALA  83   0.468   5.618  -1.967
 1795    H    MET  84           H        MET  84   2.520   6.087   1.080
 1796    HA   MET  84           HA       MET  84   1.182   8.624   1.347
 1797    HB2  MET  84           HB2      MET  84   0.706   6.909   2.931
 1798    HB3  MET  84           HB3      MET  84   2.408   6.693   3.298
 1799    HG2  MET  84           HG2      MET  84   2.427   8.980   4.260
 1800    HG3  MET  84           HG3      MET  84   0.677   9.036   4.015
 1801    HE1  MET  84           HE1      MET  84   2.089   5.638   4.506
 1802    HE2  MET  84           HE2      MET  84   3.409   6.491   5.361
 1803    HE3  MET  84           HE3      MET  84   2.293   5.413   6.266
 1804    H    MET  85           H        MET  85   4.433   7.453   1.439
 1805    HA   MET  85           HA       MET  85   5.652   9.797   2.435
 1806    HB2  MET  85           HB2      MET  85   6.581   7.423   2.157
 1807    HB3  MET  85           HB3      MET  85   6.921   7.913   0.489
 1808    HG2  MET  85           HG2      MET  85   7.931   9.996   1.854
 1809    HG3  MET  85           HG3      MET  85   8.215   8.694   2.995
 1810    HE1  MET  85           HE1      MET  85  10.331   6.390   1.980
 1811    HE2  MET  85           HE2      MET  85   8.543   6.489   2.028
 1812    HE3  MET  85           HE3      MET  85   9.392   6.074   0.510
 1813    H    CYS  86           H        CYS  86   4.549   8.672  -0.669
 1814    HA   CYS  86           HA       CYS  86   5.495  10.904  -2.194
 1815    HB2  CYS  86           HB2      CYS  86   5.044   8.756  -3.278
 1816    HB3  CYS  86           HB3      CYS  86   3.359   8.834  -2.778
 1817    HG   CYS  86           HG       CYS  86   3.421   9.332  -5.501
 1818    H    ASN  87           H        ASN  87   2.602  10.050  -0.461
 1819    HA   ASN  87           HA       ASN  87   0.798  11.965  -1.222
 1820    HB2  ASN  87           HB2      ASN  87  -0.163  10.610   0.325
 1821    HB3  ASN  87           HB3      ASN  87   1.314  10.453   1.264
 1822   HD21  ASN  87          HD21      ASN  87  -1.549  12.382   0.717
 1823   HD22  ASN  87          HD22      ASN  87  -1.454  13.276   2.194
 1824    H    GLU  88           H        GLU  88   3.493  12.283   1.046
 1825    HA   GLU  88           HA       GLU  88   3.033  14.877   1.979
 1826    HB2  GLU  88           HB2      GLU  88   5.753  13.684   1.424
 1827    HB3  GLU  88           HB3      GLU  88   5.342  14.889   2.634
 1828    HG2  GLU  88           HG2      GLU  88   4.202  13.292   3.963
 1829    HG3  GLU  88           HG3      GLU  88   4.269  12.083   2.681
 1830    H    PHE  89           H        PHE  89   4.582  13.683  -0.906
 1831    HA   PHE  89           HA       PHE  89   5.576  16.297  -1.666
 1832    HB2  PHE  89           HB2      PHE  89   7.127  14.577  -2.021
 1833    HB3  PHE  89           HB3      PHE  89   5.918  13.488  -2.666
 1834    HD1  PHE  89           HD2      PHE  89   7.635  16.693  -3.415
 1835    HD2  PHE  89           HD1      PHE  89   5.670  13.232  -4.896
 1836    HE1  PHE  89           HE2      PHE  89   8.184  17.384  -5.712
 1837    HE2  PHE  89           HE1      PHE  89   6.212  13.911  -7.208
 1838    HZ   PHE  89           HZ       PHE  89   7.467  15.993  -7.611
 1839    H    PHE  90           H        PHE  90   3.888  13.725  -3.377
 1840    HA   PHE  90           HA       PHE  90   3.228  15.233  -5.632
 1841    HB2  PHE  90           HB2      PHE  90   3.324  12.811  -5.658
 1842    HB3  PHE  90           HB3      PHE  90   1.971  12.705  -4.540
 1843    HD1  PHE  90           HD1      PHE  90   2.968  13.575  -7.978
 1844    HD2  PHE  90           HD2      PHE  90  -0.273  12.856  -5.315
 1845    HE1  PHE  90           HE1      PHE  90   1.424  13.469  -9.891
 1846    HE2  PHE  90           HE2      PHE  90  -1.823  12.750  -7.222
 1847    HZ   PHE  90           HZ       PHE  90  -0.974  13.055  -9.514
 1848    H    GLU  91           H        GLU  91   1.464  14.713  -2.656
 1849    HA   GLU  91           HA       GLU  91  -0.918  15.987  -3.679
 1850    HB2  GLU  91           HB2      GLU  91  -1.414  14.284  -2.195
 1851    HB3  GLU  91           HB3      GLU  91  -0.124  14.716  -1.091
 1852    HG2  GLU  91           HG2      GLU  91  -1.393  16.657  -0.353
 1853    HG3  GLU  91           HG3      GLU  91  -2.659  16.289  -1.525
 1854    H    GLY  92           H        GLY  92   1.926  16.878  -1.876
 1855    HA2  GLY  92           HA2      GLY  92   2.701  19.114  -1.866
 1856    HA3  GLY  92           HA3      GLY  92   1.054  19.661  -2.136
 1857    H    PHE  93           H        PHE  93   2.406  17.530   0.375
 1858    HA   PHE  93           HA       PHE  93   1.058  19.207   2.368
 1859    HB2  PHE  93           HB2      PHE  93   0.724  16.632   2.195
 1860    HB3  PHE  93           HB3      PHE  93   2.334  16.531   2.909
 1861    HD1  PHE  93           HD1      PHE  93   2.727  17.255   5.198
 1862    HD2  PHE  93           HD2      PHE  93  -1.162  17.384   3.475
 1863    HE1  PHE  93           HE1      PHE  93   1.747  17.523   7.438
 1864    HE2  PHE  93           HE2      PHE  93  -2.149  17.651   5.713
 1865    HZ   PHE  93           HZ       PHE  93  -0.693  17.722   7.697
 1866    HA   PRO  94           HA       PRO  94   5.145  20.720   3.199
 1867    HB2  PRO  94           HB2      PRO  94   3.965  22.287   5.347
 1868    HB3  PRO  94           HB3      PRO  94   4.648  22.843   3.820
 1869    HG2  PRO  94           HG2      PRO  94   1.978  22.932   4.426
 1870    HG3  PRO  94           HG3      PRO  94   2.620  22.857   2.777
 1871    HD2  PRO  94           HD2      PRO  94   1.425  20.692   4.446
 1872    HD3  PRO  94           HD3      PRO  94   1.322  20.961   2.697
 1873    H    ASP  95           H        ASP  95   4.990  18.309   4.106
 1874    HA   ASP  95           HA       ASP  95   5.142  18.195   7.007
 1875    HB2  ASP  95           HB2      ASP  95   4.094  16.335   5.818
 1876    HB3  ASP  95           HB3      ASP  95   5.564  16.074   4.885
 1877    H    LYS  96           H        LYS  96   7.232  17.954   4.209
 1878    HA   LYS  96           HA       LYS  96   9.579  17.140   5.507
 1879    HB2  LYS  96           HB2      LYS  96   9.181  17.062   3.044
 1880    HB3  LYS  96           HB3      LYS  96   9.364  18.810   2.997
 1881    HG2  LYS  96           HG2      LYS  96  11.655  18.611   3.784
 1882    HG3  LYS  96           HG3      LYS  96  11.479  16.860   3.886
 1883    HD2  LYS  96           HD2      LYS  96  11.069  18.372   1.320
 1884    HD3  LYS  96           HD3      LYS  96  12.656  17.801   1.831
 1885    HE2  LYS  96           HE2      LYS  96  11.847  16.138   0.391
 1886    HE3  LYS  96           HE3      LYS  96  11.593  15.496   2.011
 1887    HZ1  LYS  96           HZ1      LYS  96   9.277  16.070   1.876
 1888    HZ2  LYS  96           HZ2      LYS  96   9.694  15.156   0.514
 1889    HZ3  LYS  96           HZ3      LYS  96   9.502  16.830   0.371
 1890    H    GLN  97           H        GLN  97  10.942  18.158   6.791
 1891    HA   GLN  97           HA       GLN  97  10.532  20.915   7.468
 1892    HB2  GLN  97           HB2      GLN  97  12.652  18.963   8.380
 1893    HB3  GLN  97           HB3      GLN  97  12.411  20.571   9.051
 1894    HG2  GLN  97           HG2      GLN  97  10.147  19.928   9.742
 1895    HG3  GLN  97           HG3      GLN  97  10.423  18.310   9.103
 1896   HE21  GLN  97          HE21      GLN  97  13.211  18.272  10.007
 1897   HE22  GLN  97          HE22      GLN  97  13.144  18.030  11.716
 1898    HA   PRO  98           HA       PRO  98  14.966  21.253   5.164
 1899    HB2  PRO  98           HB2      PRO  98  14.213  19.095   3.233
 1900    HB3  PRO  98           HB3      PRO  98  15.817  19.612   3.770
 1901    HG2  PRO  98           HG2      PRO  98  14.742  17.393   4.738
 1902    HG3  PRO  98           HG3      PRO  98  15.644  18.493   5.798
 1903    HD2  PRO  98           HD2      PRO  98  12.704  18.063   5.570
 1904    HD3  PRO  98           HD3      PRO  98  13.684  18.454   6.998
 1905    H    ARG  99           H        ARG  99  14.981  22.747   3.509
 1906    HA   ARG  99           HA       ARG  99  12.380  23.585   2.657
 1907    HB2  ARG  99           HB2      ARG  99  15.121  24.757   2.287
 1908    HB3  ARG  99           HB3      ARG  99  13.691  25.464   1.543
 1909    HG2  ARG  99           HG2      ARG  99  14.159  25.055   4.490
 1910    HG3  ARG  99           HG3      ARG  99  14.173  26.592   3.617
 1911    HD2  ARG  99           HD2      ARG  99  11.851  26.429   3.131
 1912    HD3  ARG  99           HD3      ARG  99  11.786  24.761   3.693
 1913    HE   ARG  99           HE       ARG  99  12.473  26.872   5.607
 1914   HH11  ARG  99          HH12      ARG  99  10.162  24.535   4.400
 1915   HH12  ARG  99          HH11      ARG  99   9.202  24.536   5.849
 1916   HH21  ARG  99          HH22      ARG  99  11.209  26.901   7.505
 1917   HH22  ARG  99          HH21      ARG  99   9.775  25.922   7.613
 1918    H    LYS 100           H        LYS 100  12.045  21.583   1.456
 1919    HA   LYS 100           HA       LYS 100  11.951  22.377  -1.281
 1920    HB2  LYS 100           HB2      LYS 100  12.932  20.394  -2.270
 1921    HB3  LYS 100           HB3      LYS 100  14.133  21.176  -1.255
 1922    HG2  LYS 100           HG2      LYS 100  14.071  19.504   0.338
 1923    HG3  LYS 100           HG3      LYS 100  12.473  18.945  -0.163
 1924    HD2  LYS 100           HD2      LYS 100  14.160  17.352  -0.858
 1925    HD3  LYS 100           HD3      LYS 100  13.444  18.124  -2.272
 1926    HE2  LYS 100           HE2      LYS 100  15.784  18.026  -2.647
 1927    HE3  LYS 100           HE3      LYS 100  15.397  19.704  -2.270
 1928    HZ1  LYS 100           HZ1      LYS 100  16.495  17.725  -0.345
 1929    HZ2  LYS 100           HZ2      LYS 100  16.180  19.361  -0.022
 1930    HZ3  LYS 100           HZ3      LYS 100  17.390  18.932  -1.127
 1931    H    LYS 101           H        LYS 101  10.597  20.688  -2.515
 1932    HA   LYS 101           HA       LYS 101   8.598  19.646  -0.630
 1933    HB2  LYS 101           HB2      LYS 101   7.770  21.304  -2.258
 1934    HB3  LYS 101           HB3      LYS 101   8.294  20.263  -3.575
 1935    HG2  LYS 101           HG2      LYS 101   6.685  18.595  -2.992
 1936    HG3  LYS 101           HG3      LYS 101   6.264  19.450  -1.506
 1937    HD2  LYS 101           HD2      LYS 101   5.870  20.542  -4.292
 1938    HD3  LYS 101           HD3      LYS 101   4.610  19.769  -3.326
 1939    HE2  LYS 101           HE2      LYS 101   4.852  21.495  -1.615
 1940    HE3  LYS 101           HE3      LYS 101   6.136  22.256  -2.553
 1941    HZ1  LYS 101           HZ1      LYS 101   4.584  22.750  -4.292
 1942    HZ2  LYS 101           HZ2      LYS 101   3.959  23.339  -2.827
 1943    HZ3  LYS 101           HZ3      LYS 101   3.343  21.907  -3.499
  Start of MODEL   14
    1    H1   GLN1897           H1       GLN1897 -18.170 -11.888   0.564
    2    H2   GLN1897           H2       GLN1897 -19.612 -12.018  -0.318
    3    H3   GLN1897           H3       GLN1897 -19.659 -11.685   1.345
    4    HA   GLN1897           HA       GLN1897 -18.530  -9.903  -0.734
    5    HB2  GLN1897           HB2      GLN1897 -21.017 -10.043  -0.739
    6    HB3  GLN1897           HB3      GLN1897 -21.024  -9.614   0.965
    7    HG2  GLN1897           HG2      GLN1897 -21.528  -7.631  -0.163
    8    HG3  GLN1897           HG3      GLN1897 -19.824  -7.476   0.276
    9   HE21  GLN1897          HE21      GLN1897 -19.401  -6.009  -1.312
   10   HE22  GLN1897          HE22      GLN1897 -19.318  -6.442  -2.980
   11    H    ARG1898           H        ARG1898 -17.515  -8.063   0.059
   12    HA   ARG1898           HA       ARG1898 -16.727  -6.516   1.480
   13    HB2  ARG1898           HB2      ARG1898 -18.930  -6.514   2.543
   14    HB3  ARG1898           HB3      ARG1898 -18.451  -7.872   3.539
   15    HG2  ARG1898           HG2      ARG1898 -16.805  -6.516   4.672
   16    HG3  ARG1898           HG3      ARG1898 -17.146  -5.161   3.593
   17    HD2  ARG1898           HD2      ARG1898 -18.272  -4.792   5.679
   18    HD3  ARG1898           HD3      ARG1898 -19.475  -5.138   4.438
   19    HE   ARG1898           HE       ARG1898 -18.722  -7.508   5.814
   20   HH11  ARG1898          HH12      ARG1898 -20.678  -4.605   6.146
   21   HH12  ARG1898          HH11      ARG1898 -21.731  -5.307   7.335
   22   HH21  ARG1898          HH22      ARG1898 -20.090  -8.416   7.364
   23   HH22  ARG1898          HH21      ARG1898 -21.392  -7.480   8.038
   24    H    GLU1899           H        GLU1899 -15.118  -8.252   0.769
   25    HA   GLU1899           HA       GLU1899 -13.632  -9.781   2.562
   26    HB2  GLU1899           HB2      GLU1899 -11.713  -8.736   1.043
   27    HB3  GLU1899           HB3      GLU1899 -12.867  -9.895   0.383
   28    HG2  GLU1899           HG2      GLU1899 -13.706  -7.082   0.320
   29    HG3  GLU1899           HG3      GLU1899 -12.354  -7.479  -0.734
   30    H    LEU1900           H        LEU1900 -14.155  -6.425   2.311
   31    HA   LEU1900           HA       LEU1900 -11.752  -5.435   3.350
   32    HB2  LEU1900           HB2      LEU1900 -14.531  -4.227   3.282
   33    HB3  LEU1900           HB3      LEU1900 -13.103  -3.381   3.815
   34    HG   LEU1900           HG       LEU1900 -13.469  -2.616   1.682
   35   HD11  LEU1900          HD11      LEU1900 -11.603  -3.467   0.324
   36   HD12  LEU1900          HD12      LEU1900 -11.167  -3.065   1.987
   37   HD13  LEU1900          HD13      LEU1900 -11.384  -4.749   1.515
   38   HD21  LEU1900          HD21      LEU1900 -13.754  -5.402   0.646
   39   HD22  LEU1900          HD22      LEU1900 -15.091  -4.312   1.024
   40   HD23  LEU1900          HD23      LEU1900 -13.944  -3.891  -0.245
   41    H    GLU1901           H        GLU1901 -14.090  -7.277   4.891
   42    HA   GLU1901           HA       GLU1901 -13.916  -6.103   7.499
   43    HB2  GLU1901           HB2      GLU1901 -14.794  -8.830   6.554
   44    HB3  GLU1901           HB3      GLU1901 -14.751  -8.385   8.253
   45    HG2  GLU1901           HG2      GLU1901 -16.295  -6.515   7.738
   46    HG3  GLU1901           HG3      GLU1901 -16.416  -7.132   6.091
   47    H    ASP1902           H        ASP1902 -12.569  -9.111   6.130
   48    HA   ASP1902           HA       ASP1902 -10.734  -9.309   8.368
   49    HB2  ASP1902           HB2      ASP1902 -11.906 -11.299   7.419
   50    HB3  ASP1902           HB3      ASP1902 -10.984 -11.090   5.933
   51    H    ALA1903           H        ALA1903 -10.700  -8.022   5.207
   52    HA   ALA1903           HA       ALA1903  -7.863  -8.367   4.785
   53    HB1  ALA1903           HB1      ALA1903 -10.038  -6.972   3.260
   54    HB2  ALA1903           HB2      ALA1903  -8.335  -6.797   2.831
   55    HB3  ALA1903           HB3      ALA1903  -9.089  -8.392   2.794
   56    H    THR1904           H        THR1904  -9.913  -5.431   4.989
   57    HA   THR1904           HA       THR1904  -7.512  -3.893   5.482
   58    HB   THR1904           HB       THR1904  -9.022  -1.913   5.320
   59    HG1  THR1904           HG1      THR1904 -11.059  -2.390   5.646
   60   HG21  THR1904          HG21      THR1904  -7.839  -2.765   3.355
   61   HG22  THR1904          HG22      THR1904  -9.427  -2.133   2.914
   62   HG23  THR1904          HG23      THR1904  -9.171  -3.874   3.030
   63    H    GLU1905           H        GLU1905  -9.387  -5.626   7.466
   64    HA   GLU1905           HA       GLU1905  -9.874  -4.116   9.744
   65    HB2  GLU1905           HB2      GLU1905 -10.211  -6.585   9.515
   66    HB3  GLU1905           HB3      GLU1905  -8.464  -6.777   9.601
   67    HG2  GLU1905           HG2      GLU1905  -9.402  -7.300  11.731
   68    HG3  GLU1905           HG3      GLU1905  -8.488  -5.803  11.850
   69    H    THR1906           H        THR1906  -6.965  -5.611   8.555
   70    HA   THR1906           HA       THR1906  -5.251  -4.882  10.666
   71    HB   THR1906           HB       THR1906  -4.109  -5.474   7.993
   72    HG1  THR1906           HG1      THR1906  -5.315  -7.183   7.663
   73   HG21  THR1906          HG21      THR1906  -2.816  -7.085   9.312
   74   HG22  THR1906          HG22      THR1906  -3.814  -6.740  10.725
   75   HG23  THR1906          HG23      THR1906  -2.763  -5.488  10.060
   76    H    ALA1907           H        ALA1907  -6.623  -2.961   8.309
   77    HA   ALA1907           HA       ALA1907  -4.494  -1.385   7.448
   78    HB1  ALA1907           HB1      ALA1907  -6.143   0.383   6.991
   79    HB2  ALA1907           HB2      ALA1907  -6.681  -1.202   6.399
   80    HB3  ALA1907           HB3      ALA1907  -7.352  -0.537   7.893
   81    H    ASP1908           H        ASP1908  -6.575  -1.101  10.284
   82    HA   ASP1908           HA       ASP1908  -5.521   1.233  11.377
   83    HB2  ASP1908           HB2      ASP1908  -7.513   0.172  12.291
   84    HB3  ASP1908           HB3      ASP1908  -6.576  -1.232  12.787
   85    H    ALA1909           H        ALA1909  -4.409  -2.135  11.717
   86    HA   ALA1909           HA       ALA1909  -2.331  -1.569  13.557
   87    HB1  ALA1909           HB1      ALA1909  -2.487  -3.843  11.587
   88    HB2  ALA1909           HB2      ALA1909  -1.461  -3.761  13.021
   89    HB3  ALA1909           HB3      ALA1909  -3.216  -3.825  13.194
   90    H    MET1910           H        MET1910  -1.942  -2.470  10.104
   91    HA   MET1910           HA       MET1910   0.565  -1.608   9.626
   92    HB2  MET1910           HB2      MET1910  -0.595  -2.633   7.872
   93    HB3  MET1910           HB3      MET1910  -1.883  -1.443   7.902
   94    HG2  MET1910           HG2      MET1910  -0.407   0.239   6.976
   95    HG3  MET1910           HG3      MET1910   0.957  -0.880   7.051
   96    HE1  MET1910           HE1      MET1910   1.034  -3.163   5.645
   97    HE2  MET1910           HE2      MET1910  -0.571  -3.575   6.258
   98    HE3  MET1910           HE3      MET1910  -0.246  -3.644   4.526
   99    H    ASN1911           H        ASN1911  -2.223   0.559   9.964
  100    HA   ASN1911           HA       ASN1911  -0.946   2.858   8.869
  101    HB2  ASN1911           HB2      ASN1911  -3.402   2.618   9.254
  102    HB3  ASN1911           HB3      ASN1911  -3.111   2.748  10.981
  103   HD21  ASN1911          HD21      ASN1911  -3.149   4.397   7.959
  104   HD22  ASN1911          HD22      ASN1911  -3.080   5.989   8.596
  105    H    ARG1912           H        ARG1912  -1.048   1.564  12.162
  106    HA   ARG1912           HA       ARG1912   0.052   3.858  13.409
  107    HB2  ARG1912           HB2      ARG1912   0.368   1.018  14.341
  108    HB3  ARG1912           HB3      ARG1912   0.388   2.464  15.327
  109    HG2  ARG1912           HG2      ARG1912  -1.953   1.133  14.024
  110    HG3  ARG1912           HG3      ARG1912  -1.710   1.532  15.726
  111    HD2  ARG1912           HD2      ARG1912  -2.118   3.511  13.479
  112    HD3  ARG1912           HD3      ARG1912  -3.336   3.031  14.667
  113    HE   ARG1912           HE       ARG1912  -1.152   3.965  16.105
  114   HH11  ARG1912          HH12      ARG1912  -3.450   5.233  13.778
  115   HH12  ARG1912          HH11      ARG1912  -3.355   6.863  14.380
  116   HH21  ARG1912          HH22      ARG1912  -1.022   6.109  16.887
  117   HH22  ARG1912          HH21      ARG1912  -1.985   7.354  16.153
  118    H    GLU1913           H        GLU1913   1.426   0.912  12.092
  119    HA   GLU1913           HA       GLU1913   4.124   1.716  12.672
  120    HB2  GLU1913           HB2      GLU1913   4.716  -0.313  11.337
  121    HB3  GLU1913           HB3      GLU1913   3.652  -0.633  12.701
  122    HG2  GLU1913           HG2      GLU1913   1.736  -0.671  11.190
  123    HG3  GLU1913           HG3      GLU1913   2.812  -0.369   9.822
  124    H    VAL1914           H        VAL1914   1.902   1.993   9.992
  125    HA   VAL1914           HA       VAL1914   3.802   2.313   7.929
  126    HB   VAL1914           HB       VAL1914   1.217   1.884   7.792
  127   HG11  VAL1914          HG11      VAL1914  -0.020   3.911   7.075
  128   HG12  VAL1914          HG12      VAL1914   0.398   3.890   8.791
  129   HG13  VAL1914          HG13      VAL1914   1.333   4.879   7.664
  130   HG21  VAL1914          HG21      VAL1914   2.681   1.855   5.880
  131   HG22  VAL1914          HG22      VAL1914   1.167   2.676   5.497
  132   HG23  VAL1914          HG23      VAL1914   2.631   3.615   5.791
  133    H    SER1915           H        SER1915   2.175   4.622  10.034
  134    HA   SER1915           HA       SER1915   3.195   6.881   8.634
  135    HB2  SER1915           HB2      SER1915   1.090   6.699  10.063
  136    HB3  SER1915           HB3      SER1915   2.150   6.911  11.457
  137    HG   SER1915           HG       SER1915   1.282   8.740   9.587
  138    H    SER1916           H        SER1916   4.181   4.888  11.333
  139    HA   SER1916           HA       SER1916   6.420   6.538  12.057
  140    HB2  SER1916           HB2      SER1916   5.311   4.935  13.624
  141    HB3  SER1916           HB3      SER1916   5.945   3.605  12.657
  142    HG   SER1916           HG       SER1916   7.351   5.497  14.223
  143    H    LEU1917           H        LEU1917   5.924   3.666  10.054
  144    HA   LEU1917           HA       LEU1917   8.639   3.159   9.518
  145    HB2  LEU1917           HB2      LEU1917   6.805   1.491   9.314
  146    HB3  LEU1917           HB3      LEU1917   6.256   2.328   7.876
  147    HG   LEU1917           HG       LEU1917   8.997   1.076   8.129
  148   HD11  LEU1917          HD11      LEU1917   6.449  -0.011   6.955
  149   HD12  LEU1917          HD12      LEU1917   8.052  -0.669   6.623
  150   HD13  LEU1917          HD13      LEU1917   7.410  -0.696   8.267
  151   HD21  LEU1917          HD21      LEU1917   9.228   1.452   5.838
  152   HD22  LEU1917          HD22      LEU1917   7.506   1.776   5.628
  153   HD23  LEU1917          HD23      LEU1917   8.530   2.947   6.453
  154    H    LYS1918           H        LYS1918   6.104   4.700   7.496
  155    HA   LYS1918           HA       LYS1918   7.790   5.166   5.343
  156    HB2  LYS1918           HB2      LYS1918   5.907   5.854   4.417
  157    HB3  LYS1918           HB3      LYS1918   5.127   5.768   5.984
  158    HG2  LYS1918           HG2      LYS1918   6.666   8.206   5.254
  159    HG3  LYS1918           HG3      LYS1918   5.057   7.944   4.569
  160    HD2  LYS1918           HD2      LYS1918   4.024   7.895   6.688
  161    HD3  LYS1918           HD3      LYS1918   5.569   7.696   7.513
  162    HE2  LYS1918           HE2      LYS1918   4.634   9.941   7.748
  163    HE3  LYS1918           HE3      LYS1918   6.213   9.925   6.976
  164    HZ1  LYS1918           HZ1      LYS1918   4.446  11.437   5.994
  165    HZ2  LYS1918           HZ2      LYS1918   3.716  10.034   5.391
  166    HZ3  LYS1918           HZ3      LYS1918   5.288  10.446   4.908
  167    H    ASN1919           H        ASN1919   7.661   6.683   8.376
  168    HA   ASN1919           HA       ASN1919   9.287   8.948   7.573
  169    HB2  ASN1919           HB2      ASN1919   7.525   9.231   9.292
  170    HB3  ASN1919           HB3      ASN1919   8.385   8.098  10.331
  171   HD21  ASN1919          HD21      ASN1919   8.820   9.500  11.962
  172   HD22  ASN1919          HD22      ASN1919   9.888  10.856  11.797
  173    H    LYS1920           H        LYS1920   9.753   5.699   8.853
  174    HA   LYS1920           HA       LYS1920  12.196   6.407  10.225
  175    HB2  LYS1920           HB2      LYS1920  12.166   4.166  11.040
  176    HB3  LYS1920           HB3      LYS1920  10.495   4.709  11.085
  177    HG2  LYS1920           HG2      LYS1920   9.947   3.436   9.114
  178    HG3  LYS1920           HG3      LYS1920  11.637   3.105   8.843
  179    HD2  LYS1920           HD2      LYS1920   9.809   2.012  10.950
  180    HD3  LYS1920           HD3      LYS1920  10.795   1.125   9.792
  181    HE2  LYS1920           HE2      LYS1920  11.947   2.776  12.030
  182    HE3  LYS1920           HE3      LYS1920  11.574   1.064  12.188
  183    HZ1  LYS1920           HZ1      LYS1920  13.898   1.429  11.675
  184    HZ2  LYS1920           HZ2      LYS1920  13.490   2.241  10.247
  185    HZ3  LYS1920           HZ3      LYS1920  13.136   0.595  10.415
  186    H    LEU1921           H        LEU1921  10.962   5.207   7.294
  187    HA   LEU1921           HA       LEU1921  13.328   4.209   6.136
  188    HB2  LEU1921           HB2      LEU1921  10.758   5.343   5.054
  189    HB3  LEU1921           HB3      LEU1921  12.081   4.943   3.978
  190    HG   LEU1921           HG       LEU1921  10.774   2.967   5.841
  191   HD11  LEU1921          HD11      LEU1921   9.677   2.043   3.906
  192   HD12  LEU1921          HD12      LEU1921   9.233   3.746   4.057
  193   HD13  LEU1921          HD13      LEU1921  10.427   3.252   2.855
  194   HD21  LEU1921          HD21      LEU1921  12.063   1.350   4.761
  195   HD22  LEU1921          HD22      LEU1921  12.547   2.457   3.480
  196   HD23  LEU1921          HD23      LEU1921  13.177   2.661   5.112
  197    H    ARG1922           H        ARG1922  11.717   7.348   5.597
  198    HA   ARG1922           HA       ARG1922  13.952   8.335   4.160
  199    HB2  ARG1922           HB2      ARG1922  11.364   8.964   4.145
  200    HB3  ARG1922           HB3      ARG1922  11.928  10.208   5.256
  201    HG2  ARG1922           HG2      ARG1922  13.360  11.161   3.664
  202    HG3  ARG1922           HG3      ARG1922  13.281   9.734   2.628
  203    HD2  ARG1922           HD2      ARG1922  12.000  11.451   1.603
  204    HD3  ARG1922           HD3      ARG1922  10.887  10.236   2.222
  205    HE   ARG1922           HE       ARG1922  10.056  11.781   3.724
  206   HH11  ARG1922          HH12      ARG1922  12.961  13.064   2.252
  207   HH12  ARG1922          HH11      ARG1922  12.542  14.720   2.573
  208   HH21  ARG1922          HH22      ARG1922   9.494  13.942   4.136
  209   HH22  ARG1922          HH21      ARG1922  10.581  15.218   3.662
  210    H    ARG1923           H        ARG1923  13.664   7.790   7.328
  211    HA   ARG1923           HA       ARG1923  15.600   9.896   8.018
  212    HB2  ARG1923           HB2      ARG1923  13.442   9.988   9.288
  213    HB3  ARG1923           HB3      ARG1923  13.797   8.365   9.873
  214    HG2  ARG1923           HG2      ARG1923  15.941   9.318  10.826
  215    HG3  ARG1923           HG3      ARG1923  15.269  10.913  10.479
  216    HD2  ARG1923           HD2      ARG1923  14.811  10.331  12.774
  217    HD3  ARG1923           HD3      ARG1923  13.302  10.348  11.859
  218    HE   ARG1923           HE       ARG1923  14.740   7.831  12.424
  219   HH11  ARG1923          HH12      ARG1923  11.835   9.790  12.563
  220   HH12  ARG1923          HH11      ARG1923  10.828   8.468  13.069
  221   HH21  ARG1923          HH22      ARG1923  13.413   6.108  13.089
  222   HH22  ARG1923          HH21      ARG1923  11.714   6.378  13.350
  223    H    GLY1924           H        GLY1924  17.374   8.623   7.360
  224    HA2  GLY1924           HA2      GLY1924  19.004   7.488   8.986
  225    HA3  GLY1924           HA3      GLY1924  17.819   6.193   8.957
  226    H    ASP1925           H        ASP1925  18.903   8.215   6.297
  227    HA   ASP1925           HA       ASP1925  20.045   7.829   4.391
  228    HB2  ASP1925           HB2      ASP1925  21.877   7.362   5.944
  229    HB3  ASP1925           HB3      ASP1925  21.395   5.671   6.015
  230    H    LEU1926           H        LEU1926  18.213   7.185   3.243
  231    HA   LEU1926           HA       LEU1926  17.920   4.306   2.793
  232    HB2  LEU1926           HB2      LEU1926  16.204   6.670   2.126
  233    HB3  LEU1926           HB3      LEU1926  15.991   5.146   1.294
  234    HG   LEU1926           HG       LEU1926  15.229   5.935   4.036
  235   HD11  LEU1926          HD11      LEU1926  14.166   3.969   2.014
  236   HD12  LEU1926          HD12      LEU1926  13.370   4.450   3.514
  237   HD13  LEU1926          HD13      LEU1926  13.625   5.636   2.232
  238   HD21  LEU1926          HD21      LEU1926  16.967   4.169   4.396
  239   HD22  LEU1926          HD22      LEU1926  15.346   3.757   4.961
  240   HD23  LEU1926          HD23      LEU1926  15.952   3.073   3.450
  241    HA   PRO1927           HA       PRO1927  19.574   4.877  -1.352
  242    HB2  PRO1927           HB2      PRO1927  19.239   2.376  -2.220
  243    HB3  PRO1927           HB3      PRO1927  20.455   2.752  -0.997
  244    HG2  PRO1927           HG2      PRO1927  17.789   1.466  -0.689
  245    HG3  PRO1927           HG3      PRO1927  19.292   1.162   0.197
  246    HD2  PRO1927           HD2      PRO1927  17.137   2.745   1.063
  247    HD3  PRO1927           HD3      PRO1927  18.758   2.696   1.778
  248    H    PHE1928           H        PHE1928  16.497   4.761  -0.363
  249    HA   PHE1928           HA       PHE1928  15.357   4.889  -3.020
  250    HB2  PHE1928           HB2      PHE1928  14.485   2.831  -3.009
  251    HB3  PHE1928           HB3      PHE1928  15.337   2.505  -1.530
  252    HD1  PHE1928           HD2      PHE1928  12.312   4.376  -2.494
  253    HD2  PHE1928           HD1      PHE1928  14.034   1.439   0.025
  254    HE1  PHE1928           HE2      PHE1928  10.155   4.095  -1.348
  255    HE2  PHE1928           HE1      PHE1928  11.897   1.156   1.176
  256    HZ   PHE1928           HZ       PHE1928   9.987   2.225   0.436
  257    H    VAL1929           H        VAL1929  13.647   6.216  -3.135
  258    HA   VAL1929           HA       VAL1929  12.023   7.004  -0.906
  259    HB   VAL1929           HB       VAL1929  12.633   9.462  -1.181
  260   HG11  VAL1929          HG11      VAL1929  14.715   7.678   0.044
  261   HG12  VAL1929          HG12      VAL1929  14.413   9.370   0.450
  262   HG13  VAL1929          HG13      VAL1929  13.194   8.144   0.807
  263   HG21  VAL1929          HG21      VAL1929  13.901   9.122  -3.239
  264   HG22  VAL1929          HG22      VAL1929  14.863   9.949  -2.003
  265   HG23  VAL1929          HG23      VAL1929  15.121   8.232  -2.330
  266    H    VAL1930           H        VAL1930  10.402   8.601  -1.588
  267    HA   VAL1930           HA       VAL1930   9.816   8.317  -4.408
  268    HB   VAL1930           HB       VAL1930   8.209   9.871  -2.389
  269   HG11  VAL1930          HG11      VAL1930   7.495   8.594  -5.029
  270   HG12  VAL1930          HG12      VAL1930   6.376   9.439  -3.960
  271   HG13  VAL1930          HG13      VAL1930   7.696  10.320  -4.729
  272   HG21  VAL1930          HG21      VAL1930   6.855   7.843  -2.123
  273   HG22  VAL1930          HG22      VAL1930   8.006   6.955  -3.122
  274   HG23  VAL1930          HG23      VAL1930   8.511   7.606  -1.563
  275    HA   PRO1931           HA       PRO1931  11.524  12.340  -5.452
  276    HB2  PRO1931           HB2      PRO1931  10.483  12.291  -7.999
  277    HB3  PRO1931           HB3      PRO1931  12.024  11.561  -7.536
  278    HG2  PRO1931           HG2      PRO1931   9.360  10.279  -7.946
  279    HG3  PRO1931           HG3      PRO1931  10.979   9.668  -8.340
  280    HD2  PRO1931           HD2      PRO1931   9.564   8.839  -6.183
  281    HD3  PRO1931           HD3      PRO1931  11.339   8.894  -6.208
  282    H    ARG1932           H        ARG1932  10.528  14.345  -6.432
  283    HA   ARG1932           HA       ARG1932   8.253  15.077  -4.989
  284    HB2  ARG1932           HB2      ARG1932   8.275  17.178  -6.237
  285    HB3  ARG1932           HB3      ARG1932   9.890  16.727  -5.717
  286    HG2  ARG1932           HG2      ARG1932   8.905  16.085  -8.473
  287    HG3  ARG1932           HG3      ARG1932   9.590  17.661  -8.077
  288    HD2  ARG1932           HD2      ARG1932  11.671  16.667  -7.440
  289    HD3  ARG1932           HD3      ARG1932  10.994  15.045  -7.579
  290    HE   ARG1932           HE       ARG1932  10.878  16.557 -10.019
  291   HH11  ARG1932          HH12      ARG1932  12.894  14.490  -8.024
  292   HH12  ARG1932          HH11      ARG1932  13.852  13.919  -9.361
  293   HH21  ARG1932          HH22      ARG1932  12.111  15.815 -11.772
  294   HH22  ARG1932          HH21      ARG1932  13.408  14.682 -11.508
  295    H    ARG1933           H        ARG1933   8.432  13.354  -7.847
  296    HA   ARG1933           HA       ARG1933   5.544  13.252  -7.975
  297    HB2  ARG1933           HB2      ARG1933   5.549  13.428 -10.471
  298    HB3  ARG1933           HB3      ARG1933   5.956  14.936  -9.667
  299    HG2  ARG1933           HG2      ARG1933   8.294  14.622 -10.167
  300    HG3  ARG1933           HG3      ARG1933   7.964  13.031 -10.855
  301    HD2  ARG1933           HD2      ARG1933   8.241  14.702 -12.611
  302    HD3  ARG1933           HD3      ARG1933   6.600  14.060 -12.600
  303    HE   ARG1933           HE       ARG1933   7.108  16.573 -11.179
  304   HH11  ARG1933          HH12      ARG1933   5.770  14.921 -13.972
  305   HH12  ARG1933          HH11      ARG1933   4.766  16.260 -14.439
  306   HH21  ARG1933          HH22      ARG1933   5.820  18.352 -11.827
  307   HH22  ARG1933          HH21      ARG1933   4.788  18.205 -13.224
  308    H    MET1934           H        MET1934   5.177  11.429  -9.965
  309    HA   MET1934           HA       MET1934   6.545   9.135  -8.986
  310    HB2  MET1934           HB2      MET1934   4.561   9.644 -11.130
  311    HB3  MET1934           HB3      MET1934   5.534   8.185 -11.274
  312    HG2  MET1934           HG2      MET1934   3.439   7.744 -10.130
  313    HG3  MET1934           HG3      MET1934   4.820   7.462  -9.073
  314    HE1  MET1934           HE1      MET1934   3.394   8.929  -6.030
  315    HE2  MET1934           HE2      MET1934   3.316   7.429  -6.959
  316    HE3  MET1934           HE3      MET1934   4.865   8.245  -6.725
  317    H    ALA1935           H        ALA1935   7.282  11.486 -11.297
  318    HA   ALA1935           HA       ALA1935   9.104  11.902 -12.562
  319    HB1  ALA1935           HB1      ALA1935  10.437   9.931 -10.711
  320    HB2  ALA1935           HB2      ALA1935  11.232  11.171 -11.679
  321    HB3  ALA1935           HB3      ALA1935  10.163  11.637 -10.351
  322    H    MET   1           H1       MET   1   2.867  -4.808 -19.643
  323    HA   MET   1           HA       MET   1   0.946  -3.594 -20.371
  324    HB2  MET   1           HB2      MET   1  -0.021  -3.990 -17.529
  325    HB3  MET   1           HB3      MET   1  -0.796  -2.974 -18.736
  326    HG2  MET   1           HG2      MET   1  -0.437  -5.953 -18.951
  327    HG3  MET   1           HG3      MET   1  -1.914  -5.139 -18.438
  328    HE1  MET   1           HE1      MET   1  -2.994  -3.250 -21.674
  329    HE2  MET   1           HE2      MET   1  -3.415  -3.655 -20.010
  330    HE3  MET   1           HE3      MET   1  -2.023  -2.624 -20.342
  331    H    ALA   2           H        ALA   2   1.035  -2.709 -16.995
  332    HA   ALA   2           HA       ALA   2   2.895  -0.508 -17.641
  333    HB1  ALA   2           HB1      ALA   2   1.902   0.675 -15.751
  334    HB2  ALA   2           HB2      ALA   2   0.653   0.195 -16.900
  335    HB3  ALA   2           HB3      ALA   2   0.874  -0.714 -15.405
  336    H    CYS   3           H        CYS   3   4.225   0.156 -15.613
  337    HA   CYS   3           HA       CYS   3   5.681  -2.038 -14.611
  338    HB2  CYS   3           HB2      CYS   3   5.590   0.774 -13.496
  339    HB3  CYS   3           HB3      CYS   3   6.884  -0.403 -13.303
  340    HG   CYS   3           HG       CYS   3   7.099   1.939 -15.256
  341    HA   PRO   4           HA       PRO   4   2.226  -3.273 -12.095
  342    HB2  PRO   4           HB2      PRO   4   4.426  -4.923 -10.914
  343    HB3  PRO   4           HB3      PRO   4   2.806  -5.423 -11.431
  344    HG2  PRO   4           HG2      PRO   4   4.849  -5.987 -12.977
  345    HG3  PRO   4           HG3      PRO   4   3.377  -5.321 -13.709
  346    HD2  PRO   4           HD2      PRO   4   5.964  -3.955 -13.076
  347    HD3  PRO   4           HD3      PRO   4   4.925  -3.792 -14.507
  348    H    LEU   5           H        LEU   5   5.281  -3.346 -10.243
  349    HA   LEU   5           HA       LEU   5   3.920  -2.714  -7.830
  350    HB2  LEU   5           HB2      LEU   5   6.277  -3.903  -8.401
  351    HB3  LEU   5           HB3      LEU   5   6.846  -2.302  -7.981
  352    HG   LEU   5           HG       LEU   5   6.921  -3.864  -6.073
  353   HD11  LEU   5          HD11      LEU   5   4.943  -1.623  -5.749
  354   HD12  LEU   5          HD12      LEU   5   5.785  -2.452  -4.437
  355   HD13  LEU   5          HD13      LEU   5   6.696  -1.511  -5.614
  356   HD21  LEU   5          HD21      LEU   5   3.923  -3.910  -6.343
  357   HD22  LEU   5          HD22      LEU   5   5.017  -5.259  -6.654
  358   HD23  LEU   5          HD23      LEU   5   4.856  -4.613  -5.020
  359    H    GLU   6           H        GLU   6   5.651  -0.868 -10.240
  360    HA   GLU   6           HA       GLU   6   6.038   1.509  -8.846
  361    HB2  GLU   6           HB2      GLU   6   7.022   1.169 -11.041
  362    HB3  GLU   6           HB3      GLU   6   5.423   1.097 -11.771
  363    HG2  GLU   6           HG2      GLU   6   5.171   3.485 -10.739
  364    HG3  GLU   6           HG3      GLU   6   6.934   3.447 -10.746
  365    H    LYS   7           H        LYS   7   3.361   0.536 -10.945
  366    HA   LYS   7           HA       LYS   7   1.904   2.913 -10.613
  367    HB2  LYS   7           HB2      LYS   7   1.320   0.224 -11.752
  368    HB3  LYS   7           HB3      LYS   7  -0.030   1.308 -11.428
  369    HG2  LYS   7           HG2      LYS   7   2.375   2.111 -13.046
  370    HG3  LYS   7           HG3      LYS   7   0.906   1.427 -13.750
  371    HD2  LYS   7           HD2      LYS   7  -0.408   3.256 -13.016
  372    HD3  LYS   7           HD3      LYS   7   0.877   3.846 -11.962
  373    HE2  LYS   7           HE2      LYS   7   1.203   3.683 -14.940
  374    HE3  LYS   7           HE3      LYS   7   0.479   5.082 -14.151
  375    HZ1  LYS   7           HZ1      LYS   7   2.860   5.368 -14.561
  376    HZ2  LYS   7           HZ2      LYS   7   3.209   4.029 -13.576
  377    HZ3  LYS   7           HZ3      LYS   7   2.500   5.420 -12.904
  378    H    ALA   8           H        ALA   8   2.087   0.042  -8.671
  379    HA   ALA   8           HA       ALA   8  -0.275   0.179  -7.240
  380    HB1  ALA   8           HB1      ALA   8   2.465  -0.456  -6.142
  381    HB2  ALA   8           HB2      ALA   8   0.925  -0.877  -5.396
  382    HB3  ALA   8           HB3      ALA   8   1.382  -1.597  -6.938
  383    H    LEU   9           H        LEU   9   2.756   1.955  -6.596
  384    HA   LEU   9           HA       LEU   9   1.516   3.481  -4.477
  385    HB2  LEU   9           HB2      LEU   9   4.154   4.011  -5.851
  386    HB3  LEU   9           HB3      LEU   9   3.613   4.689  -4.330
  387    HG   LEU   9           HG       LEU   9   5.105   3.064  -3.653
  388   HD11  LEU   9          HD11      LEU   9   3.821   1.228  -2.687
  389   HD12  LEU   9          HD12      LEU   9   3.008   2.780  -2.482
  390   HD13  LEU   9          HD13      LEU   9   2.448   1.649  -3.714
  391   HD21  LEU   9          HD21      LEU   9   5.484   2.078  -5.856
  392   HD22  LEU   9          HD22      LEU   9   5.308   0.848  -4.603
  393   HD23  LEU   9          HD23      LEU   9   3.973   1.177  -5.704
  394    H    ASP  10           H        ASP  10   2.414   3.956  -7.817
  395    HA   ASP  10           HA       ASP  10   2.022   6.684  -8.162
  396    HB2  ASP  10           HB2      ASP  10   2.938   5.112  -9.856
  397    HB3  ASP  10           HB3      ASP  10   1.338   4.423 -10.071
  398    H    VAL  11           H        VAL  11  -0.350   4.063  -8.506
  399    HA   VAL  11           HA       VAL  11  -2.467   5.884  -9.128
  400    HB   VAL  11           HB       VAL  11  -3.891   3.982  -9.270
  401   HG11  VAL  11          HG11      VAL  11  -2.237   4.328 -11.063
  402   HG12  VAL  11          HG12      VAL  11  -1.148   3.206 -10.248
  403   HG13  VAL  11          HG13      VAL  11  -2.691   2.633 -10.882
  404   HG21  VAL  11          HG21      VAL  11  -3.191   1.738  -8.569
  405   HG22  VAL  11          HG22      VAL  11  -1.705   2.416  -7.902
  406   HG23  VAL  11          HG23      VAL  11  -3.265   2.853  -7.206
  407    H    MET  12           H        MET  12  -1.165   4.552  -6.224
  408    HA   MET  12           HA       MET  12  -3.348   4.684  -4.508
  409    HB2  MET  12           HB2      MET  12  -0.404   4.994  -4.146
  410    HB3  MET  12           HB3      MET  12  -1.469   5.410  -2.808
  411    HG2  MET  12           HG2      MET  12  -2.337   3.213  -2.705
  412    HG3  MET  12           HG3      MET  12  -1.553   2.766  -4.221
  413    HE1  MET  12           HE1      MET  12  -0.832   0.616  -2.764
  414    HE2  MET  12           HE2      MET  12   0.257   0.704  -1.372
  415    HE3  MET  12           HE3      MET  12  -1.400   1.295  -1.232
  416    H    VAL  13           H        VAL  13  -1.098   7.230  -5.506
  417    HA   VAL  13           HA       VAL  13  -2.699   9.192  -4.076
  418    HB   VAL  13           HB       VAL  13  -0.985  10.830  -4.797
  419   HG11  VAL  13          HG11      VAL  13  -0.823   9.670  -2.648
  420   HG12  VAL  13          HG12      VAL  13   0.095   8.376  -3.419
  421   HG13  VAL  13          HG13      VAL  13   0.779  10.002  -3.326
  422   HG21  VAL  13          HG21      VAL  13   0.408   8.426  -5.945
  423   HG22  VAL  13          HG22      VAL  13  -0.261   9.783  -6.856
  424   HG23  VAL  13          HG23      VAL  13   1.099  10.040  -5.764
  425    H    SER  14           H        SER  14  -2.121   8.101  -7.343
  426    HA   SER  14           HA       SER  14  -3.245  10.355  -8.661
  427    HB2  SER  14           HB2      SER  14  -1.737   8.709  -9.766
  428    HB3  SER  14           HB3      SER  14  -3.025   7.509  -9.673
  429    HG   SER  14           HG       SER  14  -2.708   8.911 -11.685
  430    H    THR  15           H        THR  15  -4.579   7.064  -8.223
  431    HA   THR  15           HA       THR  15  -7.205   7.743  -8.978
  432    HB   THR  15           HB       THR  15  -6.413   5.469  -7.147
  433    HG1  THR  15           HG1      THR  15  -6.636   5.071  -9.900
  434   HG21  THR  15          HG21      THR  15  -8.322   4.330  -8.126
  435   HG22  THR  15          HG22      THR  15  -8.636   5.711  -9.179
  436   HG23  THR  15          HG23      THR  15  -8.838   5.869  -7.435
  437    H    PHE  16           H        PHE  16  -5.458   7.929  -5.979
  438    HA   PHE  16           HA       PHE  16  -7.377   8.349  -4.068
  439    HB2  PHE  16           HB2      PHE  16  -4.969   8.404  -3.631
  440    HB3  PHE  16           HB3      PHE  16  -4.828   9.917  -4.511
  441    HD1  PHE  16           HD1      PHE  16  -6.380   8.376  -1.521
  442    HD2  PHE  16           HD2      PHE  16  -5.054  11.944  -3.416
  443    HE1  PHE  16           HE1      PHE  16  -6.698   9.607   0.583
  444    HE2  PHE  16           HE2      PHE  16  -5.374  13.183  -1.317
  445    HZ   PHE  16           HZ       PHE  16  -6.195  12.012   0.687
  446    H    HIS  17           H        HIS  17  -5.892  10.977  -5.986
  447    HA   HIS  17           HA       HIS  17  -7.829  12.907  -5.214
  448    HB2  HIS  17           HB2      HIS  17  -5.974  12.921  -7.606
  449    HB3  HIS  17           HB3      HIS  17  -6.877  14.307  -7.010
  450    HD1  HIS  17           HD1      HIS  17  -6.284  14.480  -4.131
  451    HD2  HIS  17           HD2      HIS  17  -3.422  13.206  -6.868
  452    HE1  HIS  17           HE1      HIS  17  -4.062  14.897  -3.037
  453    HE2  HIS  17           HE2      HIS  17  -2.378  13.871  -4.608
  454    H    LYS  18           H        LYS  18  -7.640  10.577  -7.730
  455    HA   LYS  18           HA       LYS  18  -9.387  11.603  -9.636
  456    HB2  LYS  18           HB2      LYS  18  -7.883   9.720  -9.998
  457    HB3  LYS  18           HB3      LYS  18  -8.786   8.748  -8.854
  458    HG2  LYS  18           HG2      LYS  18 -10.726   8.814 -10.365
  459    HG3  LYS  18           HG3      LYS  18  -9.762   9.738 -11.525
  460    HD2  LYS  18           HD2      LYS  18  -8.168   7.913 -11.691
  461    HD3  LYS  18           HD3      LYS  18  -9.050   7.000 -10.471
  462    HE2  LYS  18           HE2      LYS  18 -10.998   6.925 -11.972
  463    HE3  LYS  18           HE3      LYS  18 -10.066   7.790 -13.196
  464    HZ1  LYS  18           HZ1      LYS  18 -10.037   5.424 -13.622
  465    HZ2  LYS  18           HZ2      LYS  18  -9.421   5.107 -12.075
  466    HZ3  LYS  18           HZ3      LYS  18  -8.477   5.948 -13.209
  467    H    TYR  19           H        TYR  19 -10.073   9.925  -6.601
  468    HA   TYR  19           HA       TYR  19 -12.933  10.225  -7.231
  469    HB2  TYR  19           HB2      TYR  19 -11.552   7.941  -5.848
  470    HB3  TYR  19           HB3      TYR  19 -13.285   8.223  -5.683
  471    HD1  TYR  19           HD1      TYR  19 -14.741   8.133  -7.693
  472    HD2  TYR  19           HD2      TYR  19 -10.649   6.984  -7.832
  473    HE1  TYR  19           HE1      TYR  19 -15.148   6.991  -9.830
  474    HE2  TYR  19           HE2      TYR  19 -11.037   5.840  -9.972
  475    HH   TYR  19           HH       TYR  19 -13.821   6.338 -11.817
  476    H    SER  20           H        SER  20 -10.536  11.300  -5.158
  477    HA   SER  20           HA       SER  20 -12.377  11.711  -2.937
  478    HB2  SER  20           HB2      SER  20 -10.432  12.871  -1.850
  479    HB3  SER  20           HB3      SER  20 -10.097  11.202  -2.313
  480    HG   SER  20           HG       SER  20  -8.748  11.847  -3.823
  481    H    GLY  21           H        GLY  21 -10.478  13.691  -5.203
  482    HA2  GLY  21           HA2      GLY  21 -11.931  16.096  -4.560
  483    HA3  GLY  21           HA3      GLY  21 -10.753  15.898  -5.853
  484    H    LYS  22           H        LYS  22 -13.779  14.271  -5.096
  485    HA   LYS  22           HA       LYS  22 -14.686  14.768  -7.848
  486    HB2  LYS  22           HB2      LYS  22 -14.049  12.432  -7.339
  487    HB3  LYS  22           HB3      LYS  22 -15.193  12.418  -6.010
  488    HG2  LYS  22           HG2      LYS  22 -17.038  12.629  -7.559
  489    HG3  LYS  22           HG3      LYS  22 -15.908  12.732  -8.914
  490    HD2  LYS  22           HD2      LYS  22 -16.847  10.468  -8.646
  491    HD3  LYS  22           HD3      LYS  22 -15.094  10.498  -8.448
  492    HE2  LYS  22           HE2      LYS  22 -16.050   9.092  -6.744
  493    HE3  LYS  22           HE3      LYS  22 -15.415  10.551  -5.993
  494    HZ1  LYS  22           HZ1      LYS  22 -18.203   9.707  -6.357
  495    HZ2  LYS  22           HZ2      LYS  22 -17.861  11.363  -6.323
  496    HZ3  LYS  22           HZ3      LYS  22 -17.452  10.392  -4.992
  497    H    GLU  23           H        GLU  23 -16.217  13.516  -4.901
  498    HA   GLU  23           HA       GLU  23 -18.196  15.687  -5.074
  499    HB2  GLU  23           HB2      GLU  23 -18.293  12.882  -4.119
  500    HB3  GLU  23           HB3      GLU  23 -19.245  14.049  -3.218
  501    HG2  GLU  23           HG2      GLU  23 -20.562  12.942  -4.919
  502    HG3  GLU  23           HG3      GLU  23 -20.440  14.670  -5.231
  503    H    GLY  24           H        GLY  24 -15.888  14.090  -2.948
  504    HA2  GLY  24           HA2      GLY  24 -16.501  16.001  -0.810
  505    HA3  GLY  24           HA3      GLY  24 -15.511  14.558  -0.655
  506    H    ASP  25           H        ASP  25 -13.731  15.478   0.212
  507    HA   ASP  25           HA       ASP  25 -12.511  17.807  -1.033
  508    HB2  ASP  25           HB2      ASP  25 -12.616  17.658   1.425
  509    HB3  ASP  25           HB3      ASP  25 -11.662  16.179   1.375
  510    H    LYS  26           H        LYS  26 -10.396  17.803  -1.895
  511    HA   LYS  26           HA       LYS  26  -9.921  15.551  -3.545
  512    HB2  LYS  26           HB2      LYS  26  -7.990  16.837  -4.385
  513    HB3  LYS  26           HB3      LYS  26  -9.475  17.767  -4.366
  514    HG2  LYS  26           HG2      LYS  26  -8.088  19.334  -3.512
  515    HG3  LYS  26           HG3      LYS  26  -8.527  18.536  -2.007
  516    HD2  LYS  26           HD2      LYS  26  -6.155  18.873  -2.023
  517    HD3  LYS  26           HD3      LYS  26  -6.468  17.148  -2.216
  518    HE2  LYS  26           HE2      LYS  26  -5.935  17.207  -4.514
  519    HE3  LYS  26           HE3      LYS  26  -6.015  18.968  -4.566
  520    HZ1  LYS  26           HZ1      LYS  26  -4.001  17.492  -2.965
  521    HZ2  LYS  26           HZ2      LYS  26  -4.009  19.140  -3.374
  522    HZ3  LYS  26           HZ3      LYS  26  -3.733  17.972  -4.569
  523    H    PHE  27           H        PHE  27  -9.142  15.894  -0.371
  524    HA   PHE  27           HA       PHE  27  -6.929  13.995  -0.628
  525    HB2  PHE  27           HB2      PHE  27  -6.426  16.384   0.157
  526    HB3  PHE  27           HB3      PHE  27  -7.317  15.969   1.614
  527    HD1  PHE  27           HD1      PHE  27  -6.476  14.289   3.124
  528    HD2  PHE  27           HD2      PHE  27  -4.284  15.572  -0.258
  529    HE1  PHE  27           HE1      PHE  27  -4.404  13.373   4.134
  530    HE2  PHE  27           HE2      PHE  27  -2.205  14.650   0.708
  531    HZ   PHE  27           HZ       PHE  27  -2.270  13.548   2.913
  532    H    LYS  28           H        LYS  28 -10.090  14.171   0.058
  533    HA   LYS  28           HA       LYS  28  -9.871  12.229   2.245
  534    HB2  LYS  28           HB2      LYS  28 -10.396  14.520   3.142
  535    HB3  LYS  28           HB3      LYS  28 -11.885  14.486   2.210
  536    HG2  LYS  28           HG2      LYS  28 -12.463  13.891   4.408
  537    HG3  LYS  28           HG3      LYS  28 -12.492  12.396   3.469
  538    HD2  LYS  28           HD2      LYS  28 -11.391  11.943   5.544
  539    HD3  LYS  28           HD3      LYS  28 -10.178  11.939   4.258
  540    HE2  LYS  28           HE2      LYS  28  -9.345  13.123   6.212
  541    HE3  LYS  28           HE3      LYS  28  -9.547  14.231   4.855
  542    HZ1  LYS  28           HZ1      LYS  28 -10.375  15.235   6.866
  543    HZ2  LYS  28           HZ2      LYS  28 -11.398  13.918   7.156
  544    HZ3  LYS  28           HZ3      LYS  28 -11.678  14.924   5.826
  545    H    LEU  29           H        LEU  29 -10.785  10.439   1.643
  546    HA   LEU  29           HA       LEU  29 -13.106  10.562  -0.169
  547    HB2  LEU  29           HB2      LEU  29 -11.329   8.230   0.550
  548    HB3  LEU  29           HB3      LEU  29 -12.766   8.100  -0.445
  549    HG   LEU  29           HG       LEU  29 -11.488   9.954  -1.868
  550   HD11  LEU  29          HD11      LEU  29  -9.277   8.394  -0.546
  551   HD12  LEU  29          HD12      LEU  29  -9.087   9.470  -1.929
  552   HD13  LEU  29          HD13      LEU  29  -9.588  10.119  -0.368
  553   HD21  LEU  29          HD21      LEU  29 -10.650   8.143  -3.283
  554   HD22  LEU  29          HD22      LEU  29 -10.903   6.997  -1.966
  555   HD23  LEU  29          HD23      LEU  29 -12.282   7.813  -2.704
  556    H    ASN  30           H        ASN  30 -15.030  10.505   0.781
  557    HA   ASN  30           HA       ASN  30 -15.381   9.114   3.310
  558    HB2  ASN  30           HB2      ASN  30 -17.575  10.026   3.393
  559    HB3  ASN  30           HB3      ASN  30 -16.563  11.310   2.744
  560   HD21  ASN  30          HD21      ASN  30 -16.868  11.991   0.648
  561   HD22  ASN  30          HD22      ASN  30 -18.216  11.490  -0.315
  562    H    LYS  31           H        LYS  31 -17.809   7.934   3.112
  563    HA   LYS  31           HA       LYS  31 -17.354   5.426   2.119
  564    HB2  LYS  31           HB2      LYS  31 -20.041   6.794   2.234
  565    HB3  LYS  31           HB3      LYS  31 -19.770   5.061   2.190
  566    HG2  LYS  31           HG2      LYS  31 -18.671   5.174   4.371
  567    HG3  LYS  31           HG3      LYS  31 -18.950   6.920   4.411
  568    HD2  LYS  31           HD2      LYS  31 -21.098   4.804   4.257
  569    HD3  LYS  31           HD3      LYS  31 -20.641   5.697   5.708
  570    HE2  LYS  31           HE2      LYS  31 -21.352   7.772   4.715
  571    HE3  LYS  31           HE3      LYS  31 -21.662   6.976   3.175
  572    HZ1  LYS  31           HZ1      LYS  31 -23.692   7.368   4.440
  573    HZ2  LYS  31           HZ2      LYS  31 -23.106   6.400   5.705
  574    HZ3  LYS  31           HZ3      LYS  31 -23.424   5.715   4.189
  575    H    SER  32           H        SER  32 -19.073   8.058   0.458
  576    HA   SER  32           HA       SER  32 -19.770   6.491  -1.798
  577    HB2  SER  32           HB2      SER  32 -20.977   8.546  -1.024
  578    HB3  SER  32           HB3      SER  32 -19.623   9.506  -1.616
  579    HG   SER  32           HG       SER  32 -21.126   9.455  -3.234
  580    H    GLU  33           H        GLU  33 -17.004   8.512  -1.036
  581    HA   GLU  33           HA       GLU  33 -16.088   8.744  -3.737
  582    HB2  GLU  33           HB2      GLU  33 -14.527   9.109  -1.165
  583    HB3  GLU  33           HB3      GLU  33 -14.064   9.687  -2.761
  584    HG2  GLU  33           HG2      GLU  33 -16.383  10.638  -1.096
  585    HG3  GLU  33           HG3      GLU  33 -14.903  11.519  -1.464
  586    H    LEU  34           H        LEU  34 -15.249   6.781  -0.924
  587    HA   LEU  34           HA       LEU  34 -13.276   5.211  -2.198
  588    HB2  LEU  34           HB2      LEU  34 -14.941   4.936   0.263
  589    HB3  LEU  34           HB3      LEU  34 -14.063   3.538  -0.327
  590    HG   LEU  34           HG       LEU  34 -12.746   6.174   0.284
  591   HD11  LEU  34          HD11      LEU  34 -11.952   5.052   2.339
  592   HD12  LEU  34          HD12      LEU  34 -13.697   5.325   2.321
  593   HD13  LEU  34          HD13      LEU  34 -13.053   3.714   1.998
  594   HD21  LEU  34          HD21      LEU  34 -10.715   4.826   0.239
  595   HD22  LEU  34          HD22      LEU  34 -11.667   3.396  -0.161
  596   HD23  LEU  34          HD23      LEU  34 -11.578   4.743  -1.298
  597    H    LYS  35           H        LYS  35 -16.776   4.927  -1.949
  598    HA   LYS  35           HA       LYS  35 -16.963   2.301  -2.909
  599    HB2  LYS  35           HB2      LYS  35 -18.831   3.623  -1.853
  600    HB3  LYS  35           HB3      LYS  35 -18.996   4.487  -3.376
  601    HG2  LYS  35           HG2      LYS  35 -19.697   2.551  -4.519
  602    HG3  LYS  35           HG3      LYS  35 -19.192   1.497  -3.197
  603    HD2  LYS  35           HD2      LYS  35 -21.593   1.710  -3.178
  604    HD3  LYS  35           HD3      LYS  35 -20.926   2.528  -1.765
  605    HE2  LYS  35           HE2      LYS  35 -21.091   4.672  -2.986
  606    HE3  LYS  35           HE3      LYS  35 -21.849   3.813  -4.325
  607    HZ1  LYS  35           HZ1      LYS  35 -23.632   3.148  -2.813
  608    HZ2  LYS  35           HZ2      LYS  35 -23.514   4.832  -2.946
  609    HZ3  LYS  35           HZ3      LYS  35 -22.919   4.049  -1.560
  610    H    GLU  36           H        GLU  36 -17.174   5.388  -4.712
  611    HA   GLU  36           HA       GLU  36 -17.295   4.125  -7.230
  612    HB2  GLU  36           HB2      GLU  36 -16.690   6.880  -6.298
  613    HB3  GLU  36           HB3      GLU  36 -16.213   6.445  -7.937
  614    HG2  GLU  36           HG2      GLU  36 -18.448   5.850  -8.498
  615    HG3  GLU  36           HG3      GLU  36 -18.987   6.088  -6.836
  616    H    LEU  37           H        LEU  37 -14.602   5.014  -5.182
  617    HA   LEU  37           HA       LEU  37 -12.477   4.584  -6.932
  618    HB2  LEU  37           HB2      LEU  37 -12.454   5.366  -4.493
  619    HB3  LEU  37           HB3      LEU  37 -12.522   3.668  -4.065
  620    HG   LEU  37           HG       LEU  37 -10.411   3.586  -5.699
  621   HD11  LEU  37          HD11      LEU  37 -10.511   5.966  -6.216
  622   HD12  LEU  37          HD12      LEU  37 -10.344   6.350  -4.503
  623   HD13  LEU  37          HD13      LEU  37  -9.022   5.558  -5.361
  624   HD21  LEU  37          HD21      LEU  37 -10.401   4.404  -2.799
  625   HD22  LEU  37          HD22      LEU  37 -10.425   2.759  -3.436
  626   HD23  LEU  37          HD23      LEU  37  -9.006   3.777  -3.678
  627    H    LEU  38           H        LEU  38 -14.008   2.276  -4.708
  628    HA   LEU  38           HA       LEU  38 -12.539   0.062  -5.728
  629    HB2  LEU  38           HB2      LEU  38 -14.812   0.334  -3.797
  630    HB3  LEU  38           HB3      LEU  38 -14.257  -1.245  -4.319
  631    HG   LEU  38           HG       LEU  38 -11.934   0.093  -3.536
  632   HD11  LEU  38          HD11      LEU  38 -14.141   0.572  -1.547
  633   HD12  LEU  38          HD12      LEU  38 -12.419   0.818  -1.259
  634   HD13  LEU  38          HD13      LEU  38 -13.263   1.808  -2.448
  635   HD21  LEU  38          HD21      LEU  38 -12.416  -2.274  -3.245
  636   HD22  LEU  38          HD22      LEU  38 -11.923  -1.538  -1.719
  637   HD23  LEU  38          HD23      LEU  38 -13.624  -1.887  -2.020
  638    H    THR  39           H        THR  39 -15.802   1.273  -6.336
  639    HA   THR  39           HA       THR  39 -16.757  -1.057  -7.622
  640    HB   THR  39           HB       THR  39 -18.468   0.453  -8.679
  641    HG1  THR  39           HG1      THR  39 -17.316   2.487  -7.063
  642   HG21  THR  39          HG21      THR  39 -18.876  -0.592  -6.503
  643   HG22  THR  39          HG22      THR  39 -19.594   1.018  -6.583
  644   HG23  THR  39          HG23      THR  39 -18.086   0.768  -5.702
  645    H    ARG  40           H        ARG  40 -14.828   1.607  -8.726
  646    HA   ARG  40           HA       ARG  40 -15.241   0.921 -11.516
  647    HB2  ARG  40           HB2      ARG  40 -13.628   3.109 -10.209
  648    HB3  ARG  40           HB3      ARG  40 -13.804   2.903 -11.947
  649    HG2  ARG  40           HG2      ARG  40 -16.105   3.336 -10.053
  650    HG3  ARG  40           HG3      ARG  40 -15.304   4.620 -10.962
  651    HD2  ARG  40           HD2      ARG  40 -16.505   2.204 -12.283
  652    HD3  ARG  40           HD3      ARG  40 -17.438   3.663 -11.952
  653    HE   ARG  40           HE       ARG  40 -15.647   4.824 -13.320
  654   HH11  ARG  40          HH12      ARG  40 -16.532   1.477 -13.860
  655   HH12  ARG  40          HH11      ARG  40 -16.130   1.522 -15.557
  656   HH21  ARG  40          HH22      ARG  40 -15.147   4.891 -15.529
  657   HH22  ARG  40          HH21      ARG  40 -15.358   3.466 -16.510
  658    H    GLU  41           H        GLU  41 -12.499   1.089  -9.226
  659    HA   GLU  41           HA       GLU  41 -10.871  -0.256 -11.253
  660    HB2  GLU  41           HB2      GLU  41 -10.318   1.714  -9.226
  661    HB3  GLU  41           HB3      GLU  41  -9.237   0.339  -9.073
  662    HG2  GLU  41           HG2      GLU  41  -8.049   1.620 -10.509
  663    HG3  GLU  41           HG3      GLU  41  -8.963   0.640 -11.652
  664    H    LEU  42           H        LEU  42 -12.332  -0.899  -8.154
  665    HA   LEU  42           HA       LEU  42 -10.719  -3.369  -7.987
  666    HB2  LEU  42           HB2      LEU  42 -11.957  -1.894  -5.663
  667    HB3  LEU  42           HB3      LEU  42 -10.935  -3.314  -5.571
  668    HG   LEU  42           HG       LEU  42  -9.193  -1.697  -6.752
  669   HD11  LEU  42          HD11      LEU  42 -11.081   0.132  -6.677
  670   HD12  LEU  42          HD12      LEU  42 -10.573   0.293  -4.995
  671   HD13  LEU  42          HD13      LEU  42  -9.400   0.563  -6.295
  672   HD21  LEU  42          HD21      LEU  42  -8.948  -2.900  -4.623
  673   HD22  LEU  42          HD22      LEU  42  -8.287  -1.266  -4.545
  674   HD23  LEU  42          HD23      LEU  42  -9.852  -1.620  -3.812
  675    HA   PRO  43           HA       PRO  43 -15.484  -4.108  -8.051
  676    HB2  PRO  43           HB2      PRO  43 -14.960  -5.631 -10.525
  677    HB3  PRO  43           HB3      PRO  43 -16.226  -4.450 -10.180
  678    HG2  PRO  43           HG2      PRO  43 -14.188  -3.865 -11.807
  679    HG3  PRO  43           HG3      PRO  43 -14.877  -2.649 -10.712
  680    HD2  PRO  43           HD2      PRO  43 -12.369  -4.261 -10.418
  681    HD3  PRO  43           HD3      PRO  43 -12.652  -2.544 -10.062
  682    H    SER  44           H        SER  44 -12.786  -6.187  -8.999
  683    HA   SER  44           HA       SER  44 -13.946  -8.629  -8.196
  684    HB2  SER  44           HB2      SER  44 -11.011  -7.894  -8.337
  685    HB3  SER  44           HB3      SER  44 -11.681  -9.527  -8.343
  686    HG   SER  44           HG       SER  44 -11.519  -9.182 -10.443
  687    H    PHE  45           H        PHE  45 -12.429  -6.053  -6.446
  688    HA   PHE  45           HA       PHE  45 -12.044  -7.658  -4.048
  689    HB2  PHE  45           HB2      PHE  45 -11.569  -4.701  -4.509
  690    HB3  PHE  45           HB3      PHE  45 -11.110  -5.609  -3.073
  691    HD1  PHE  45           HD1      PHE  45  -9.275  -7.187  -3.122
  692    HD2  PHE  45           HD2      PHE  45 -10.312  -4.908  -6.562
  693    HE1  PHE  45           HE1      PHE  45  -7.116  -7.767  -4.156
  694    HE2  PHE  45           HE2      PHE  45  -8.155  -5.478  -7.600
  695    HZ   PHE  45           HZ       PHE  45  -6.555  -6.911  -6.397
  696    H    LEU  46           H        LEU  46 -14.637  -6.575  -5.469
  697    HA   LEU  46           HA       LEU  46 -15.989  -6.035  -2.916
  698    HB2  LEU  46           HB2      LEU  46 -16.948  -5.206  -5.655
  699    HB3  LEU  46           HB3      LEU  46 -17.680  -4.783  -4.108
  700    HG   LEU  46           HG       LEU  46 -14.946  -3.878  -5.038
  701   HD11  LEU  46          HD11      LEU  46 -15.982  -1.683  -5.282
  702   HD12  LEU  46          HD12      LEU  46 -16.722  -2.869  -6.359
  703   HD13  LEU  46          HD13      LEU  46 -17.554  -2.378  -4.884
  704   HD21  LEU  46          HD21      LEU  46 -15.092  -2.354  -3.106
  705   HD22  LEU  46          HD22      LEU  46 -16.592  -3.147  -2.615
  706   HD23  LEU  46          HD23      LEU  46 -15.076  -4.053  -2.623
  707    H    GLY  47           H        GLY  47 -16.262  -7.496  -6.104
  708    HA2  GLY  47           HA2      GLY  47 -16.558  -9.844  -6.323
  709    HA3  GLY  47           HA3      GLY  47 -17.395  -9.842  -4.780
  710    H    LYS  48           H        LYS  48 -19.197  -7.664  -5.454
  711    HA   LYS  48           HA       LYS  48 -20.805  -8.331  -7.665
  712    HB2  LYS  48           HB2      LYS  48 -21.305  -9.891  -5.169
  713    HB3  LYS  48           HB3      LYS  48 -22.698  -9.322  -6.070
  714    HG2  LYS  48           HG2      LYS  48 -20.517 -11.128  -7.090
  715    HG3  LYS  48           HG3      LYS  48 -22.171 -11.589  -6.687
  716    HD2  LYS  48           HD2      LYS  48 -23.017 -10.160  -8.473
  717    HD3  LYS  48           HD3      LYS  48 -21.371  -9.651  -8.859
  718    HE2  LYS  48           HE2      LYS  48 -20.818 -12.030  -9.328
  719    HE3  LYS  48           HE3      LYS  48 -22.517 -12.429  -9.092
  720    HZ1  LYS  48           HZ1      LYS  48 -21.453 -10.568 -11.152
  721    HZ2  LYS  48           HZ2      LYS  48 -23.084 -10.980 -10.938
  722    HZ3  LYS  48           HZ3      LYS  48 -21.968 -12.157 -11.429
  723    H    ARG  49           H        ARG  49 -21.632  -7.850  -4.264
  724    HA   ARG  49           HA       ARG  49 -23.325  -5.590  -5.133
  725    HB2  ARG  49           HB2      ARG  49 -24.730  -6.182  -3.124
  726    HB3  ARG  49           HB3      ARG  49 -24.720  -7.374  -4.417
  727    HG2  ARG  49           HG2      ARG  49 -23.672  -8.929  -3.164
  728    HG3  ARG  49           HG3      ARG  49 -22.695  -7.739  -2.309
  729    HD2  ARG  49           HD2      ARG  49 -24.573  -7.127  -0.926
  730    HD3  ARG  49           HD3      ARG  49 -25.630  -8.202  -1.829
  731    HE   ARG  49           HE       ARG  49 -24.255 -10.062  -0.953
  732   HH11  ARG  49          HH12      ARG  49 -24.122  -6.968   0.695
  733   HH12  ARG  49          HH11      ARG  49 -23.752  -7.669   2.245
  734   HH21  ARG  49          HH22      ARG  49 -23.796 -10.980   1.083
  735   HH22  ARG  49          HH21      ARG  49 -23.606  -9.954   2.475
  736    H    THR  50           H        THR  50 -21.931  -3.870  -4.705
  737    HA   THR  50           HA       THR  50 -21.049  -3.715  -1.913
  738    HB   THR  50           HB       THR  50 -19.690  -1.711  -3.218
  739    HG1  THR  50           HG1      THR  50 -20.458  -2.877  -5.203
  740   HG21  THR  50          HG21      THR  50 -18.891  -4.543  -2.565
  741   HG22  THR  50          HG22      THR  50 -18.885  -3.175  -1.454
  742   HG23  THR  50          HG23      THR  50 -17.780  -3.202  -2.827
  743    H    ASP  51           H        ASP  51 -22.604  -2.845  -0.896
  744    HA   ASP  51           HA       ASP  51 -23.499  -0.154  -1.679
  745    HB2  ASP  51           HB2      ASP  51 -24.820  -2.310  -0.030
  746    HB3  ASP  51           HB3      ASP  51 -25.344  -0.632   0.050
  747    H    GLU  52           H        GLU  52 -24.323   0.890   0.614
  748    HA   GLU  52           HA       GLU  52 -21.996   1.684   1.942
  749    HB2  GLU  52           HB2      GLU  52 -24.811   1.795   3.034
  750    HB3  GLU  52           HB3      GLU  52 -23.458   2.816   3.498
  751    HG2  GLU  52           HG2      GLU  52 -24.669   2.759   0.748
  752    HG3  GLU  52           HG3      GLU  52 -25.113   3.908   2.004
  753    H    ALA  53           H        ALA  53 -24.141  -0.998   2.497
  754    HA   ALA  53           HA       ALA  53 -23.503  -1.639   5.140
  755    HB1  ALA  53           HB1      ALA  53 -24.202  -3.531   2.901
  756    HB2  ALA  53           HB2      ALA  53 -24.309  -3.873   4.628
  757    HB3  ALA  53           HB3      ALA  53 -25.355  -2.651   3.904
  758    H    ALA  54           H        ALA  54 -21.939  -2.750   2.120
  759    HA   ALA  54           HA       ALA  54 -20.004  -4.300   3.574
  760    HB1  ALA  54           HB1      ALA  54 -18.929  -4.686   1.417
  761    HB2  ALA  54           HB2      ALA  54 -20.671  -4.995   1.330
  762    HB3  ALA  54           HB3      ALA  54 -20.003  -3.501   0.664
  763    H    PHE  55           H        PHE  55 -20.202  -1.087   2.266
  764    HA   PHE  55           HA       PHE  55 -17.391  -0.565   2.518
  765    HB2  PHE  55           HB2      PHE  55 -19.784   1.016   1.704
  766    HB3  PHE  55           HB3      PHE  55 -18.327   1.885   2.183
  767    HD1  PHE  55           HD2      PHE  55 -19.741  -0.501  -0.230
  768    HD2  PHE  55           HD1      PHE  55 -16.379   1.872   0.835
  769    HE1  PHE  55           HE2      PHE  55 -18.743  -0.928  -2.438
  770    HE2  PHE  55           HE1      PHE  55 -15.379   1.450  -1.367
  771    HZ   PHE  55           HZ       PHE  55 -16.560   0.049  -3.008
  772    H    GLN  56           H        GLN  56 -20.057  -0.500   4.637
  773    HA   GLN  56           HA       GLN  56 -19.236   1.499   6.428
  774    HB2  GLN  56           HB2      GLN  56 -21.476   0.430   6.423
  775    HB3  GLN  56           HB3      GLN  56 -20.748  -1.041   7.055
  776    HG2  GLN  56           HG2      GLN  56 -20.124   0.083   9.085
  777    HG3  GLN  56           HG3      GLN  56 -20.689   1.625   8.447
  778   HE21  GLN  56          HE21      GLN  56 -23.026   0.412   7.187
  779   HE22  GLN  56          HE22      GLN  56 -24.141   0.078   8.467
  780    H    LYS  57           H        LYS  57 -18.511  -1.982   6.329
  781    HA   LYS  57           HA       LYS  57 -16.901  -1.936   8.683
  782    HB2  LYS  57           HB2      LYS  57 -17.741  -3.904   6.723
  783    HB3  LYS  57           HB3      LYS  57 -16.047  -4.102   7.142
  784    HG2  LYS  57           HG2      LYS  57 -18.187  -3.891   9.236
  785    HG3  LYS  57           HG3      LYS  57 -17.764  -5.424   8.475
  786    HD2  LYS  57           HD2      LYS  57 -16.378  -5.516  10.290
  787    HD3  LYS  57           HD3      LYS  57 -15.310  -4.673   9.167
  788    HE2  LYS  57           HE2      LYS  57 -15.891  -2.548  10.151
  789    HE3  LYS  57           HE3      LYS  57 -17.086  -3.317  11.194
  790    HZ1  LYS  57           HZ1      LYS  57 -15.105  -2.906  12.441
  791    HZ2  LYS  57           HZ2      LYS  57 -14.137  -3.683  11.291
  792    HZ3  LYS  57           HZ3      LYS  57 -15.237  -4.584  12.215
  793    H    LEU  58           H        LEU  58 -16.330  -1.619   5.248
  794    HA   LEU  58           HA       LEU  58 -13.534  -1.650   5.229
  795    HB2  LEU  58           HB2      LEU  58 -14.843  -1.717   3.180
  796    HB3  LEU  58           HB3      LEU  58 -15.485  -0.117   3.499
  797    HG   LEU  58           HG       LEU  58 -13.342   0.897   3.119
  798   HD11  LEU  58          HD11      LEU  58 -11.980  -0.840   4.161
  799   HD12  LEU  58          HD12      LEU  58 -12.279  -1.903   2.789
  800   HD13  LEU  58          HD13      LEU  58 -11.368  -0.409   2.564
  801   HD21  LEU  58          HD21      LEU  58 -14.573   0.557   1.112
  802   HD22  LEU  58          HD22      LEU  58 -12.900   0.129   0.766
  803   HD23  LEU  58          HD23      LEU  58 -14.100  -1.136   1.022
  804    H    MET  59           H        MET  59 -15.538   1.250   4.937
  805    HA   MET  59           HA       MET  59 -13.954   3.263   5.677
  806    HB2  MET  59           HB2      MET  59 -16.593   3.006   5.333
  807    HB3  MET  59           HB3      MET  59 -16.569   3.157   7.085
  808    HG2  MET  59           HG2      MET  59 -16.891   5.310   6.045
  809    HG3  MET  59           HG3      MET  59 -15.339   5.250   6.885
  810    HE1  MET  59           HE1      MET  59 -13.752   7.274   4.285
  811    HE2  MET  59           HE2      MET  59 -15.402   7.640   4.817
  812    HE3  MET  59           HE3      MET  59 -14.227   6.994   5.969
  813    H    SER  60           H        SER  60 -15.598   1.112   7.955
  814    HA   SER  60           HA       SER  60 -14.807   2.315  10.339
  815    HB2  SER  60           HB2      SER  60 -15.475  -0.531   9.649
  816    HB3  SER  60           HB3      SER  60 -15.105  -0.010  11.283
  817    HG   SER  60           HG       SER  60 -17.184   0.994   9.621
  818    H    ASN  61           H        ASN  61 -13.355  -0.540   8.778
  819    HA   ASN  61           HA       ASN  61 -11.279  -0.786  10.700
  820    HB2  ASN  61           HB2      ASN  61 -11.518  -1.929   7.908
  821    HB3  ASN  61           HB3      ASN  61 -10.296  -2.405   9.080
  822   HD21  ASN  61          HD21      ASN  61 -12.288  -4.053   7.809
  823   HD22  ASN  61          HD22      ASN  61 -13.233  -4.738   9.090
  824    H    LEU  62           H        LEU  62 -11.777   1.259   8.126
  825    HA   LEU  62           HA       LEU  62  -8.948   1.720   7.527
  826    HB2  LEU  62           HB2      LEU  62 -11.502   2.325   6.262
  827    HB3  LEU  62           HB3      LEU  62 -10.415   3.700   6.261
  828    HG   LEU  62           HG       LEU  62  -8.735   2.436   5.066
  829   HD11  LEU  62          HD11      LEU  62 -10.675   0.135   5.198
  830   HD12  LEU  62          HD12      LEU  62  -9.163   0.162   4.292
  831   HD13  LEU  62          HD13      LEU  62  -9.137   0.245   6.054
  832   HD21  LEU  62          HD21      LEU  62 -10.457   3.578   3.772
  833   HD22  LEU  62          HD22      LEU  62  -9.935   2.100   2.965
  834   HD23  LEU  62          HD23      LEU  62 -11.469   2.134   3.832
  835    H    ASP  63           H        ASP  63 -11.704   3.352   8.933
  836    HA   ASP  63           HA       ASP  63 -10.458   5.841   9.392
  837    HB2  ASP  63           HB2      ASP  63 -12.882   5.552   9.232
  838    HB3  ASP  63           HB3      ASP  63 -12.874   4.566  10.686
  839    H    SER  64           H        SER  64  -8.488   5.442  10.398
  840    HA   SER  64           HA       SER  64  -8.478   4.182  13.025
  841    HB2  SER  64           HB2      SER  64  -6.097   4.206  12.854
  842    HB3  SER  64           HB3      SER  64  -6.682   3.809  11.241
  843    HG   SER  64           HG       SER  64  -6.430   6.067  10.723
  844    H    ASN  65           H        ASN  65  -8.429   7.258  11.503
  845    HA   ASN  65           HA       ASN  65  -7.595   8.777  13.787
  846    HB2  ASN  65           HB2      ASN  65  -8.119  10.720  12.444
  847    HB3  ASN  65           HB3      ASN  65  -7.295   9.538  11.433
  848   HD21  ASN  65          HD21      ASN  65  -8.542   8.336   9.909
  849   HD22  ASN  65          HD22      ASN  65 -10.048   8.966   9.320
  850    H    ARG  66           H        ARG  66 -10.488   7.363  12.714
  851    HA   ARG  66           HA       ARG  66 -12.467   7.027  13.725
  852    HB2  ARG  66           HB2      ARG  66 -11.270   8.515  16.065
  853    HB3  ARG  66           HB3      ARG  66 -12.766   7.590  16.098
  854    HG2  ARG  66           HG2      ARG  66  -9.957   6.580  15.790
  855    HG3  ARG  66           HG3      ARG  66 -11.131   6.202  17.051
  856    HD2  ARG  66           HD2      ARG  66 -11.223   5.360  14.158
  857    HD3  ARG  66           HD3      ARG  66 -10.947   4.326  15.557
  858    HE   ARG  66           HE       ARG  66 -13.402   5.497  15.983
  859   HH11  ARG  66          HH12      ARG  66 -11.960   3.518  13.480
  860   HH12  ARG  66          HH11      ARG  66 -13.449   2.732  13.065
  861   HH21  ARG  66          HH22      ARG  66 -15.372   4.505  15.404
  862   HH22  ARG  66          HH21      ARG  66 -15.396   3.282  14.172
  863    H    ASP  67           H        ASP  67 -12.433   9.004  11.915
  864    HA   ASP  67           HA       ASP  67 -14.508  10.768  13.050
  865    HB2  ASP  67           HB2      ASP  67 -12.356  11.524  11.076
  866    HB3  ASP  67           HB3      ASP  67 -13.832  12.461  11.272
  867    H    ASN  68           H        ASN  68 -13.947   8.239  11.132
  868    HA   ASN  68           HA       ASN  68 -15.060   7.183   9.448
  869    HB2  ASN  68           HB2      ASN  68 -17.101   9.336  10.034
  870    HB3  ASN  68           HB3      ASN  68 -17.332   8.122   8.794
  871   HD21  ASN  68          HD21      ASN  68 -15.590   7.122  11.504
  872   HD22  ASN  68          HD22      ASN  68 -16.848   6.232  12.288
  873    H    GLU  69           H        GLU  69 -13.108   9.234   9.004
  874    HA   GLU  69           HA       GLU  69 -13.798   9.944   6.233
  875    HB2  GLU  69           HB2      GLU  69 -12.206  11.623   8.185
  876    HB3  GLU  69           HB3      GLU  69 -12.480  12.008   6.494
  877    HG2  GLU  69           HG2      GLU  69 -14.858  12.259   6.916
  878    HG3  GLU  69           HG3      GLU  69 -14.614  11.818   8.608
  879    H    VAL  70           H        VAL  70 -12.424   8.907   4.877
  880    HA   VAL  70           HA       VAL  70  -9.932   7.883   5.943
  881    HB   VAL  70           HB       VAL  70 -11.218   7.536   3.242
  882   HG11  VAL  70          HG11      VAL  70  -8.801   7.572   2.941
  883   HG12  VAL  70          HG12      VAL  70  -8.617   6.378   4.225
  884   HG13  VAL  70          HG13      VAL  70  -9.436   5.942   2.726
  885   HG21  VAL  70          HG21      VAL  70 -11.417   5.205   3.958
  886   HG22  VAL  70          HG22      VAL  70 -10.671   5.622   5.501
  887   HG23  VAL  70          HG23      VAL  70 -12.242   6.297   5.071
  888    H    ASP  71           H        ASP  71  -8.613   9.524   6.282
  889    HA   ASP  71           HA       ASP  71  -7.831  11.415   4.276
  890    HB2  ASP  71           HB2      ASP  71  -7.562  11.702   6.780
  891    HB3  ASP  71           HB3      ASP  71  -6.296  10.480   6.723
  892    H    PHE  72           H        PHE  72  -5.355  11.327   3.571
  893    HA   PHE  72           HA       PHE  72  -5.026   9.030   2.000
  894    HB2  PHE  72           HB2      PHE  72  -3.912  11.232   1.580
  895    HB3  PHE  72           HB3      PHE  72  -2.780  10.840   2.878
  896    HD1  PHE  72           HD1      PHE  72  -4.293   8.922   0.088
  897    HD2  PHE  72           HD2      PHE  72  -0.735  10.185   2.040
  898    HE1  PHE  72           HE1      PHE  72  -2.978   7.569  -1.470
  899    HE2  PHE  72           HE2      PHE  72   0.585   8.848   0.462
  900    HZ   PHE  72           HZ       PHE  72  -0.500   7.531  -1.249
  901    H    GLN  73           H        GLN  73  -3.955   9.775   5.230
  902    HA   GLN  73           HA       GLN  73  -2.153   7.750   5.766
  903    HB2  GLN  73           HB2      GLN  73  -4.344   8.787   7.579
  904    HB3  GLN  73           HB3      GLN  73  -2.959   7.848   8.107
  905    HG2  GLN  73           HG2      GLN  73  -2.855  10.586   6.863
  906    HG3  GLN  73           HG3      GLN  73  -2.706  10.226   8.581
  907   HE21  GLN  73          HE21      GLN  73  -1.165  10.191   5.505
  908   HE22  GLN  73          HE22      GLN  73   0.416   9.766   6.067
  909    H    GLU  74           H        GLU  74  -5.708   7.646   5.950
  910    HA   GLU  74           HA       GLU  74  -5.738   4.900   6.810
  911    HB2  GLU  74           HB2      GLU  74  -8.179   6.193   5.691
  912    HB3  GLU  74           HB3      GLU  74  -8.001   5.194   7.126
  913    HG2  GLU  74           HG2      GLU  74  -7.108   8.056   6.902
  914    HG3  GLU  74           HG3      GLU  74  -8.627   7.528   7.616
  915    H    TYR  75           H        TYR  75  -5.682   6.634   3.898
  916    HA   TYR  75           HA       TYR  75  -6.968   4.721   2.215
  917    HB2  TYR  75           HB2      TYR  75  -6.772   7.198   1.796
  918    HB3  TYR  75           HB3      TYR  75  -5.073   6.938   1.435
  919    HD1  TYR  75           HD1      TYR  75  -4.532   5.274  -0.456
  920    HD2  TYR  75           HD2      TYR  75  -8.369   7.037   0.137
  921    HE1  TYR  75           HE1      TYR  75  -5.105   4.765  -2.793
  922    HE2  TYR  75           HE2      TYR  75  -8.943   6.533  -2.219
  923    HH   TYR  75           HH       TYR  75  -7.832   6.096  -4.333
  924    H    CYS  76           H        CYS  76  -3.600   5.532   2.977
  925    HA   CYS  76           HA       CYS  76  -2.341   3.745   1.220
  926    HB2  CYS  76           HB2      CYS  76  -1.453   4.652   3.954
  927    HB3  CYS  76           HB3      CYS  76  -0.422   3.886   2.755
  928    HG   CYS  76           HG       CYS  76  -1.521   6.242   1.041
  929    H    VAL  77           H        VAL  77  -3.395   3.294   4.556
  930    HA   VAL  77           HA       VAL  77  -2.498   0.585   4.613
  931    HB   VAL  77           HB       VAL  77  -3.612   0.467   6.800
  932   HG11  VAL  77          HG11      VAL  77  -1.907   2.890   6.249
  933   HG12  VAL  77          HG12      VAL  77  -2.229   2.243   7.859
  934   HG13  VAL  77          HG13      VAL  77  -1.357   1.267   6.679
  935   HG21  VAL  77          HG21      VAL  77  -5.540   1.904   6.347
  936   HG22  VAL  77          HG22      VAL  77  -4.641   2.480   7.752
  937   HG23  VAL  77          HG23      VAL  77  -4.473   3.301   6.200
  938    H    PHE  78           H        PHE  78  -5.421   2.170   3.653
  939    HA   PHE  78           HA       PHE  78  -7.193   0.040   3.593
  940    HB2  PHE  78           HB2      PHE  78  -7.982   2.198   2.949
  941    HB3  PHE  78           HB3      PHE  78  -6.731   2.372   1.727
  942    HD1  PHE  78           HD1      PHE  78  -9.449  -0.118   2.435
  943    HD2  PHE  78           HD2      PHE  78  -7.473   2.403  -0.362
  944    HE1  PHE  78           HE1      PHE  78 -11.015  -0.849   0.674
  945    HE2  PHE  78           HE2      PHE  78  -9.016   1.684  -2.121
  946    HZ   PHE  78           HZ       PHE  78 -10.797   0.061  -1.607
  947    H    LEU  79           H        LEU  79  -4.995   1.112   1.013
  948    HA   LEU  79           HA       LEU  79  -5.567  -1.127  -0.612
  949    HB2  LEU  79           HB2      LEU  79  -3.541   1.067  -0.747
  950    HB3  LEU  79           HB3      LEU  79  -3.536  -0.252  -1.909
  951    HG   LEU  79           HG       LEU  79  -5.743   1.730  -1.415
  952   HD11  LEU  79          HD11      LEU  79  -4.080   1.098  -3.850
  953   HD12  LEU  79          HD12      LEU  79  -5.389   2.277  -3.768
  954   HD13  LEU  79          HD13      LEU  79  -3.918   2.524  -2.825
  955   HD21  LEU  79          HD21      LEU  79  -7.045   0.485  -3.030
  956   HD22  LEU  79          HD22      LEU  79  -5.746  -0.697  -3.203
  957   HD23  LEU  79          HD23      LEU  79  -6.613  -0.565  -1.673
  958    H    SER  80           H        SER  80  -2.717  -0.344   1.365
  959    HA   SER  80           HA       SER  80  -1.246  -2.569   0.481
  960    HB2  SER  80           HB2      SER  80  -1.064  -0.976   3.029
  961    HB3  SER  80           HB3      SER  80   0.128  -2.171   2.509
  962    HG   SER  80           HG       SER  80   0.956  -0.651   1.351
  963    H    CYS  81           H        CYS  81  -3.730  -2.240   2.900
  964    HA   CYS  81           HA       CYS  81  -3.306  -4.898   3.906
  965    HB2  CYS  81           HB2      CYS  81  -5.459  -2.850   4.325
  966    HB3  CYS  81           HB3      CYS  81  -5.552  -4.470   5.024
  967    HG   CYS  81           HG       CYS  81  -3.384  -1.958   5.740
  968    H    ILE  82           H        ILE  82  -4.901  -3.511   1.202
  969    HA   ILE  82           HA       ILE  82  -6.543  -5.856   0.774
  970    HB   ILE  82           HB       ILE  82  -5.930  -3.852  -1.393
  971   HG12  ILE  82          HG12      ILE  82  -8.009  -3.644   0.792
  972   HG13  ILE  82          HG13      ILE  82  -6.682  -2.523   0.492
  973   HG21  ILE  82          HG21      ILE  82  -8.420  -5.447  -0.794
  974   HG22  ILE  82          HG22      ILE  82  -8.048  -4.547  -2.265
  975   HG23  ILE  82          HG23      ILE  82  -7.133  -6.004  -1.875
  976   HD11  ILE  82          HD11      ILE  82  -8.776  -1.624  -0.313
  977   HD12  ILE  82          HD12      ILE  82  -7.676  -1.934  -1.658
  978   HD13  ILE  82          HD13      ILE  82  -9.011  -3.041  -1.337
  979    H    ALA  83           H        ALA  83  -3.282  -4.776  -0.010
  980    HA   ALA  83           HA       ALA  83  -2.526  -6.807  -1.754
  981    HB1  ALA  83           HB1      ALA  83  -0.332  -6.766  -0.659
  982    HB2  ALA  83           HB2      ALA  83  -0.944  -5.132  -0.925
  983    HB3  ALA  83           HB3      ALA  83  -1.020  -5.852   0.683
  984    H    MET  84           H        MET  84  -2.692  -6.881   1.776
  985    HA   MET  84           HA       MET  84  -2.253  -9.630   2.090
  986    HB2  MET  84           HB2      MET  84  -3.521  -7.535   3.802
  987    HB3  MET  84           HB3      MET  84  -3.640  -9.226   4.277
  988    HG2  MET  84           HG2      MET  84  -1.272  -9.438   4.395
  989    HG3  MET  84           HG3      MET  84  -1.039  -7.848   3.672
  990    HE1  MET  84           HE1      MET  84  -1.419  -5.603   4.866
  991    HE2  MET  84           HE2      MET  84  -3.114  -6.049   5.059
  992    HE3  MET  84           HE3      MET  84  -2.203  -5.426   6.439
  993    H    MET  85           H        MET  85  -5.239  -7.820   1.553
  994    HA   MET  85           HA       MET  85  -7.053  -9.956   1.605
  995    HB2  MET  85           HB2      MET  85  -7.640  -7.489   1.227
  996    HB3  MET  85           HB3      MET  85  -7.095  -7.710  -0.415
  997    HG2  MET  85           HG2      MET  85  -8.752  -9.633  -0.567
  998    HG3  MET  85           HG3      MET  85  -9.444  -8.986   0.921
  999    HE1  MET  85           HE1      MET  85 -10.922  -5.636  -0.052
 1000    HE2  MET  85           HE2      MET  85 -10.883  -6.953   1.124
 1001    HE3  MET  85           HE3      MET  85  -9.423  -5.992   0.822
 1002    H    CYS  86           H        CYS  86  -5.115  -8.616  -1.016
 1003    HA   CYS  86           HA       CYS  86  -6.177 -10.262  -3.027
 1004    HB2  CYS  86           HB2      CYS  86  -5.016  -8.045  -3.340
 1005    HB3  CYS  86           HB3      CYS  86  -3.491  -8.892  -3.098
 1006    HG   CYS  86           HG       CYS  86  -4.264 -10.719  -5.296
 1007    H    ASN  87           H        ASN  87  -3.640 -10.836  -0.713
 1008    HA   ASN  87           HA       ASN  87  -2.429 -13.000  -2.124
 1009    HB2  ASN  87           HB2      ASN  87  -1.316 -11.889  -0.212
 1010    HB3  ASN  87           HB3      ASN  87  -2.548 -12.535   0.865
 1011   HD21  ASN  87          HD21      ASN  87  -2.479 -14.696   1.462
 1012   HD22  ASN  87          HD22      ASN  87  -1.124 -15.709   1.100
 1013    H    GLU  88           H        GLU  88  -4.758 -12.882   0.542
 1014    HA   GLU  88           HA       GLU  88  -5.379 -15.619   0.566
 1015    HB2  GLU  88           HB2      GLU  88  -7.063 -13.241   1.379
 1016    HB3  GLU  88           HB3      GLU  88  -7.397 -14.908   1.815
 1017    HG2  GLU  88           HG2      GLU  88  -5.023 -13.260   2.643
 1018    HG3  GLU  88           HG3      GLU  88  -6.353 -13.803   3.663
 1019    H    PHE  89           H        PHE  89  -6.642 -12.904  -1.219
 1020    HA   PHE  89           HA       PHE  89  -8.795 -14.327  -2.452
 1021    HB2  PHE  89           HB2      PHE  89  -8.768 -11.846  -2.054
 1022    HB3  PHE  89           HB3      PHE  89  -7.465 -11.718  -3.236
 1023    HD1  PHE  89           HD2      PHE  89 -11.000 -12.794  -2.891
 1024    HD2  PHE  89           HD1      PHE  89  -7.914 -11.445  -5.493
 1025    HE1  PHE  89           HE2      PHE  89 -12.641 -12.549  -4.708
 1026    HE2  PHE  89           HE1      PHE  89  -9.550 -11.197  -7.311
 1027    HZ   PHE  89           HZ       PHE  89 -11.916 -11.750  -6.920
 1028    H    PHE  90           H        PHE  90  -5.413 -13.831  -3.181
 1029    HA   PHE  90           HA       PHE  90  -5.558 -14.597  -5.943
 1030    HB2  PHE  90           HB2      PHE  90  -3.707 -13.217  -4.915
 1031    HB3  PHE  90           HB3      PHE  90  -3.135 -14.683  -4.130
 1032    HD1  PHE  90           HD2      PHE  90  -3.887 -13.259  -7.476
 1033    HD2  PHE  90           HD1      PHE  90  -1.620 -16.056  -5.212
 1034    HE1  PHE  90           HE2      PHE  90  -2.548 -13.782  -9.472
 1035    HE2  PHE  90           HE1      PHE  90  -0.275 -16.584  -7.201
 1036    HZ   PHE  90           HZ       PHE  90  -0.738 -15.447  -9.336
 1037    H    GLU  91           H        GLU  91  -4.653 -16.210  -2.922
 1038    HA   GLU  91           HA       GLU  91  -4.350 -18.793  -4.061
 1039    HB2  GLU  91           HB2      GLU  91  -5.267 -18.171  -1.245
 1040    HB3  GLU  91           HB3      GLU  91  -4.462 -19.628  -1.803
 1041    HG2  GLU  91           HG2      GLU  91  -3.230 -16.884  -1.671
 1042    HG3  GLU  91           HG3      GLU  91  -2.980 -18.184  -0.508
 1043    H    GLY  92           H        GLY  92  -7.008 -17.086  -2.475
 1044    HA2  GLY  92           HA2      GLY  92  -9.261 -17.143  -3.041
 1045    HA3  GLY  92           HA3      GLY  92  -8.947 -18.520  -4.098
 1046    H    PHE  93           H        PHE  93  -7.391 -19.387  -1.491
 1047    HA   PHE  93           HA       PHE  93  -7.717 -21.251  -0.228
 1048    HB2  PHE  93           HB2      PHE  93  -9.172 -20.677   1.789
 1049    HB3  PHE  93           HB3      PHE  93  -7.783 -19.659   1.466
 1050    HD1  PHE  93           HD1      PHE  93 -11.449 -19.841   1.449
 1051    HD2  PHE  93           HD2      PHE  93  -8.045 -17.360   0.853
 1052    HE1  PHE  93           HE1      PHE  93 -12.891 -17.849   1.525
 1053    HE2  PHE  93           HE2      PHE  93  -9.480 -15.366   0.924
 1054    HZ   PHE  93           HZ       PHE  93 -11.908 -15.610   1.260
 1055    HA   PRO  94           HA       PRO  94 -11.654 -22.954  -1.928
 1056    HB2  PRO  94           HB2      PRO  94 -10.127 -24.808  -3.497
 1057    HB3  PRO  94           HB3      PRO  94 -11.175 -23.512  -4.073
 1058    HG2  PRO  94           HG2      PRO  94  -8.434 -23.559  -4.376
 1059    HG3  PRO  94           HG3      PRO  94  -9.429 -22.093  -4.419
 1060    HD2  PRO  94           HD2      PRO  94  -7.773 -23.202  -2.188
 1061    HD3  PRO  94           HD3      PRO  94  -8.029 -21.512  -2.674
 1062    H    ASP  95           H        ASP  95 -11.816 -23.737   0.226
 1063    HA   ASP  95           HA       ASP  95 -11.626 -25.131   1.996
 1064    HB2  ASP  95           HB2      ASP  95 -12.649 -26.812   0.604
 1065    HB3  ASP  95           HB3      ASP  95 -11.116 -27.158  -0.191
 1066    H    LYS  96           H        LYS  96  -9.806 -23.896   2.654
 1067    HA   LYS  96           HA       LYS  96  -7.291 -25.413   2.443
 1068    HB2  LYS  96           HB2      LYS  96  -7.339 -23.206   1.181
 1069    HB3  LYS  96           HB3      LYS  96  -7.466 -22.410   2.742
 1070    HG2  LYS  96           HG2      LYS  96  -5.227 -24.320   2.273
 1071    HG3  LYS  96           HG3      LYS  96  -5.150 -22.712   1.556
 1072    HD2  LYS  96           HD2      LYS  96  -5.622 -23.227   4.491
 1073    HD3  LYS  96           HD3      LYS  96  -4.032 -22.920   3.788
 1074    HE2  LYS  96           HE2      LYS  96  -4.813 -20.748   2.977
 1075    HE3  LYS  96           HE3      LYS  96  -6.402 -21.056   3.673
 1076    HZ1  LYS  96           HZ1      LYS  96  -3.862 -20.857   5.217
 1077    HZ2  LYS  96           HZ2      LYS  96  -5.417 -21.089   5.862
 1078    HZ3  LYS  96           HZ3      LYS  96  -5.037 -19.637   5.085
 1079    H    GLN  97           H        GLN  97  -7.670 -26.528   4.315
 1080    HA   GLN  97           HA       GLN  97  -8.240 -25.351   6.823
 1081    HB2  GLN  97           HB2      GLN  97  -8.461 -27.771   6.373
 1082    HB3  GLN  97           HB3      GLN  97  -6.718 -27.893   6.174
 1083    HG2  GLN  97           HG2      GLN  97  -6.495 -27.105   8.545
 1084    HG3  GLN  97           HG3      GLN  97  -8.243 -27.279   8.689
 1085   HE21  GLN  97          HE21      GLN  97  -8.073 -28.868  10.263
 1086   HE22  GLN  97          HE22      GLN  97  -7.543 -30.482   9.895
 1087    HA   PRO  98           HA       PRO  98  -4.291 -23.421   7.602
 1088    HB2  PRO  98           HB2      PRO  98  -5.007 -23.555  10.451
 1089    HB3  PRO  98           HB3      PRO  98  -4.740 -22.139   9.432
 1090    HG2  PRO  98           HG2      PRO  98  -7.191 -22.812  10.298
 1091    HG3  PRO  98           HG3      PRO  98  -6.930 -22.086   8.701
 1092    HD2  PRO  98           HD2      PRO  98  -7.389 -24.960   9.424
 1093    HD3  PRO  98           HD3      PRO  98  -8.068 -24.014   8.081
 1094    H    ARG  99           H        ARG  99  -3.935 -25.966   7.091
 1095    HA   ARG  99           HA       ARG  99  -2.579 -27.260   9.325
 1096    HB2  ARG  99           HB2      ARG  99  -3.954 -28.574   7.695
 1097    HB3  ARG  99           HB3      ARG  99  -2.816 -28.128   6.432
 1098    HG2  ARG  99           HG2      ARG  99  -1.033 -29.294   7.625
 1099    HG3  ARG  99           HG3      ARG  99  -2.180 -29.744   8.889
 1100    HD2  ARG  99           HD2      ARG  99  -3.533 -30.910   7.151
 1101    HD3  ARG  99           HD3      ARG  99  -2.250 -30.571   5.990
 1102    HE   ARG  99           HE       ARG  99  -1.081 -31.833   8.178
 1103   HH11  ARG  99          HH12      ARG  99  -3.387 -32.584   5.649
 1104   HH12  ARG  99          HH11      ARG  99  -3.049 -34.287   5.670
 1105   HH21  ARG  99          HH22      ARG  99  -0.609 -34.059   8.186
 1106   HH22  ARG  99          HH21      ARG  99  -1.467 -35.131   7.116
 1107    H    LYS 100           H        LYS 100  -1.893 -25.978   6.111
 1108    HA   LYS 100           HA       LYS 100   0.736 -25.153   7.102
 1109    HB2  LYS 100           HB2      LYS 100   1.061 -26.960   5.473
 1110    HB3  LYS 100           HB3      LYS 100   0.080 -26.092   4.299
 1111    HG2  LYS 100           HG2      LYS 100   1.715 -24.343   4.138
 1112    HG3  LYS 100           HG3      LYS 100   2.659 -25.048   5.450
 1113    HD2  LYS 100           HD2      LYS 100   2.118 -26.365   2.789
 1114    HD3  LYS 100           HD3      LYS 100   3.612 -25.535   3.229
 1115    HE2  LYS 100           HE2      LYS 100   2.466 -27.971   4.591
 1116    HE3  LYS 100           HE3      LYS 100   3.831 -27.956   3.478
 1117    HZ1  LYS 100           HZ1      LYS 100   4.521 -28.024   5.810
 1118    HZ2  LYS 100           HZ2      LYS 100   3.753 -26.540   6.094
 1119    HZ3  LYS 100           HZ3      LYS 100   5.078 -26.619   5.038
 1120    H    LYS 101           H        LYS 101   0.947 -23.047   7.109
 1121    HA   LYS 101           HA       LYS 101   0.569 -20.837   6.825
 1122    HB2  LYS 101           HB2      LYS 101  -0.443 -21.628   4.085
 1123    HB3  LYS 101           HB3      LYS 101   0.015 -20.007   4.590
 1124    HG2  LYS 101           HG2      LYS 101   2.318 -20.847   4.988
 1125    HG3  LYS 101           HG3      LYS 101   1.820 -22.397   4.311
 1126    HD2  LYS 101           HD2      LYS 101   1.215 -21.246   2.212
 1127    HD3  LYS 101           HD3      LYS 101   1.814 -19.734   2.897
 1128    HE2  LYS 101           HE2      LYS 101   3.389 -22.230   2.294
 1129    HE3  LYS 101           HE3      LYS 101   3.530 -20.658   1.508
 1130    HZ1  LYS 101           HZ1      LYS 101   4.205 -19.769   3.737
 1131    HZ2  LYS 101           HZ2      LYS 101   5.312 -20.831   3.021
 1132    HZ3  LYS 101           HZ3      LYS 101   4.313 -21.376   4.276
 1133    H    MET   1           H1       MET   1  -3.269   0.229 -21.534
 1134    HA   MET   1           HA       MET   1  -2.193   1.062 -19.531
 1135    HB2  MET   1           HB2      MET   1  -4.845   2.477 -19.168
 1136    HB3  MET   1           HB3      MET   1  -3.625   2.315 -17.915
 1137    HG2  MET   1           HG2      MET   1  -2.060   3.609 -19.253
 1138    HG3  MET   1           HG3      MET   1  -3.263   3.749 -20.534
 1139    HE1  MET   1           HE1      MET   1  -3.085   7.386 -19.065
 1140    HE2  MET   1           HE2      MET   1  -1.751   6.245 -19.239
 1141    HE3  MET   1           HE3      MET   1  -2.954   6.400 -20.521
 1142    H    ALA   2           H        ALA   2  -2.745   0.161 -17.363
 1143    HA   ALA   2           HA       ALA   2  -4.663  -2.053 -17.618
 1144    HB1  ALA   2           HB1      ALA   2  -3.529  -3.033 -15.688
 1145    HB2  ALA   2           HB2      ALA   2  -2.365  -2.668 -16.963
 1146    HB3  ALA   2           HB3      ALA   2  -2.494  -1.610 -15.557
 1147    H    CYS   3           H        CYS   3  -5.860  -2.502 -15.468
 1148    HA   CYS   3           HA       CYS   3  -7.268  -0.194 -14.628
 1149    HB2  CYS   3           HB2      CYS   3  -7.120  -2.871 -13.226
 1150    HB3  CYS   3           HB3      CYS   3  -8.395  -1.666 -13.075
 1151    HG   CYS   3           HG       CYS   3  -8.717  -4.201 -14.765
 1152    HA   PRO   4           HA       PRO   4  -3.688   1.290 -12.461
 1153    HB2  PRO   4           HB2      PRO   4  -5.792   3.085 -11.346
 1154    HB3  PRO   4           HB3      PRO   4  -4.206   3.502 -12.006
 1155    HG2  PRO   4           HG2      PRO   4  -6.343   3.915 -13.471
 1156    HG3  PRO   4           HG3      PRO   4  -4.921   3.155 -14.218
 1157    HD2  PRO   4           HD2      PRO   4  -7.468   1.892 -13.274
 1158    HD3  PRO   4           HD3      PRO   4  -6.524   1.562 -14.742
 1159    H    LEU   5           H        LEU   5  -6.617   1.567 -10.440
 1160    HA   LEU   5           HA       LEU   5  -5.118   1.181  -8.053
 1161    HB2  LEU   5           HB2      LEU   5  -7.514   2.308  -8.621
 1162    HB3  LEU   5           HB3      LEU   5  -8.041   0.760  -7.997
 1163    HG   LEU   5           HG       LEU   5  -8.037   2.527  -6.285
 1164   HD11  LEU   5          HD11      LEU   5  -6.045   0.324  -5.837
 1165   HD12  LEU   5          HD12      LEU   5  -6.810   1.289  -4.574
 1166   HD13  LEU   5          HD13      LEU   5  -7.790   0.234  -5.592
 1167   HD21  LEU   5          HD21      LEU   5  -5.057   2.519  -6.692
 1168   HD22  LEU   5          HD22      LEU   5  -6.161   3.839  -7.084
 1169   HD23  LEU   5          HD23      LEU   5  -5.926   3.355  -5.404
 1170    H    GLU   6           H        GLU   6  -7.003  -0.895 -10.152
 1171    HA   GLU   6           HA       GLU   6  -7.303  -3.129  -8.502
 1172    HB2  GLU   6           HB2      GLU   6  -8.409  -2.996 -10.666
 1173    HB3  GLU   6           HB3      GLU   6  -6.854  -3.012 -11.489
 1174    HG2  GLU   6           HG2      GLU   6  -6.544  -5.282 -10.237
 1175    HG3  GLU   6           HG3      GLU   6  -8.301  -5.232 -10.129
 1176    H    LYS   7           H        LYS   7  -4.740  -2.373 -10.841
 1177    HA   LYS   7           HA       LYS   7  -3.279  -4.716 -10.344
 1178    HB2  LYS   7           HB2      LYS   7  -2.752  -2.170 -11.803
 1179    HB3  LYS   7           HB3      LYS   7  -1.385  -3.225 -11.442
 1180    HG2  LYS   7           HG2      LYS   7  -3.886  -4.176 -12.821
 1181    HG3  LYS   7           HG3      LYS   7  -2.461  -3.580 -13.679
 1182    HD2  LYS   7           HD2      LYS   7  -1.110  -5.335 -12.845
 1183    HD3  LYS   7           HD3      LYS   7  -2.321  -5.800 -11.653
 1184    HE2  LYS   7           HE2      LYS   7  -2.839  -5.953 -14.605
 1185    HE3  LYS   7           HE3      LYS   7  -2.075  -7.267 -13.714
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.485  -7.567 -13.940
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.761  -6.126 -13.090
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.021  -7.444 -12.314
 1189    H    ALA   8           H        ALA   8  -3.327  -1.652  -8.729
 1190    HA   ALA   8           HA       ALA   8  -0.905  -1.659  -7.418
 1191    HB1  ALA   8           HB1      ALA   8  -3.581  -0.901  -6.240
 1192    HB2  ALA   8           HB2      ALA   8  -2.002  -0.415  -5.624
 1193    HB3  ALA   8           HB3      ALA   8  -2.542   0.148  -7.205
 1194    H    LEU   9           H        LEU   9  -3.890  -3.357  -6.428
 1195    HA   LEU   9           HA       LEU   9  -2.538  -4.642  -4.220
 1196    HB2  LEU   9           HB2      LEU   9  -5.246  -5.327  -5.374
 1197    HB3  LEU   9           HB3      LEU   9  -4.620  -5.809  -3.816
 1198    HG   LEU   9           HG       LEU   9  -6.089  -4.126  -3.259
 1199   HD11  LEU   9          HD11      LEU   9  -4.794  -2.184  -2.599
 1200   HD12  LEU   9          HD12      LEU   9  -3.940  -3.689  -2.255
 1201   HD13  LEU   9          HD13      LEU   9  -3.473  -2.707  -3.644
 1202   HD21  LEU   9          HD21      LEU   9  -6.609  -3.403  -5.529
 1203   HD22  LEU   9          HD22      LEU   9  -6.364  -2.032  -4.445
 1204   HD23  LEU   9          HD23      LEU   9  -5.099  -2.494  -5.582
 1205    H    ASP  10           H        ASP  10  -3.635  -5.466  -7.428
 1206    HA   ASP  10           HA       ASP  10  -3.269  -8.213  -7.512
 1207    HB2  ASP  10           HB2      ASP  10  -4.272  -6.817  -9.303
 1208    HB3  ASP  10           HB3      ASP  10  -2.685  -6.165  -9.676
 1209    H    VAL  11           H        VAL  11  -0.912  -5.666  -8.256
 1210    HA   VAL  11           HA       VAL  11   1.168  -7.561  -8.801
 1211    HB   VAL  11           HB       VAL  11   2.571  -5.688  -9.235
 1212   HG11  VAL  11          HG11      VAL  11   0.809  -6.205 -10.882
 1213   HG12  VAL  11          HG12      VAL  11  -0.233  -5.005 -10.114
 1214   HG13  VAL  11          HG13      VAL  11   1.265  -4.501 -10.893
 1215   HG21  VAL  11          HG21      VAL  11   1.917  -3.384  -8.716
 1216   HG22  VAL  11          HG22      VAL  11   0.472  -3.982  -7.899
 1217   HG23  VAL  11          HG23      VAL  11   2.070  -4.359  -7.254
 1218    H    MET  12           H        MET  12   0.025  -5.932  -5.993
 1219    HA   MET  12           HA       MET  12   2.312  -5.878  -4.393
 1220    HB2  MET  12           HB2      MET  12  -0.610  -6.120  -3.848
 1221    HB3  MET  12           HB3      MET  12   0.524  -6.393  -2.532
 1222    HG2  MET  12           HG2      MET  12   1.395  -4.207  -2.704
 1223    HG3  MET  12           HG3      MET  12   0.575  -3.929  -4.239
 1224    HE1  MET  12           HE1      MET  12  -0.034  -1.576  -2.887
 1225    HE2  MET  12           HE2      MET  12  -1.060  -1.571  -1.443
 1226    HE3  MET  12           HE3      MET  12   0.584  -2.213  -1.357
 1227    H    VAL  13           H        VAL  13   0.005  -8.497  -4.996
 1228    HA   VAL  13           HA       VAL  13   1.679 -10.320  -3.465
 1229    HB   VAL  13           HB       VAL  13  -0.077 -12.007  -3.930
 1230   HG11  VAL  13          HG11      VAL  13  -0.109 -10.638  -1.910
 1231   HG12  VAL  13          HG12      VAL  13  -1.058  -9.413  -2.754
 1232   HG13  VAL  13          HG13      VAL  13  -1.745 -11.010  -2.457
 1233   HG21  VAL  13          HG21      VAL  13  -1.514  -9.708  -5.239
 1234   HG22  VAL  13          HG22      VAL  13  -0.909 -11.153  -6.049
 1235   HG23  VAL  13          HG23      VAL  13  -2.213 -11.284  -4.869
 1236    H    SER  14           H        SER  14   0.923  -9.560  -6.789
 1237    HA   SER  14           HA       SER  14   1.963 -11.951  -7.920
 1238    HB2  SER  14           HB2      SER  14   0.394 -10.422  -9.107
 1239    HB3  SER  14           HB3      SER  14   1.685  -9.228  -9.218
 1240    HG   SER  14           HG       SER  14   1.236 -10.875 -11.029
 1241    H    THR  15           H        THR  15   3.327  -8.639  -7.894
 1242    HA   THR  15           HA       THR  15   5.902  -9.427  -8.734
 1243    HB   THR  15           HB       THR  15   5.229  -6.958  -7.119
 1244    HG1  THR  15           HG1      THR  15   5.296  -6.866  -9.909
 1245   HG21  THR  15          HG21      THR  15   7.091  -5.955  -8.324
 1246   HG22  THR  15          HG22      THR  15   7.339  -7.447  -9.231
 1247   HG23  THR  15          HG23      THR  15   7.633  -7.413  -7.494
 1248    H    PHE  16           H        PHE  16   4.326  -9.296  -5.646
 1249    HA   PHE  16           HA       PHE  16   6.355  -9.511  -3.813
 1250    HB2  PHE  16           HB2      PHE  16   3.974  -9.497  -3.235
 1251    HB3  PHE  16           HB3      PHE  16   3.777 -11.092  -3.939
 1252    HD1  PHE  16           HD1      PHE  16   5.489  -9.256  -1.214
 1253    HD2  PHE  16           HD2      PHE  16   4.070 -12.998  -2.651
 1254    HE1  PHE  16           HE1      PHE  16   5.925 -10.262   0.988
 1255    HE2  PHE  16           HE2      PHE  16   4.508 -14.011  -0.454
 1256    HZ   PHE  16           HZ       PHE  16   5.434 -12.644   1.369
 1257    H    HIS  17           H        HIS  17   4.759 -12.308  -5.364
 1258    HA   HIS  17           HA       HIS  17   6.730 -14.163  -4.494
 1259    HB2  HIS  17           HB2      HIS  17   4.738 -14.423  -6.758
 1260    HB3  HIS  17           HB3      HIS  17   5.670 -15.744  -6.068
 1261    HD1  HIS  17           HD1      HIS  17   5.244 -15.619  -3.164
 1262    HD2  HIS  17           HD2      HIS  17   2.228 -14.591  -5.842
 1263    HE1  HIS  17           HE1      HIS  17   3.087 -15.867  -1.893
 1264    HE2  HIS  17           HE2      HIS  17   1.280 -15.154  -3.502
 1265    H    LYS  18           H        LYS  18   6.404 -12.105  -7.222
 1266    HA   LYS  18           HA       LYS  18   8.036 -13.342  -9.107
 1267    HB2  LYS  18           HB2      LYS  18   6.519 -11.489  -9.573
 1268    HB3  LYS  18           HB3      LYS  18   7.499 -10.413  -8.595
 1269    HG2  LYS  18           HG2      LYS  18   9.339 -10.659 -10.202
 1270    HG3  LYS  18           HG3      LYS  18   8.304 -11.692 -11.198
 1271    HD2  LYS  18           HD2      LYS  18   6.708  -9.884 -11.465
 1272    HD3  LYS  18           HD3      LYS  18   7.664  -8.852 -10.401
 1273    HE2  LYS  18           HE2      LYS  18   9.521  -8.960 -12.013
 1274    HE3  LYS  18           HE3      LYS  18   8.513  -9.934 -13.084
 1275    HZ1  LYS  18           HZ1      LYS  18   8.476  -7.621 -13.741
 1276    HZ2  LYS  18           HZ2      LYS  18   7.942  -7.147 -12.205
 1277    HZ3  LYS  18           HZ3      LYS  18   6.940  -8.088 -13.201
 1278    H    TYR  19           H        TYR  19   8.902 -11.331  -6.326
 1279    HA   TYR  19           HA       TYR  19  11.729 -11.740  -7.073
 1280    HB2  TYR  19           HB2      TYR  19  10.426  -9.318  -5.853
 1281    HB3  TYR  19           HB3      TYR  19  12.166  -9.593  -5.766
 1282    HD1  TYR  19           HD1      TYR  19  13.493  -9.740  -7.863
 1283    HD2  TYR  19           HD2      TYR  19   9.409  -8.559  -7.871
 1284    HE1  TYR  19           HE1      TYR  19  13.764  -8.841 -10.133
 1285    HE2  TYR  19           HE2      TYR  19   9.669  -7.656 -10.141
 1286    HH   TYR  19           HH       TYR  19  12.333  -8.368 -12.093
 1287    H    SER  20           H        SER  20   9.438 -12.569  -4.766
 1288    HA   SER  20           HA       SER  20  11.398 -12.771  -2.622
 1289    HB2  SER  20           HB2      SER  20   9.520 -13.829  -1.342
 1290    HB3  SER  20           HB3      SER  20   9.164 -12.202  -1.916
 1291    HG   SER  20           HG       SER  20   7.731 -12.965  -3.291
 1292    H    GLY  21           H        GLY  21   9.372 -14.968  -4.549
 1293    HA2  GLY  21           HA2      GLY  21  10.861 -17.300  -3.739
 1294    HA3  GLY  21           HA3      GLY  21   9.610 -17.234  -4.976
 1295    H    LYS  22           H        LYS  22  12.684 -15.572  -4.567
 1296    HA   LYS  22           HA       LYS  22  13.422 -16.346  -7.305
 1297    HB2  LYS  22           HB2      LYS  22  12.817 -13.966  -6.992
 1298    HB3  LYS  22           HB3      LYS  22  14.038 -13.835  -5.741
 1299    HG2  LYS  22           HG2      LYS  22  15.789 -14.195  -7.367
 1300    HG3  LYS  22           HG3      LYS  22  14.583 -14.433  -8.633
 1301    HD2  LYS  22           HD2      LYS  22  15.504 -12.161  -8.670
 1302    HD3  LYS  22           HD3      LYS  22  13.777 -12.170  -8.346
 1303    HE2  LYS  22           HE2      LYS  22  14.864 -10.594  -6.896
 1304    HE3  LYS  22           HE3      LYS  22  14.260 -11.936  -5.937
 1305    HZ1  LYS  22           HZ1      LYS  22  17.024 -11.176  -6.556
 1306    HZ2  LYS  22           HZ2      LYS  22  16.682 -12.820  -6.332
 1307    HZ3  LYS  22           HZ3      LYS  22  16.354 -11.713  -5.088
 1308    H    GLU  23           H        GLU  23  15.121 -14.812  -4.597
 1309    HA   GLU  23           HA       GLU  23  17.088 -17.002  -4.645
 1310    HB2  GLU  23           HB2      GLU  23  17.240 -14.108  -4.004
 1311    HB3  GLU  23           HB3      GLU  23  18.244 -15.182  -3.042
 1312    HG2  GLU  23           HG2      GLU  23  19.457 -14.266  -4.927
 1313    HG3  GLU  23           HG3      GLU  23  19.321 -16.016  -5.041
 1314    H    GLY  24           H        GLY  24  14.902 -15.167  -2.575
 1315    HA2  GLY  24           HA2      GLY  24  15.636 -16.842  -0.281
 1316    HA3  GLY  24           HA3      GLY  24  14.660 -15.382  -0.227
 1317    H    ASP  25           H        ASP  25  12.924 -16.180   0.824
 1318    HA   ASP  25           HA       ASP  25  11.644 -18.628  -0.088
 1319    HB2  ASP  25           HB2      ASP  25  11.883 -18.223   2.334
 1320    HB3  ASP  25           HB3      ASP  25  10.927 -16.750   2.180
 1321    H    LYS  26           H        LYS  26   9.473 -18.698  -0.817
 1322    HA   LYS  26           HA       LYS  26   8.911 -16.632  -2.672
 1323    HB2  LYS  26           HB2      LYS  26   6.937 -17.987  -3.262
 1324    HB3  LYS  26           HB3      LYS  26   8.420 -18.920  -3.229
 1325    HG2  LYS  26           HG2      LYS  26   7.077 -20.379  -2.142
 1326    HG3  LYS  26           HG3      LYS  26   7.601 -19.434  -0.754
 1327    HD2  LYS  26           HD2      LYS  26   5.231 -19.753  -0.600
 1328    HD3  LYS  26           HD3      LYS  26   5.534 -18.059  -0.992
 1329    HE2  LYS  26           HE2      LYS  26   4.870 -18.359  -3.239
 1330    HE3  LYS  26           HE3      LYS  26   4.943 -20.113  -3.107
 1331    HZ1  LYS  26           HZ1      LYS  26   3.027 -18.456  -1.563
 1332    HZ2  LYS  26           HZ2      LYS  26   3.008 -20.137  -1.778
 1333    HZ3  LYS  26           HZ3      LYS  26   2.662 -19.109  -3.083
 1334    H    PHE  27           H        PHE  27   8.344 -16.614   0.547
 1335    HA   PHE  27           HA       PHE  27   6.106 -14.730   0.239
 1336    HB2  PHE  27           HB2      PHE  27   5.629 -17.042   1.286
 1337    HB3  PHE  27           HB3      PHE  27   6.598 -16.490   2.644
 1338    HD1  PHE  27           HD1      PHE  27   5.820 -14.682   4.052
 1339    HD2  PHE  27           HD2      PHE  27   3.459 -16.243   0.904
 1340    HE1  PHE  27           HE1      PHE  27   3.822 -13.632   5.052
 1341    HE2  PHE  27           HE2      PHE  27   1.443 -15.202   1.876
 1342    HZ   PHE  27           HZ       PHE  27   1.628 -13.893   3.957
 1343    H    LYS  28           H        LYS  28   9.292 -14.873   0.744
 1344    HA   LYS  28           HA       LYS  28   9.208 -12.724   2.735
 1345    HB2  LYS  28           HB2      LYS  28   9.768 -14.907   3.830
 1346    HB3  LYS  28           HB3      LYS  28  11.203 -14.989   2.817
 1347    HG2  LYS  28           HG2      LYS  28  11.916 -14.167   4.896
 1348    HG3  LYS  28           HG3      LYS  28  11.883 -12.776   3.813
 1349    HD2  LYS  28           HD2      LYS  28  10.929 -12.125   5.916
 1350    HD3  LYS  28           HD3      LYS  28   9.635 -12.204   4.722
 1351    HE2  LYS  28           HE2      LYS  28   8.900 -13.206   6.793
 1352    HE3  LYS  28           HE3      LYS  28   9.038 -14.445   5.548
 1353    HZ1  LYS  28           HZ1      LYS  28   9.968 -15.242   7.600
 1354    HZ2  LYS  28           HZ2      LYS  28  10.990 -13.893   7.718
 1355    HZ3  LYS  28           HZ3      LYS  28  11.224 -15.026   6.478
 1356    H    LEU  29           H        LEU  29  10.123 -10.990   1.891
 1357    HA   LEU  29           HA       LEU  29  12.309 -11.345  -0.040
 1358    HB2  LEU  29           HB2      LEU  29  10.575  -8.941   0.528
 1359    HB3  LEU  29           HB3      LEU  29  11.952  -8.920  -0.553
 1360    HG   LEU  29           HG       LEU  29  10.602 -10.907  -1.701
 1361   HD11  LEU  29          HD11      LEU  29   8.478  -9.209  -0.428
 1362   HD12  LEU  29          HD12      LEU  29   8.210 -10.423  -1.677
 1363   HD13  LEU  29          HD13      LEU  29   8.796 -10.909  -0.084
 1364   HD21  LEU  29          HD21      LEU  29   9.673  -9.249  -3.242
 1365   HD22  LEU  29          HD22      LEU  29  10.005  -7.976  -2.068
 1366   HD23  LEU  29          HD23      LEU  29  11.337  -8.868  -2.802
 1367    H    ASN  30           H        ASN  30  14.277 -11.232   0.820
 1368    HA   ASN  30           HA       ASN  30  14.766  -9.561   3.143
 1369    HB2  ASN  30           HB2      ASN  30  16.959 -10.473   3.211
 1370    HB3  ASN  30           HB3      ASN  30  15.912 -11.812   2.756
 1371   HD21  ASN  30          HD21      ASN  30  16.065 -12.682   0.713
 1372   HD22  ASN  30          HD22      ASN  30  17.368 -12.287  -0.359
 1373    H    LYS  31           H        LYS  31  17.221  -8.462   2.659
 1374    HA   LYS  31           HA       LYS  31  16.672  -6.046   1.478
 1375    HB2  LYS  31           HB2      LYS  31  19.374  -7.403   1.569
 1376    HB3  LYS  31           HB3      LYS  31  19.094  -5.682   1.356
 1377    HG2  LYS  31           HG2      LYS  31  18.127  -5.561   3.592
 1378    HG3  LYS  31           HG3      LYS  31  18.404  -7.292   3.803
 1379    HD2  LYS  31           HD2      LYS  31  20.539  -5.213   3.312
 1380    HD3  LYS  31           HD3      LYS  31  20.165  -5.954   4.870
 1381    HE2  LYS  31           HE2      LYS  31  20.814  -8.123   4.048
 1382    HE3  LYS  31           HE3      LYS  31  21.039  -7.482   2.421
 1383    HZ1  LYS  31           HZ1      LYS  31  23.141  -7.763   3.587
 1384    HZ2  LYS  31           HZ2      LYS  31  22.630  -6.706   4.811
 1385    HZ3  LYS  31           HZ3      LYS  31  22.856  -6.127   3.234
 1386    H    SER  32           H        SER  32  18.285  -8.843  -0.012
 1387    HA   SER  32           HA       SER  32  18.863  -7.512  -2.452
 1388    HB2  SER  32           HB2      SER  32  20.112  -9.482  -1.527
 1389    HB3  SER  32           HB3      SER  32  18.731 -10.491  -1.951
 1390    HG   SER  32           HG       SER  32  20.126 -10.631  -3.637
 1391    H    GLU  33           H        GLU  33  16.178  -9.484  -1.340
 1392    HA   GLU  33           HA       GLU  33  15.070  -9.937  -3.930
 1393    HB2  GLU  33           HB2      GLU  33  13.659 -10.029  -1.257
 1394    HB3  GLU  33           HB3      GLU  33  13.107 -10.757  -2.757
 1395    HG2  GLU  33           HG2      GLU  33  15.510 -11.554  -1.133
 1396    HG3  GLU  33           HG3      GLU  33  14.009 -12.456  -1.328
 1397    H    LEU  34           H        LEU  34  14.398  -7.680  -1.286
 1398    HA   LEU  34           HA       LEU  34  12.361  -6.244  -2.611
 1399    HB2  LEU  34           HB2      LEU  34  14.151  -5.724  -0.286
 1400    HB3  LEU  34           HB3      LEU  34  13.264  -4.381  -0.977
 1401    HG   LEU  34           HG       LEU  34  11.933  -6.907  -0.034
 1402   HD11  LEU  34          HD11      LEU  34  11.282  -5.594   1.946
 1403   HD12  LEU  34          HD12      LEU  34  13.022  -5.863   1.859
 1404   HD13  LEU  34          HD13      LEU  34  12.349  -4.295   1.413
 1405   HD21  LEU  34          HD21      LEU  34   9.928  -5.508  -0.104
 1406   HD22  LEU  34          HD22      LEU  34  10.892  -4.152  -0.703
 1407   HD23  LEU  34          HD23      LEU  34  10.700  -5.605  -1.688
 1408    H    LYS  35           H        LYS  35  15.868  -5.934  -2.581
 1409    HA   LYS  35           HA       LYS  35  16.026  -3.440  -3.820
 1410    HB2  LYS  35           HB2      LYS  35  17.937  -4.681  -2.764
 1411    HB3  LYS  35           HB3      LYS  35  17.996  -5.692  -4.205
 1412    HG2  LYS  35           HG2      LYS  35  18.633  -3.889  -5.574
 1413    HG3  LYS  35           HG3      LYS  35  18.206  -2.701  -4.341
 1414    HD2  LYS  35           HD2      LYS  35  20.606  -2.924  -4.458
 1415    HD3  LYS  35           HD3      LYS  35  20.026  -3.575  -2.921
 1416    HE2  LYS  35           HE2      LYS  35  20.096  -5.843  -3.903
 1417    HE3  LYS  35           HE3      LYS  35  20.783  -5.150  -5.369
 1418    HZ1  LYS  35           HZ1      LYS  35  22.660  -4.348  -4.022
 1419    HZ2  LYS  35           HZ2      LYS  35  22.519  -6.036  -3.998
 1420    HZ3  LYS  35           HZ3      LYS  35  22.007  -5.126  -2.666
 1421    H    GLU  36           H        GLU  36  16.096  -6.698  -5.315
 1422    HA   GLU  36           HA       GLU  36  16.081  -5.690  -7.950
 1423    HB2  GLU  36           HB2      GLU  36  15.510  -8.337  -6.730
 1424    HB3  GLU  36           HB3      GLU  36  14.971  -8.037  -8.376
 1425    HG2  GLU  36           HG2      GLU  36  17.199  -7.539  -9.087
 1426    HG3  GLU  36           HG3      GLU  36  17.795  -7.632  -7.433
 1427    H    LEU  37           H        LEU  37  13.505  -6.363  -5.675
 1428    HA   LEU  37           HA       LEU  37  11.283  -6.111  -7.338
 1429    HB2  LEU  37           HB2      LEU  37  11.404  -6.616  -4.823
 1430    HB3  LEU  37           HB3      LEU  37  11.493  -4.876  -4.602
 1431    HG   LEU  37           HG       LEU  37   9.284  -4.969  -6.094
 1432   HD11  LEU  37          HD11      LEU  37   9.356  -7.394  -6.357
 1433   HD12  LEU  37          HD12      LEU  37   9.285  -7.591  -4.604
 1434   HD13  LEU  37          HD13      LEU  37   7.920  -6.884  -5.470
 1435   HD21  LEU  37          HD21      LEU  37   9.443  -5.481  -3.128
 1436   HD22  LEU  37          HD22      LEU  37   9.450  -3.910  -3.929
 1437   HD23  LEU  37          HD23      LEU  37   8.007  -4.924  -3.987
 1438    H    LEU  38           H        LEU  38  12.946  -3.597  -5.462
 1439    HA   LEU  38           HA       LEU  38  11.431  -1.477  -6.602
 1440    HB2  LEU  38           HB2      LEU  38  13.804  -1.604  -4.782
 1441    HB3  LEU  38           HB3      LEU  38  13.248  -0.068  -5.427
 1442    HG   LEU  38           HG       LEU  38  10.956  -1.304  -4.379
 1443   HD11  LEU  38          HD11      LEU  38  13.283  -1.565  -2.490
 1444   HD12  LEU  38          HD12      LEU  38  11.584  -1.767  -2.068
 1445   HD13  LEU  38          HD13      LEU  38  12.353  -2.890  -3.189
 1446   HD21  LEU  38          HD21      LEU  38  11.466   1.082  -4.396
 1447   HD22  LEU  38          HD22      LEU  38  11.052   0.531  -2.771
 1448   HD23  LEU  38          HD23      LEU  38  12.739   0.826  -3.201
 1449    H    THR  39           H        THR  39  14.674  -2.768  -7.272
 1450    HA   THR  39           HA       THR  39  15.540  -0.599  -8.862
 1451    HB   THR  39           HB       THR  39  17.172  -2.224  -9.851
 1452    HG1  THR  39           HG1      THR  39  16.119  -4.084  -7.985
 1453   HG21  THR  39          HG21      THR  39  17.693  -0.999  -7.804
 1454   HG22  THR  39          HG22      THR  39  18.390  -2.622  -7.781
 1455   HG23  THR  39          HG23      THR  39  16.930  -2.278  -6.853
 1456    H    ARG  40           H        ARG  40  13.542  -3.347  -9.563
 1457    HA   ARG  40           HA       ARG  40  13.788  -2.962 -12.429
 1458    HB2  ARG  40           HB2      ARG  40  12.278  -4.979 -10.782
 1459    HB3  ARG  40           HB3      ARG  40  12.318  -4.972 -12.543
 1460    HG2  ARG  40           HG2      ARG  40  14.746  -5.217 -10.778
 1461    HG3  ARG  40           HG3      ARG  40  13.888  -6.580 -11.494
 1462    HD2  ARG  40           HD2      ARG  40  15.006  -4.331 -13.140
 1463    HD3  ARG  40           HD3      ARG  40  15.956  -5.753 -12.710
 1464    HE   ARG  40           HE       ARG  40  14.083  -7.045 -13.835
 1465   HH11  ARG  40          HH12      ARG  40  14.943  -3.781 -14.780
 1466   HH12  ARG  40          HH11      ARG  40  14.440  -3.988 -16.430
 1467   HH21  ARG  40          HH22      ARG  40  13.446  -7.328 -15.995
 1468   HH22  ARG  40          HH21      ARG  40  13.592  -6.015 -17.126
 1469    H    GLU  41           H        GLU  41  11.179  -2.877  -9.970
 1470    HA   GLU  41           HA       GLU  41   9.453  -1.726 -12.037
 1471    HB2  GLU  41           HB2      GLU  41   8.967  -3.493  -9.818
 1472    HB3  GLU  41           HB3      GLU  41   7.911  -2.088  -9.734
 1473    HG2  GLU  41           HG2      GLU  41   6.625  -3.436 -11.051
 1474    HG3  GLU  41           HG3      GLU  41   7.569  -2.618 -12.285
 1475    H    LEU  42           H        LEU  42  11.074  -0.790  -9.091
 1476    HA   LEU  42           HA       LEU  42   9.486   1.708  -9.122
 1477    HB2  LEU  42           HB2      LEU  42  10.845   0.473  -6.730
 1478    HB3  LEU  42           HB3      LEU  42   9.869   1.926  -6.734
 1479    HG   LEU  42           HG       LEU  42   8.017   0.248  -7.631
 1480   HD11  LEU  42          HD11      LEU  42   9.820  -1.590  -7.543
 1481   HD12  LEU  42          HD12      LEU  42   9.534  -1.561  -5.800
 1482   HD13  LEU  42          HD13      LEU  42   8.211  -1.942  -6.906
 1483   HD21  LEU  42          HD21      LEU  42   7.910   1.648  -5.618
 1484   HD22  LEU  42          HD22      LEU  42   7.245   0.041  -5.339
 1485   HD23  LEU  42          HD23      LEU  42   8.854   0.444  -4.742
 1486    HA   PRO  43           HA       PRO  43  14.242   2.404  -9.524
 1487    HB2  PRO  43           HB2      PRO  43  13.575   3.658 -12.104
 1488    HB3  PRO  43           HB3      PRO  43  14.859   2.511 -11.719
 1489    HG2  PRO  43           HG2      PRO  43  12.725   1.772 -13.152
 1490    HG3  PRO  43           HG3      PRO  43  13.479   0.673 -11.979
 1491    HD2  PRO  43           HD2      PRO  43  10.991   2.320 -11.710
 1492    HD3  PRO  43           HD3      PRO  43  11.297   0.648 -11.182
 1493    H    SER  44           H        SER  44  11.499   4.387 -10.543
 1494    HA   SER  44           HA       SER  44  12.700   6.896 -10.074
 1495    HB2  SER  44           HB2      SER  44   9.766   6.163  -9.972
 1496    HB3  SER  44           HB3      SER  44  10.430   7.784 -10.174
 1497    HG   SER  44           HG       SER  44  10.195   7.284 -12.217
 1498    H    PHE  45           H        PHE  45  10.982   4.637  -8.022
 1499    HA   PHE  45           HA       PHE  45  10.728   6.461  -5.802
 1500    HB2  PHE  45           HB2      PHE  45  10.302   3.463  -5.930
 1501    HB3  PHE  45           HB3      PHE  45   9.858   4.508  -4.587
 1502    HD1  PHE  45           HD2      PHE  45   8.020   6.124  -4.840
 1503    HD2  PHE  45           HD1      PHE  45   8.950   3.272  -7.856
 1504    HE1  PHE  45           HE2      PHE  45   5.798   6.458  -5.832
 1505    HE2  PHE  45           HE1      PHE  45   6.730   3.598  -8.856
 1506    HZ   PHE  45           HZ       PHE  45   5.150   5.183  -7.845
 1507    H    LEU  46           H        LEU  46  13.453   5.453  -6.964
 1508    HA   LEU  46           HA       LEU  46  14.516   4.621  -4.364
 1509    HB2  LEU  46           HB2      LEU  46  15.977   4.713  -7.005
 1510    HB3  LEU  46           HB3      LEU  46  16.563   4.018  -5.509
 1511    HG   LEU  46           HG       LEU  46  14.486   2.963  -7.388
 1512   HD11  LEU  46          HD11      LEU  46  16.883   1.734  -6.047
 1513   HD12  LEU  46          HD12      LEU  46  15.793   0.910  -7.163
 1514   HD13  LEU  46          HD13      LEU  46  16.772   2.265  -7.727
 1515   HD21  LEU  46          HD21      LEU  46  14.732   2.321  -4.452
 1516   HD22  LEU  46          HD22      LEU  46  13.305   2.811  -5.362
 1517   HD23  LEU  46          HD23      LEU  46  14.002   1.216  -5.622
 1518    H    GLY  47           H        GLY  47  14.238   7.258  -6.486
 1519    HA2  GLY  47           HA2      GLY  47  14.849   9.459  -6.305
 1520    HA3  GLY  47           HA3      GLY  47  15.370   9.117  -4.668
 1521    H    LYS  48           H        LYS  48  17.322   7.165  -5.356
 1522    HA   LYS  48           HA       LYS  48  19.179   8.572  -7.145
 1523    HB2  LYS  48           HB2      LYS  48  19.824   7.447  -4.416
 1524    HB3  LYS  48           HB3      LYS  48  21.039   7.931  -5.591
 1525    HG2  LYS  48           HG2      LYS  48  18.961   9.747  -4.393
 1526    HG3  LYS  48           HG3      LYS  48  20.640   9.629  -3.880
 1527    HD2  LYS  48           HD2      LYS  48  21.377  10.338  -6.100
 1528    HD3  LYS  48           HD3      LYS  48  19.696  10.450  -6.619
 1529    HE2  LYS  48           HE2      LYS  48  20.627  12.642  -6.030
 1530    HE3  LYS  48           HE3      LYS  48  19.279  12.191  -4.985
 1531    HZ1  LYS  48           HZ1      LYS  48  21.297  13.174  -3.869
 1532    HZ2  LYS  48           HZ2      LYS  48  22.101  11.719  -4.211
 1533    HZ3  LYS  48           HZ3      LYS  48  20.726  11.717  -3.219
 1534    H    ARG  49           H        ARG  49  19.512   5.736  -5.106
 1535    HA   ARG  49           HA       ARG  49  18.979   3.702  -6.899
 1536    HB2  ARG  49           HB2      ARG  49  20.852   4.671  -8.224
 1537    HB3  ARG  49           HB3      ARG  49  21.926   4.414  -6.857
 1538    HG2  ARG  49           HG2      ARG  49  22.180   2.685  -8.562
 1539    HG3  ARG  49           HG3      ARG  49  21.614   2.016  -7.030
 1540    HD2  ARG  49           HD2      ARG  49  19.301   2.053  -7.917
 1541    HD3  ARG  49           HD3      ARG  49  19.936   2.607  -9.467
 1542    HE   ARG  49           HE       ARG  49  21.168   0.185  -8.548
 1543   HH11  ARG  49          HH12      ARG  49  18.358   1.495 -10.208
 1544   HH12  ARG  49          HH11      ARG  49  18.057   0.027 -11.091
 1545   HH21  ARG  49          HH22      ARG  49  20.750  -1.738  -9.710
 1546   HH22  ARG  49          HH21      ARG  49  19.407  -1.793 -10.818
 1547    H    THR  50           H        THR  50  19.711   1.609  -6.058
 1548    HA   THR  50           HA       THR  50  19.692   1.657  -3.201
 1549    HB   THR  50           HB       THR  50  19.764  -0.888  -3.577
 1550    HG1  THR  50           HG1      THR  50  20.517  -0.814  -5.747
 1551   HG21  THR  50          HG21      THR  50  17.380  -0.914  -4.150
 1552   HG22  THR  50          HG22      THR  50  17.490   0.761  -4.690
 1553   HG23  THR  50          HG23      THR  50  17.741   0.365  -2.990
 1554    H    ASP  51           H        ASP  51  21.518   2.047  -2.134
 1555    HA   ASP  51           HA       ASP  51  24.037   0.853  -3.006
 1556    HB2  ASP  51           HB2      ASP  51  23.417   2.758  -0.732
 1557    HB3  ASP  51           HB3      ASP  51  25.023   2.148  -1.111
 1558    H    GLU  52           H        GLU  52  25.309  -0.434  -1.517
 1559    HA   GLU  52           HA       GLU  52  23.706  -2.454  -0.319
 1560    HB2  GLU  52           HB2      GLU  52  26.694  -2.025  -0.176
 1561    HB3  GLU  52           HB3      GLU  52  25.853  -3.483   0.336
 1562    HG2  GLU  52           HG2      GLU  52  26.102  -2.387  -2.449
 1563    HG3  GLU  52           HG3      GLU  52  26.764  -3.892  -1.815
 1564    H    ALA  53           H        ALA  53  25.883   0.010   1.041
 1565    HA   ALA  53           HA       ALA  53  25.413  -0.786   3.748
 1566    HB1  ALA  53           HB1      ALA  53  27.472   0.350   3.060
 1567    HB2  ALA  53           HB2      ALA  53  26.544   1.803   2.694
 1568    HB3  ALA  53           HB3      ALA  53  26.647   1.217   4.355
 1569    H    ALA  54           H        ALA  54  23.600   0.960   1.515
 1570    HA   ALA  54           HA       ALA  54  22.116   2.481   3.501
 1571    HB1  ALA  54           HB1      ALA  54  20.768   3.223   1.588
 1572    HB2  ALA  54           HB2      ALA  54  22.494   3.483   1.313
 1573    HB3  ALA  54           HB3      ALA  54  21.673   2.125   0.542
 1574    H    PHE  55           H        PHE  55  21.788  -0.382   1.487
 1575    HA   PHE  55           HA       PHE  55  19.028  -0.766   2.025
 1576    HB2  PHE  55           HB2      PHE  55  20.751  -1.817   0.199
 1577    HB3  PHE  55           HB3      PHE  55  20.559  -3.172   1.313
 1578    HD1  PHE  55           HD2      PHE  55  18.035  -3.580   2.054
 1579    HD2  PHE  55           HD1      PHE  55  19.268  -1.653  -1.530
 1580    HE1  PHE  55           HE2      PHE  55  15.851  -4.082   1.042
 1581    HE2  PHE  55           HE1      PHE  55  17.089  -2.143  -2.548
 1582    HZ   PHE  55           HZ       PHE  55  15.374  -3.359  -1.263
 1583    H    GLN  56           H        GLN  56  21.952  -1.794   3.669
 1584    HA   GLN  56           HA       GLN  56  20.769  -3.739   5.341
 1585    HB2  GLN  56           HB2      GLN  56  22.661  -3.308   6.878
 1586    HB3  GLN  56           HB3      GLN  56  23.180  -3.544   5.215
 1587    HG2  GLN  56           HG2      GLN  56  23.418  -1.133   4.943
 1588    HG3  GLN  56           HG3      GLN  56  22.889  -0.894   6.610
 1589   HE21  GLN  56          HE21      GLN  56  24.272  -1.394   8.290
 1590   HE22  GLN  56          HE22      GLN  56  25.961  -1.683   8.040
 1591    H    LYS  57           H        LYS  57  20.780  -0.277   5.375
 1592    HA   LYS  57           HA       LYS  57  19.477  -0.068   7.948
 1593    HB2  LYS  57           HB2      LYS  57  19.811   2.003   5.765
 1594    HB3  LYS  57           HB3      LYS  57  19.331   2.313   7.429
 1595    HG2  LYS  57           HG2      LYS  57  21.487   1.717   8.242
 1596    HG3  LYS  57           HG3      LYS  57  21.982   1.124   6.654
 1597    HD2  LYS  57           HD2      LYS  57  21.700   3.421   5.765
 1598    HD3  LYS  57           HD3      LYS  57  21.350   3.980   7.404
 1599    HE2  LYS  57           HE2      LYS  57  23.551   3.262   8.138
 1600    HE3  LYS  57           HE3      LYS  57  23.898   2.612   6.536
 1601    HZ1  LYS  57           HZ1      LYS  57  23.500   5.462   7.265
 1602    HZ2  LYS  57           HZ2      LYS  57  23.613   4.903   5.664
 1603    HZ3  LYS  57           HZ3      LYS  57  24.932   4.730   6.720
 1604    H    LEU  58           H        LEU  58  18.673   0.331   4.539
 1605    HA   LEU  58           HA       LEU  58  16.037   1.079   4.665
 1606    HB2  LEU  58           HB2      LEU  58  17.326   0.972   2.593
 1607    HB3  LEU  58           HB3      LEU  58  17.319  -0.783   2.668
 1608    HG   LEU  58           HG       LEU  58  14.830  -0.725   2.487
 1609   HD11  LEU  58          HD11      LEU  58  13.698   1.260   1.929
 1610   HD12  LEU  58          HD12      LEU  58  14.675   1.632   3.348
 1611   HD13  LEU  58          HD13      LEU  58  15.203   2.158   1.745
 1612   HD21  LEU  58          HD21      LEU  58  16.370  -1.010   0.525
 1613   HD22  LEU  58          HD22      LEU  58  14.769  -0.365   0.151
 1614   HD23  LEU  58          HD23      LEU  58  16.162   0.715   0.213
 1615    H    MET  59           H        MET  59  17.212  -2.273   4.398
 1616    HA   MET  59           HA       MET  59  14.831  -3.627   4.506
 1617    HB2  MET  59           HB2      MET  59  16.739  -4.927   4.158
 1618    HB3  MET  59           HB3      MET  59  17.556  -4.281   5.574
 1619    HG2  MET  59           HG2      MET  59  16.805  -6.644   5.775
 1620    HG3  MET  59           HG3      MET  59  16.217  -5.572   7.044
 1621    HE1  MET  59           HE1      MET  59  13.606  -6.737   3.460
 1622    HE2  MET  59           HE2      MET  59  15.182  -5.942   3.400
 1623    HE3  MET  59           HE3      MET  59  15.078  -7.671   3.775
 1624    H    SER  60           H        SER  60  16.743  -2.553   7.300
 1625    HA   SER  60           HA       SER  60  14.802  -3.588   9.143
 1626    HB2  SER  60           HB2      SER  60  17.245  -3.535   9.601
 1627    HB3  SER  60           HB3      SER  60  17.154  -1.775   9.690
 1628    HG   SER  60           HG       SER  60  15.331  -2.432  11.302
 1629    H    ASN  61           H        ASN  61  14.873  -0.913   7.217
 1630    HA   ASN  61           HA       ASN  61  13.385   0.782   9.052
 1631    HB2  ASN  61           HB2      ASN  61  14.353   1.176   6.238
 1632    HB3  ASN  61           HB3      ASN  61  13.174   2.258   6.975
 1633   HD21  ASN  61          HD21      ASN  61  15.828   2.890   6.091
 1634   HD22  ASN  61          HD22      ASN  61  16.693   3.456   7.472
 1635    H    LEU  62           H        LEU  62  12.871  -1.743   6.865
 1636    HA   LEU  62           HA       LEU  62   9.981  -1.225   7.004
 1637    HB2  LEU  62           HB2      LEU  62  11.608  -3.237   5.452
 1638    HB3  LEU  62           HB3      LEU  62   9.872  -3.382   5.633
 1639    HG   LEU  62           HG       LEU  62  10.253  -2.414   3.523
 1640   HD11  LEU  62          HD11      LEU  62   8.400  -1.412   4.644
 1641   HD12  LEU  62          HD12      LEU  62   9.481  -0.309   5.526
 1642   HD13  LEU  62          HD13      LEU  62   9.270  -0.140   3.783
 1643   HD21  LEU  62          HD21      LEU  62  12.490  -1.716   3.644
 1644   HD22  LEU  62          HD22      LEU  62  11.539  -0.267   3.317
 1645   HD23  LEU  62          HD23      LEU  62  12.137  -0.582   4.950
 1646    H    ASP  63           H        ASP  63  12.100  -4.035   7.269
 1647    HA   ASP  63           HA       ASP  63  10.323  -5.553   8.805
 1648    HB2  ASP  63           HB2      ASP  63  12.023  -6.624   7.510
 1649    HB3  ASP  63           HB3      ASP  63  13.301  -5.790   8.385
 1650    H    SER  64           H        SER  64   9.670  -5.181  10.742
 1651    HA   SER  64           HA       SER  64  11.189  -3.592  12.607
 1652    HB2  SER  64           HB2      SER  64   8.676  -3.526  12.287
 1653    HB3  SER  64           HB3      SER  64   8.611  -5.087  13.098
 1654    HG   SER  64           HG       SER  64   9.473  -4.136  14.942
 1655    H    ASN  65           H        ASN  65  11.013  -6.869  11.800
 1656    HA   ASN  65           HA       ASN  65  11.466  -7.911  14.461
 1657    HB2  ASN  65           HB2      ASN  65  11.772  -9.346  11.814
 1658    HB3  ASN  65           HB3      ASN  65  11.608 -10.080  13.403
 1659   HD21  ASN  65          HD21      ASN  65   9.993  -8.567  10.757
 1660   HD22  ASN  65          HD22      ASN  65   8.368  -8.900  11.290
 1661    H    ARG  66           H        ARG  66  13.309  -6.675  11.876
 1662    HA   ARG  66           HA       ARG  66  15.520  -6.313  11.549
 1663    HB2  ARG  66           HB2      ARG  66  15.778  -7.165  14.442
 1664    HB3  ARG  66           HB3      ARG  66  17.036  -6.381  13.495
 1665    HG2  ARG  66           HG2      ARG  66  15.607  -4.410  13.237
 1666    HG3  ARG  66           HG3      ARG  66  14.364  -5.193  14.215
 1667    HD2  ARG  66           HD2      ARG  66  15.925  -5.303  16.098
 1668    HD3  ARG  66           HD3      ARG  66  17.156  -4.506  15.120
 1669    HE   ARG  66           HE       ARG  66  14.590  -3.180  15.706
 1670   HH11  ARG  66          HH12      ARG  66  18.088  -3.255  15.801
 1671   HH12  ARG  66          HH11      ARG  66  18.235  -1.614  16.346
 1672   HH21  ARG  66          HH22      ARG  66  14.780  -1.008  16.437
 1673   HH22  ARG  66          HH21      ARG  66  16.367  -0.332  16.687
 1674    H    ASP  67           H        ASP  67  14.437  -8.686  10.709
 1675    HA   ASP  67           HA       ASP  67  16.419 -10.768  11.383
 1676    HB2  ASP  67           HB2      ASP  67  14.000 -11.311  11.690
 1677    HB3  ASP  67           HB3      ASP  67  13.748 -11.028   9.973
 1678    H    ASN  68           H        ASN  68  15.805  -8.388   9.259
 1679    HA   ASN  68           HA       ASN  68  16.940  -7.707   7.416
 1680    HB2  ASN  68           HB2      ASN  68  18.331 -10.372   7.693
 1681    HB3  ASN  68           HB3      ASN  68  18.682  -9.250   6.386
 1682   HD21  ASN  68          HD21      ASN  68  17.929  -8.313   9.689
 1683   HD22  ASN  68          HD22      ASN  68  19.492  -7.677  10.058
 1684    H    GLU  69           H        GLU  69  14.468  -9.437   7.512
 1685    HA   GLU  69           HA       GLU  69  14.114  -9.538   4.667
 1686    HB2  GLU  69           HB2      GLU  69  13.202 -11.901   4.750
 1687    HB3  GLU  69           HB3      GLU  69  14.947 -11.740   4.839
 1688    HG2  GLU  69           HG2      GLU  69  14.805 -12.009   7.291
 1689    HG3  GLU  69           HG3      GLU  69  13.071 -12.289   7.124
 1690    H    VAL  70           H        VAL  70  12.119  -9.026   4.118
 1691    HA   VAL  70           HA       VAL  70  10.437  -8.090   6.285
 1692    HB   VAL  70           HB       VAL  70  10.737  -7.465   3.384
 1693   HG11  VAL  70          HG11      VAL  70   8.715  -6.098   3.399
 1694   HG12  VAL  70          HG12      VAL  70   8.334  -7.808   3.601
 1695   HG13  VAL  70          HG13      VAL  70   8.299  -6.726   4.993
 1696   HG21  VAL  70          HG21      VAL  70  10.391  -5.717   5.807
 1697   HG22  VAL  70          HG22      VAL  70  11.948  -6.258   5.176
 1698   HG23  VAL  70          HG23      VAL  70  10.916  -5.218   4.196
 1699    H    ASP  71           H        ASP  71   8.561  -8.902   6.875
 1700    HA   ASP  71           HA       ASP  71   7.483 -11.233   5.525
 1701    HB2  ASP  71           HB2      ASP  71   7.727 -10.975   8.065
 1702    HB3  ASP  71           HB3      ASP  71   6.341  -9.889   7.976
 1703    H    PHE  72           H        PHE  72   4.726 -10.983   5.948
 1704    HA   PHE  72           HA       PHE  72   4.277  -9.732   3.454
 1705    HB2  PHE  72           HB2      PHE  72   3.132 -11.806   4.318
 1706    HB3  PHE  72           HB3      PHE  72   2.118 -10.740   5.286
 1707    HD1  PHE  72           HD1      PHE  72   3.242  -9.681   1.968
 1708    HD2  PHE  72           HD2      PHE  72   0.115 -11.537   4.182
 1709    HE1  PHE  72           HE1      PHE  72   1.733  -9.400   0.053
 1710    HE2  PHE  72           HE2      PHE  72  -1.396 -11.266   2.265
 1711    HZ   PHE  72           HZ       PHE  72  -0.591 -10.195   0.200
 1712    H    GLN  73           H        GLN  73   2.771  -8.909   6.664
 1713    HA   GLN  73           HA       GLN  73   1.516  -6.600   5.599
 1714    HB2  GLN  73           HB2      GLN  73   0.859  -7.609   7.794
 1715    HB3  GLN  73           HB3      GLN  73   2.326  -6.956   8.498
 1716    HG2  GLN  73           HG2      GLN  73   1.604  -4.698   7.910
 1717    HG3  GLN  73           HG3      GLN  73   0.088  -5.368   7.308
 1718   HE21  GLN  73          HE21      GLN  73   0.806  -3.529   9.556
 1719   HE22  GLN  73          HE22      GLN  73   0.023  -4.210  10.940
 1720    H    GLU  74           H        GLU  74   4.749  -7.156   6.832
 1721    HA   GLU  74           HA       GLU  74   5.534  -4.442   7.006
 1722    HB2  GLU  74           HB2      GLU  74   6.723  -6.729   7.741
 1723    HB3  GLU  74           HB3      GLU  74   7.534  -6.486   6.200
 1724    HG2  GLU  74           HG2      GLU  74   8.956  -5.432   7.660
 1725    HG3  GLU  74           HG3      GLU  74   7.964  -4.074   7.093
 1726    H    TYR  75           H        TYR  75   5.556  -6.843   4.445
 1727    HA   TYR  75           HA       TYR  75   6.881  -5.363   2.463
 1728    HB2  TYR  75           HB2      TYR  75   6.432  -7.782   2.285
 1729    HB3  TYR  75           HB3      TYR  75   4.706  -7.459   2.173
 1730    HD1  TYR  75           HD2      TYR  75   3.864  -6.172   0.137
 1731    HD2  TYR  75           HD1      TYR  75   7.780  -7.812   0.379
 1732    HE1  TYR  75           HE2      TYR  75   4.059  -6.020  -2.308
 1733    HE2  TYR  75           HE1      TYR  75   7.990  -7.663  -2.072
 1734    HH   TYR  75           HH       TYR  75   5.800  -5.919  -4.014
 1735    H    CYS  76           H        CYS  76   3.551  -5.418   3.549
 1736    HA   CYS  76           HA       CYS  76   2.700  -3.811   1.323
 1737    HB2  CYS  76           HB2      CYS  76   1.075  -4.650   3.720
 1738    HB3  CYS  76           HB3      CYS  76   0.463  -4.113   2.155
 1739    HG   CYS  76           HG       CYS  76   2.198  -7.023   2.688
 1740    H    VAL  77           H        VAL  77   3.106  -3.364   4.832
 1741    HA   VAL  77           HA       VAL  77   2.230  -0.685   4.877
 1742    HB   VAL  77           HB       VAL  77   2.663  -1.924   6.963
 1743   HG11  VAL  77          HG11      VAL  77   5.032  -2.211   7.693
 1744   HG12  VAL  77          HG12      VAL  77   4.533  -3.226   6.334
 1745   HG13  VAL  77          HG13      VAL  77   5.515  -1.792   6.041
 1746   HG21  VAL  77          HG21      VAL  77   2.723   0.527   7.066
 1747   HG22  VAL  77          HG22      VAL  77   3.848  -0.190   8.220
 1748   HG23  VAL  77          HG23      VAL  77   4.453   0.499   6.714
 1749    H    PHE  78           H        PHE  78   5.320  -2.185   4.136
 1750    HA   PHE  78           HA       PHE  78   6.960  -0.090   3.546
 1751    HB2  PHE  78           HB2      PHE  78   7.802  -2.258   3.190
 1752    HB3  PHE  78           HB3      PHE  78   6.444  -2.718   2.172
 1753    HD1  PHE  78           HD2      PHE  78   9.602  -0.886   2.324
 1754    HD2  PHE  78           HD1      PHE  78   6.423  -2.244  -0.160
 1755    HE1  PHE  78           HE2      PHE  78  10.946  -0.356   0.320
 1756    HE2  PHE  78           HE1      PHE  78   7.747  -1.725  -2.166
 1757    HZ   PHE  78           HZ       PHE  78  10.008  -0.780  -1.929
 1758    H    LEU  79           H        LEU  79   4.398  -1.430   1.554
 1759    HA   LEU  79           HA       LEU  79   4.775   0.234  -0.650
 1760    HB2  LEU  79           HB2      LEU  79   2.607  -1.550   0.306
 1761    HB3  LEU  79           HB3      LEU  79   2.251  -0.438  -1.002
 1762    HG   LEU  79           HG       LEU  79   4.711  -1.849  -1.524
 1763   HD11  LEU  79          HD11      LEU  79   2.249  -3.494  -0.985
 1764   HD12  LEU  79          HD12      LEU  79   3.643  -4.055  -1.910
 1765   HD13  LEU  79          HD13      LEU  79   3.827  -3.639  -0.208
 1766   HD21  LEU  79          HD21      LEU  79   2.952  -0.587  -2.956
 1767   HD22  LEU  79          HD22      LEU  79   3.818  -1.997  -3.621
 1768   HD23  LEU  79          HD23      LEU  79   2.160  -2.170  -3.015
 1769    H    SER  80           H        SER  80   2.477   0.436   2.030
 1770    HA   SER  80           HA       SER  80   1.231   2.775   0.999
 1771    HB2  SER  80           HB2      SER  80   0.426   2.818   3.511
 1772    HB3  SER  80           HB3      SER  80  -0.161   1.605   2.373
 1773    HG   SER  80           HG       SER  80   0.515   0.291   3.884
 1774    H    CYS  81           H        CYS  81   3.900   2.085   3.076
 1775    HA   CYS  81           HA       CYS  81   4.354   4.678   4.030
 1776    HB2  CYS  81           HB2      CYS  81   6.216   2.365   3.529
 1777    HB3  CYS  81           HB3      CYS  81   6.737   3.882   4.262
 1778    HG   CYS  81           HG       CYS  81   4.576   1.578   5.520
 1779    H    ILE  82           H        ILE  82   5.470   3.029   1.056
 1780    HA   ILE  82           HA       ILE  82   6.971   5.215   0.118
 1781    HB   ILE  82           HB       ILE  82   5.501   3.135  -1.520
 1782   HG12  ILE  82          HG12      ILE  82   8.219   3.308  -0.285
 1783   HG13  ILE  82          HG13      ILE  82   7.136   1.926  -0.421
 1784   HG21  ILE  82          HG21      ILE  82   7.648   5.087  -2.367
 1785   HG22  ILE  82          HG22      ILE  82   6.902   3.850  -3.381
 1786   HG23  ILE  82          HG23      ILE  82   5.936   5.203  -2.788
 1787   HD11  ILE  82          HD11      ILE  82   8.798   3.142  -2.624
 1788   HD12  ILE  82          HD12      ILE  82   9.079   1.601  -1.807
 1789   HD13  ILE  82          HD13      ILE  82   7.653   1.801  -2.831
 1790    H    ALA  83           H        ALA  83   3.568   4.353  -0.405
 1791    HA   ALA  83           HA       ALA  83   2.923   6.480  -2.110
 1792    HB1  ALA  83           HB1      ALA  83   1.535   4.470  -1.712
 1793    HB2  ALA  83           HB2      ALA  83   1.089   5.136  -0.142
 1794    HB3  ALA  83           HB3      ALA  83   0.629   5.985  -1.621
 1795    H    MET  84           H        MET  84   2.699   6.221   1.409
 1796    HA   MET  84           HA       MET  84   1.657   8.880   1.736
 1797    HB2  MET  84           HB2      MET  84   0.989   7.161   3.235
 1798    HB3  MET  84           HB3      MET  84   2.658   6.799   3.640
 1799    HG2  MET  84           HG2      MET  84   2.827   9.069   4.643
 1800    HG3  MET  84           HG3      MET  84   1.087   9.246   4.376
 1801    HE1  MET  84           HE1      MET  84   2.023   5.757   4.689
 1802    HE2  MET  84           HE2      MET  84   3.483   6.338   5.546
 1803    HE3  MET  84           HE3      MET  84   2.241   5.378   6.425
 1804    H    MET  85           H        MET  85   4.794   7.429   1.687
 1805    HA   MET  85           HA       MET  85   6.104   9.777   2.706
 1806    HB2  MET  85           HB2      MET  85   6.945   7.377   2.815
 1807    HB3  MET  85           HB3      MET  85   7.405   7.601   1.123
 1808    HG2  MET  85           HG2      MET  85   8.324   9.825   2.622
 1809    HG3  MET  85           HG3      MET  85   8.821   8.351   3.441
 1810    HE1  MET  85           HE1      MET  85  10.680   6.370   1.827
 1811    HE2  MET  85           HE2      MET  85   8.892   6.429   1.766
 1812    HE3  MET  85           HE3      MET  85   9.846   6.385   0.259
 1813    H    CYS  86           H        CYS  86   4.875   8.603  -0.248
 1814    HA   CYS  86           HA       CYS  86   6.089  10.573  -1.946
 1815    HB2  CYS  86           HB2      CYS  86   5.296   8.562  -2.987
 1816    HB3  CYS  86           HB3      CYS  86   3.707   8.736  -2.251
 1817    HG   CYS  86           HG       CYS  86   2.647  10.307  -4.028
 1818    H    ASN  87           H        ASN  87   3.272  10.267   0.049
 1819    HA   ASN  87           HA       ASN  87   1.638  12.280  -0.852
 1820    HB2  ASN  87           HB2      ASN  87   0.888  10.824   0.883
 1821    HB3  ASN  87           HB3      ASN  87   2.191  11.322   1.957
 1822   HD21  ASN  87          HD21      ASN  87  -0.801  12.291   0.454
 1823   HD22  ASN  87          HD22      ASN  87  -1.172  13.555   1.572
 1824    H    GLU  88           H        GLU  88   4.368  12.539   1.391
 1825    HA   GLU  88           HA       GLU  88   4.051  15.310   1.829
 1826    HB2  GLU  88           HB2      GLU  88   6.402  15.164   2.751
 1827    HB3  GLU  88           HB3      GLU  88   5.213  14.110   3.498
 1828    HG2  GLU  88           HG2      GLU  88   6.156  12.374   1.751
 1829    HG3  GLU  88           HG3      GLU  88   7.557  13.437   1.802
 1830    H    PHE  89           H        PHE  89   5.641  13.493  -0.691
 1831    HA   PHE  89           HA       PHE  89   6.982  15.864  -1.723
 1832    HB2  PHE  89           HB2      PHE  89   6.908  12.982  -2.577
 1833    HB3  PHE  89           HB3      PHE  89   7.629  14.231  -3.590
 1834    HD1  PHE  89           HD1      PHE  89   7.877  12.469  -0.376
 1835    HD2  PHE  89           HD2      PHE  89   9.749  15.152  -3.093
 1836    HE1  PHE  89           HE1      PHE  89   9.992  12.245   0.863
 1837    HE2  PHE  89           HE2      PHE  89  11.867  14.938  -1.859
 1838    HZ   PHE  89           HZ       PHE  89  11.989  13.481   0.122
 1839    H    PHE  90           H        PHE  90   4.899  13.431  -3.287
 1840    HA   PHE  90           HA       PHE  90   4.491  15.167  -5.533
 1841    HB2  PHE  90           HB2      PHE  90   4.754  12.786  -5.880
 1842    HB3  PHE  90           HB3      PHE  90   3.367  12.446  -4.850
 1843    HD1  PHE  90           HD1      PHE  90   4.223  14.371  -7.933
 1844    HD2  PHE  90           HD2      PHE  90   1.354  12.012  -5.859
 1845    HE1  PHE  90           HE1      PHE  90   2.756  14.430  -9.904
 1846    HE2  PHE  90           HE2      PHE  90  -0.120  12.068  -7.828
 1847    HZ   PHE  90           HZ       PHE  90   0.581  13.278  -9.855
 1848    H    GLU  91           H        GLU  91   2.574  14.147  -2.784
 1849    HA   GLU  91           HA       GLU  91   0.116  15.131  -3.879
 1850    HB2  GLU  91           HB2      GLU  91   0.823  14.287  -1.065
 1851    HB3  GLU  91           HB3      GLU  91  -0.798  14.657  -1.636
 1852    HG2  GLU  91           HG2      GLU  91   0.927  12.494  -2.790
 1853    HG3  GLU  91           HG3      GLU  91  -0.295  12.243  -1.541
 1854    H    GLY  92           H        GLY  92   2.780  16.631  -2.660
 1855    HA2  GLY  92           HA2      GLY  92   3.219  18.811  -2.107
 1856    HA3  GLY  92           HA3      GLY  92   1.666  19.192  -2.833
 1857    H    PHE  93           H        PHE  93   2.362  17.209   0.010
 1858    HA   PHE  93           HA       PHE  93   0.522  18.903   1.526
 1859    HB2  PHE  93           HB2      PHE  93   0.300  16.329   1.374
 1860    HB3  PHE  93           HB3      PHE  93   1.685  16.287   2.463
 1861    HD1  PHE  93           HD1      PHE  93  -1.675  17.873   2.163
 1862    HD2  PHE  93           HD2      PHE  93   1.299  16.230   4.726
 1863    HE1  PHE  93           HE1      PHE  93  -3.188  18.137   4.084
 1864    HE2  PHE  93           HE2      PHE  93  -0.209  16.494   6.651
 1865    HZ   PHE  93           HZ       PHE  93  -2.456  17.448   6.332
 1866    HA   PRO  94           HA       PRO  94   4.319  20.517   3.195
 1867    HB2  PRO  94           HB2      PRO  94   3.255  22.646   4.482
 1868    HB3  PRO  94           HB3      PRO  94   3.462  22.606   2.728
 1869    HG2  PRO  94           HG2      PRO  94   1.003  22.174   4.360
 1870    HG3  PRO  94           HG3      PRO  94   1.186  22.997   2.801
 1871    HD2  PRO  94           HD2      PRO  94   0.252  20.417   3.119
 1872    HD3  PRO  94           HD3      PRO  94   0.969  21.054   1.626
 1873    H    ASP  95           H        ASP  95   3.465  18.321   4.427
 1874    HA   ASP  95           HA       ASP  95   2.861  18.717   7.206
 1875    HB2  ASP  95           HB2      ASP  95   2.194  16.654   6.077
 1876    HB3  ASP  95           HB3      ASP  95   3.874  16.287   5.705
 1877    H    LYS  96           H        LYS  96   5.715  18.174   5.259
 1878    HA   LYS  96           HA       LYS  96   7.376  18.681   7.628
 1879    HB2  LYS  96           HB2      LYS  96   7.962  16.974   5.210
 1880    HB3  LYS  96           HB3      LYS  96   9.148  17.391   6.434
 1881    HG2  LYS  96           HG2      LYS  96   7.915  16.219   8.118
 1882    HG3  LYS  96           HG3      LYS  96   6.584  15.931   6.997
 1883    HD2  LYS  96           HD2      LYS  96   8.137  14.615   5.579
 1884    HD3  LYS  96           HD3      LYS  96   9.380  14.820   6.818
 1885    HE2  LYS  96           HE2      LYS  96   8.076  13.624   8.420
 1886    HE3  LYS  96           HE3      LYS  96   6.680  13.595   7.342
 1887    HZ1  LYS  96           HZ1      LYS  96   7.988  12.220   5.804
 1888    HZ2  LYS  96           HZ2      LYS  96   7.771  11.480   7.316
 1889    HZ3  LYS  96           HZ3      LYS  96   9.263  12.182   6.927
 1890    H    GLN  97           H        GLN  97   7.720  20.809   7.476
 1891    HA   GLN  97           HA       GLN  97   8.474  21.997   4.932
 1892    HB2  GLN  97           HB2      GLN  97   8.061  23.240   7.655
 1893    HB3  GLN  97           HB3      GLN  97   8.442  24.137   6.191
 1894    HG2  GLN  97           HG2      GLN  97   6.366  23.309   5.168
 1895    HG3  GLN  97           HG3      GLN  97   5.976  22.479   6.672
 1896   HE21  GLN  97          HE21      GLN  97   7.030  24.633   8.331
 1897   HE22  GLN  97          HE22      GLN  97   5.881  25.921   8.241
 1898    HA   PRO  98           HA       PRO  98  12.561  22.761   7.318
 1899    HB2  PRO  98           HB2      PRO  98  13.016  21.605   9.697
 1900    HB3  PRO  98           HB3      PRO  98  12.113  23.117   9.558
 1901    HG2  PRO  98           HG2      PRO  98  11.093  20.326   9.909
 1902    HG3  PRO  98           HG3      PRO  98  10.563  21.818  10.705
 1903    HD2  PRO  98           HD2      PRO  98   9.266  20.688   8.579
 1904    HD3  PRO  98           HD3      PRO  98   9.223  22.422   8.950
 1905    H    ARG  99           H        ARG  99  11.319  20.160   6.160
 1906    HA   ARG  99           HA       ARG  99  13.702  18.465   6.500
 1907    HB2  ARG  99           HB2      ARG  99  10.894  17.692   5.673
 1908    HB3  ARG  99           HB3      ARG  99  12.266  16.595   5.705
 1909    HG2  ARG  99           HG2      ARG  99  11.091  18.015   8.086
 1910    HG3  ARG  99           HG3      ARG  99  10.853  16.317   7.666
 1911    HD2  ARG  99           HD2      ARG  99  13.289  15.964   7.869
 1912    HD3  ARG  99           HD3      ARG  99  13.467  17.643   8.376
 1913    HE   ARG  99           HE       ARG  99  11.580  16.312  10.023
 1914   HH11  ARG  99          HH12      ARG  99  15.012  16.612   9.414
 1915   HH12  ARG  99          HH11      ARG  99  15.481  16.103  11.010
 1916   HH21  ARG  99          HH22      ARG  99  12.180  15.663  12.144
 1917   HH22  ARG  99          HH21      ARG  99  13.863  15.564  12.560
 1918    H    LYS 100           H        LYS 100  13.971  17.036   4.405
 1919    HA   LYS 100           HA       LYS 100  14.213  18.902   2.215
 1920    HB2  LYS 100           HB2      LYS 100  15.159  16.087   2.667
 1921    HB3  LYS 100           HB3      LYS 100  15.194  16.793   1.058
 1922    HG2  LYS 100           HG2      LYS 100  17.346  17.080   2.033
 1923    HG3  LYS 100           HG3      LYS 100  16.566  18.660   1.977
 1924    HD2  LYS 100           HD2      LYS 100  15.852  18.197   4.385
 1925    HD3  LYS 100           HD3      LYS 100  17.023  16.877   4.353
 1926    HE2  LYS 100           HE2      LYS 100  17.566  19.814   3.936
 1927    HE3  LYS 100           HE3      LYS 100  18.065  18.823   5.306
 1928    HZ1  LYS 100           HZ1      LYS 100  19.928  19.076   3.894
 1929    HZ2  LYS 100           HZ2      LYS 100  19.040  18.665   2.510
 1930    HZ3  LYS 100           HZ3      LYS 100  19.383  17.483   3.679
 1931    H    LYS 101           H        LYS 101  13.011  18.965   0.419
 1932    HA   LYS 101           HA       LYS 101  11.132  16.906  -0.268
 1933    HB2  LYS 101           HB2      LYS 101   9.934  17.956   1.584
 1934    HB3  LYS 101           HB3      LYS 101  10.140  19.539   0.850
 1935    HG2  LYS 101           HG2      LYS 101   8.714  18.908  -0.995
 1936    HG3  LYS 101           HG3      LYS 101   8.572  17.271  -0.354
 1937    HD2  LYS 101           HD2      LYS 101   6.587  18.455   0.240
 1938    HD3  LYS 101           HD3      LYS 101   7.543  18.252   1.704
 1939    HE2  LYS 101           HE2      LYS 101   7.679  20.755   0.051
 1940    HE3  LYS 101           HE3      LYS 101   6.447  20.526   1.289
 1941    HZ1  LYS 101           HZ1      LYS 101   8.296  20.148   2.888
 1942    HZ2  LYS 101           HZ2      LYS 101   8.244  21.713   2.248
 1943    HZ3  LYS 101           HZ3      LYS 101   9.391  20.606   1.678
  Start of MODEL   15
    1    H1   GLN1897           H1       GLN1897 -21.677  -9.471   3.234
    2    H2   GLN1897           H2       GLN1897 -20.590 -10.665   3.748
    3    H3   GLN1897           H3       GLN1897 -21.789 -11.047   2.610
    4    HA   GLN1897           HA       GLN1897 -19.610 -10.805   1.592
    5    HB2  GLN1897           HB2      GLN1897 -21.444 -10.334   0.145
    6    HB3  GLN1897           HB3      GLN1897 -21.738  -8.776   0.900
    7    HG2  GLN1897           HG2      GLN1897 -20.690  -8.689  -1.372
    8    HG3  GLN1897           HG3      GLN1897 -19.809  -7.812  -0.118
    9   HE21  GLN1897          HE21      GLN1897 -17.926  -7.887  -1.245
   10   HE22  GLN1897          HE22      GLN1897 -16.981  -9.318  -1.390
   11    H    ARG1898           H        ARG1898 -17.839 -10.170   2.769
   12    HA   ARG1898           HA       ARG1898 -16.979  -7.555   2.199
   13    HB2  ARG1898           HB2      ARG1898 -18.402  -7.052   4.155
   14    HB3  ARG1898           HB3      ARG1898 -17.398  -8.119   5.129
   15    HG2  ARG1898           HG2      ARG1898 -16.643  -5.930   5.548
   16    HG3  ARG1898           HG3      ARG1898 -15.439  -6.682   4.505
   17    HD2  ARG1898           HD2      ARG1898 -17.553  -4.684   3.722
   18    HD3  ARG1898           HD3      ARG1898 -15.809  -4.440   3.761
   19    HE   ARG1898           HE       ARG1898 -16.323  -6.508   1.960
   20   HH11  ARG1898          HH12      ARG1898 -16.982  -3.087   2.277
   21   HH12  ARG1898          HH11      ARG1898 -17.031  -2.810   0.565
   22   HH21  ARG1898          HH22      ARG1898 -16.363  -6.159  -0.288
   23   HH22  ARG1898          HH21      ARG1898 -16.688  -4.560  -0.899
   24    H    GLU1899           H        GLU1899 -15.215  -8.392   1.338
   25    HA   GLU1899           HA       GLU1899 -13.331 -10.014   2.748
   26    HB2  GLU1899           HB2      GLU1899 -11.785  -9.108   0.931
   27    HB3  GLU1899           HB3      GLU1899 -13.196  -9.988   0.357
   28    HG2  GLU1899           HG2      GLU1899 -13.343  -7.038   0.688
   29    HG3  GLU1899           HG3      GLU1899 -12.542  -7.686  -0.724
   30    H    LEU1900           H        LEU1900 -14.109  -6.643   2.404
   31    HA   LEU1900           HA       LEU1900 -11.630  -5.606   3.310
   32    HB2  LEU1900           HB2      LEU1900 -14.360  -4.363   2.984
   33    HB3  LEU1900           HB3      LEU1900 -13.019  -3.494   3.683
   34    HG   LEU1900           HG       LEU1900 -13.077  -2.789   1.491
   35   HD11  LEU1900          HD11      LEU1900 -11.034  -3.632   0.462
   36   HD12  LEU1900          HD12      LEU1900 -10.847  -3.276   2.180
   37   HD13  LEU1900          HD13      LEU1900 -11.006  -4.947   1.637
   38   HD21  LEU1900          HD21      LEU1900 -13.402  -5.634   0.664
   39   HD22  LEU1900          HD22      LEU1900 -14.592  -4.333   0.567
   40   HD23  LEU1900          HD23      LEU1900 -13.146  -4.278  -0.438
   41    H    GLU1901           H        GLU1901 -13.840  -7.343   4.969
   42    HA   GLU1901           HA       GLU1901 -13.888  -5.892   7.443
   43    HB2  GLU1901           HB2      GLU1901 -15.670  -7.459   6.866
   44    HB3  GLU1901           HB3      GLU1901 -14.520  -8.785   6.825
   45    HG2  GLU1901           HG2      GLU1901 -14.133  -8.569   9.195
   46    HG3  GLU1901           HG3      GLU1901 -15.183  -7.152   9.263
   47    H    ASP1902           H        ASP1902 -12.205  -8.784   6.248
   48    HA   ASP1902           HA       ASP1902 -10.325  -8.657   8.464
   49    HB2  ASP1902           HB2      ASP1902 -10.549 -10.564   6.123
   50    HB3  ASP1902           HB3      ASP1902  -9.327 -10.683   7.384
   51    H    ALA1903           H        ALA1903 -10.625  -7.752   5.168
   52    HA   ALA1903           HA       ALA1903  -8.056  -7.485   4.226
   53    HB1  ALA1903           HB1      ALA1903 -10.189  -6.887   3.013
   54    HB2  ALA1903           HB2      ALA1903 -10.185  -5.367   3.918
   55    HB3  ALA1903           HB3      ALA1903  -8.863  -5.739   2.805
   56    H    THR1904           H        THR1904  -9.900  -4.861   5.636
   57    HA   THR1904           HA       THR1904  -7.406  -3.433   6.036
   58    HB   THR1904           HB       THR1904  -8.862  -1.424   6.051
   59    HG1  THR1904           HG1      THR1904 -11.015  -1.624   5.906
   60   HG21  THR1904          HG21      THR1904  -7.872  -2.207   3.966
   61   HG22  THR1904          HG22      THR1904  -9.496  -1.591   3.659
   62   HG23  THR1904          HG23      THR1904  -9.213  -3.328   3.728
   63    H    GLU1905           H        GLU1905  -9.450  -5.305   7.768
   64    HA   GLU1905           HA       GLU1905  -9.496  -4.254  10.332
   65    HB2  GLU1905           HB2      GLU1905 -10.301  -6.511   9.751
   66    HB3  GLU1905           HB3      GLU1905  -8.648  -7.004   9.406
   67    HG2  GLU1905           HG2      GLU1905  -9.130  -7.887  11.520
   68    HG3  GLU1905           HG3      GLU1905  -8.119  -6.475  11.815
   69    H    THR1906           H        THR1906  -6.983  -5.945   8.576
   70    HA   THR1906           HA       THR1906  -4.913  -5.544  10.467
   71    HB   THR1906           HB       THR1906  -4.214  -6.018   7.624
   72    HG1  THR1906           HG1      THR1906  -5.848  -7.398   7.443
   73   HG21  THR1906          HG21      THR1906  -2.582  -6.249   9.446
   74   HG22  THR1906          HG22      THR1906  -2.853  -7.788   8.627
   75   HG23  THR1906          HG23      THR1906  -3.601  -7.479  10.196
   76    H    ALA1907           H        ALA1907  -6.305  -3.619   7.943
   77    HA   ALA1907           HA       ALA1907  -4.145  -1.981   7.307
   78    HB1  ALA1907           HB1      ALA1907  -7.041  -1.157   7.472
   79    HB2  ALA1907           HB2      ALA1907  -5.756  -0.240   6.678
   80    HB3  ALA1907           HB3      ALA1907  -6.229  -1.831   6.055
   81    H    ASP1908           H        ASP1908  -6.464  -1.735   9.961
   82    HA   ASP1908           HA       ASP1908  -5.589   0.656  11.081
   83    HB2  ASP1908           HB2      ASP1908  -7.601  -0.645  11.808
   84    HB3  ASP1908           HB3      ASP1908  -6.523  -1.782  12.613
   85    H    ALA1909           H        ALA1909  -4.327  -2.629  11.477
   86    HA   ALA1909           HA       ALA1909  -2.379  -1.946  13.436
   87    HB1  ALA1909           HB1      ALA1909  -2.399  -4.292  11.547
   88    HB2  ALA1909           HB2      ALA1909  -1.414  -4.129  13.001
   89    HB3  ALA1909           HB3      ALA1909  -3.170  -4.241  13.132
   90    H    MET1910           H        MET1910  -1.857  -2.882   9.993
   91    HA   MET1910           HA       MET1910   0.639  -1.923   9.589
   92    HB2  MET1910           HB2      MET1910  -0.384  -2.980   7.775
   93    HB3  MET1910           HB3      MET1910  -1.760  -1.890   7.784
   94    HG2  MET1910           HG2      MET1910  -0.328  -0.072   6.962
   95    HG3  MET1910           HG3      MET1910   1.060  -1.163   6.970
   96    HE1  MET1910           HE1      MET1910  -0.384  -3.853   6.050
   97    HE2  MET1910           HE2      MET1910  -0.123  -3.822   4.307
   98    HE3  MET1910           HE3      MET1910   1.185  -3.365   5.403
   99    H    ASN1911           H        ASN1911  -2.199   0.115  10.055
  100    HA   ASN1911           HA       ASN1911  -1.021   2.450   8.923
  101    HB2  ASN1911           HB2      ASN1911  -3.468   2.145   9.285
  102    HB3  ASN1911           HB3      ASN1911  -3.189   2.322  11.011
  103   HD21  ASN1911          HD21      ASN1911  -3.153   3.899   7.945
  104   HD22  ASN1911          HD22      ASN1911  -3.117   5.512   8.538
  105    H    ARG1912           H        ARG1912  -1.010   1.082  12.155
  106    HA   ARG1912           HA       ARG1912  -0.032   3.417  13.456
  107    HB2  ARG1912           HB2      ARG1912   0.543   0.633  14.413
  108    HB3  ARG1912           HB3      ARG1912   0.243   2.073  15.367
  109    HG2  ARG1912           HG2      ARG1912  -1.741   0.368  13.905
  110    HG3  ARG1912           HG3      ARG1912  -1.673   0.751  15.624
  111    HD2  ARG1912           HD2      ARG1912  -2.202   2.776  13.450
  112    HD3  ARG1912           HD3      ARG1912  -3.468   1.944  14.356
  113    HE   ARG1912           HE       ARG1912  -1.819   3.110  16.244
  114   HH11  ARG1912          HH12      ARG1912  -3.765   4.187  13.546
  115   HH12  ARG1912          HH11      ARG1912  -4.187   5.705  14.275
  116   HH21  ARG1912          HH22      ARG1912  -2.380   5.104  17.232
  117   HH22  ARG1912          HH21      ARG1912  -3.379   6.236  16.369
  118    H    GLU1913           H        GLU1913   1.410   0.646  11.916
  119    HA   GLU1913           HA       GLU1913   4.102   1.485  12.550
  120    HB2  GLU1913           HB2      GLU1913   4.761  -0.506  11.263
  121    HB3  GLU1913           HB3      GLU1913   3.592  -0.888  12.522
  122    HG2  GLU1913           HG2      GLU1913   1.805  -0.835  10.833
  123    HG3  GLU1913           HG3      GLU1913   3.025  -0.554   9.585
  124    H    VAL1914           H        VAL1914   1.853   1.682   9.872
  125    HA   VAL1914           HA       VAL1914   3.686   2.107   7.788
  126    HB   VAL1914           HB       VAL1914   1.097   1.727   7.681
  127   HG11  VAL1914          HG11      VAL1914  -0.169   3.782   7.200
  128   HG12  VAL1914          HG12      VAL1914   0.383   3.698   8.878
  129   HG13  VAL1914          HG13      VAL1914   1.227   4.732   7.718
  130   HG21  VAL1914          HG21      VAL1914   2.506   1.824   5.729
  131   HG22  VAL1914          HG22      VAL1914   1.002   2.704   5.447
  132   HG23  VAL1914          HG23      VAL1914   2.493   3.589   5.777
  133    H    SER1915           H        SER1915   2.286   4.229  10.158
  134    HA   SER1915           HA       SER1915   3.241   6.575   8.848
  135    HB2  SER1915           HB2      SER1915   2.409   7.651  11.001
  136    HB3  SER1915           HB3      SER1915   1.244   6.800   9.979
  137    HG   SER1915           HG       SER1915   0.966   5.326  11.480
  138    H    SER1916           H        SER1916   4.302   4.397  11.356
  139    HA   SER1916           HA       SER1916   6.534   6.041  12.164
  140    HB2  SER1916           HB2      SER1916   5.464   4.474  13.739
  141    HB3  SER1916           HB3      SER1916   5.935   3.120  12.714
  142    HG   SER1916           HG       SER1916   7.880   3.196  13.509
  143    H    LEU1917           H        LEU1917   5.973   3.351   9.963
  144    HA   LEU1917           HA       LEU1917   8.718   2.925   9.379
  145    HB2  LEU1917           HB2      LEU1917   6.967   1.163   9.164
  146    HB3  LEU1917           HB3      LEU1917   6.307   2.036   7.797
  147    HG   LEU1917           HG       LEU1917   9.131   0.958   7.849
  148   HD11  LEU1917          HD11      LEU1917   8.250  -0.811   6.344
  149   HD12  LEU1917          HD12      LEU1917   7.683  -0.936   8.014
  150   HD13  LEU1917          HD13      LEU1917   6.618  -0.290   6.764
  151   HD21  LEU1917          HD21      LEU1917   7.400   1.703   5.515
  152   HD22  LEU1917          HD22      LEU1917   8.532   2.821   6.278
  153   HD23  LEU1917          HD23      LEU1917   9.128   1.345   5.519
  154    H    LYS1918           H        LYS1918   6.024   4.378   7.529
  155    HA   LYS1918           HA       LYS1918   7.565   5.394   5.456
  156    HB2  LYS1918           HB2      LYS1918   5.336   5.554   5.038
  157    HB3  LYS1918           HB3      LYS1918   4.953   6.083   6.664
  158    HG2  LYS1918           HG2      LYS1918   6.489   7.974   5.027
  159    HG3  LYS1918           HG3      LYS1918   4.837   7.641   4.494
  160    HD2  LYS1918           HD2      LYS1918   3.899   8.439   6.470
  161    HD3  LYS1918           HD3      LYS1918   5.407   8.222   7.365
  162    HE2  LYS1918           HE2      LYS1918   5.207  10.530   7.030
  163    HE3  LYS1918           HE3      LYS1918   6.413   9.959   5.883
  164    HZ1  LYS1918           HZ1      LYS1918   3.645  10.834   5.343
  165    HZ2  LYS1918           HZ2      LYS1918   4.485   9.875   4.240
  166    HZ3  LYS1918           HZ3      LYS1918   5.083  11.404   4.653
  167    H    ASN1919           H        ASN1919   7.410   6.341   8.739
  168    HA   ASN1919           HA       ASN1919   8.647   8.905   8.468
  169    HB2  ASN1919           HB2      ASN1919   7.191   8.093  10.412
  170    HB3  ASN1919           HB3      ASN1919   8.593   7.177  10.944
  171   HD21  ASN1919          HD21      ASN1919   7.154   9.324  12.251
  172   HD22  ASN1919          HD22      ASN1919   8.311  10.573  12.570
  173    H    LYS1920           H        LYS1920   9.767   5.562   8.910
  174    HA   LYS1920           HA       LYS1920  12.468   6.462   9.399
  175    HB2  LYS1920           HB2      LYS1920  12.950   3.892   9.107
  176    HB3  LYS1920           HB3      LYS1920  12.290   4.532  10.594
  177    HG2  LYS1920           HG2      LYS1920  10.052   3.783   9.909
  178    HG3  LYS1920           HG3      LYS1920  10.724   3.079   8.424
  179    HD2  LYS1920           HD2      LYS1920  12.197   1.661   9.816
  180    HD3  LYS1920           HD3      LYS1920  11.452   2.328  11.269
  181    HE2  LYS1920           HE2      LYS1920   9.320   1.387  10.667
  182    HE3  LYS1920           HE3      LYS1920   9.947   0.862   9.106
  183    HZ1  LYS1920           HZ1      LYS1920  11.442  -0.649  10.260
  184    HZ2  LYS1920           HZ2      LYS1920   9.834  -0.973  10.678
  185    HZ3  LYS1920           HZ3      LYS1920  10.840  -0.141  11.759
  186    H    LEU1921           H        LEU1921  10.538   5.306   6.745
  187    HA   LEU1921           HA       LEU1921  12.728   5.138   4.920
  188    HB2  LEU1921           HB2      LEU1921   9.824   5.671   4.278
  189    HB3  LEU1921           HB3      LEU1921  11.054   5.105   3.165
  190    HG   LEU1921           HG       LEU1921   9.647   3.608   5.339
  191   HD11  LEU1921          HD11      LEU1921   8.727   3.487   3.109
  192   HD12  LEU1921          HD12      LEU1921  10.289   2.973   2.468
  193   HD13  LEU1921          HD13      LEU1921   9.407   1.926   3.584
  194   HD21  LEU1921          HD21      LEU1921  12.012   3.245   5.785
  195   HD22  LEU1921          HD22      LEU1921  11.252   1.788   5.147
  196   HD23  LEU1921          HD23      LEU1921  12.266   2.783   4.103
  197    H    ARG1922           H        ARG1922  10.794   7.631   6.230
  198    HA   ARG1922           HA       ARG1922  11.850   9.683   4.462
  199    HB2  ARG1922           HB2      ARG1922   9.785   9.542   6.604
  200    HB3  ARG1922           HB3      ARG1922  10.505  11.096   6.272
  201    HG2  ARG1922           HG2      ARG1922   8.992   9.351   4.349
  202    HG3  ARG1922           HG3      ARG1922   8.446  10.866   5.064
  203    HD2  ARG1922           HD2      ARG1922  10.687  10.478   3.085
  204    HD3  ARG1922           HD3      ARG1922   9.141  11.273   2.803
  205    HE   ARG1922           HE       ARG1922  11.472  12.397   4.092
  206   HH11  ARG1922          HH12      ARG1922   7.984  12.696   3.658
  207   HH12  ARG1922          HH11      ARG1922   7.969  14.398   4.028
  208   HH21  ARG1922          HH22      ARG1922  11.427  14.623   4.555
  209   HH22  ARG1922          HH21      ARG1922   9.923  15.493   4.531
  210    H    ARG1923           H        ARG1923  13.177   8.034   6.927
  211    HA   ARG1923           HA       ARG1923  13.908  10.152   8.714
  212    HB2  ARG1923           HB2      ARG1923  13.638   7.703   9.330
  213    HB3  ARG1923           HB3      ARG1923  15.200   7.432   8.568
  214    HG2  ARG1923           HG2      ARG1923  16.303   8.820  10.150
  215    HG3  ARG1923           HG3      ARG1923  14.770   9.393  10.805
  216    HD2  ARG1923           HD2      ARG1923  15.619   7.785  12.331
  217    HD3  ARG1923           HD3      ARG1923  14.281   7.026  11.472
  218    HE   ARG1923           HE       ARG1923  16.897   6.528  10.333
  219   HH11  ARG1923          HH12      ARG1923  14.413   5.400  12.555
  220   HH12  ARG1923          HH11      ARG1923  15.050   3.784  12.622
  221   HH21  ARG1923          HH22      ARG1923  17.708   4.398  10.439
  222   HH22  ARG1923          HH21      ARG1923  16.904   3.212  11.426
  223    H    GLY1924           H        GLY1924  15.675   8.303   6.226
  224    HA2  GLY1924           HA2      GLY1924  17.048   9.968   4.848
  225    HA3  GLY1924           HA3      GLY1924  17.805  10.334   6.394
  226    H    ASP1925           H        ASP1925  17.315   7.365   6.983
  227    HA   ASP1925           HA       ASP1925  19.861   6.359   6.250
  228    HB2  ASP1925           HB2      ASP1925  17.387   4.926   7.255
  229    HB3  ASP1925           HB3      ASP1925  18.986   4.202   7.140
  230    H    LEU1926           H        LEU1926  16.928   6.605   4.597
  231    HA   LEU1926           HA       LEU1926  16.997   4.123   3.206
  232    HB2  LEU1926           HB2      LEU1926  15.291   6.547   3.178
  233    HB3  LEU1926           HB3      LEU1926  15.230   5.484   1.787
  234    HG   LEU1926           HG       LEU1926  13.878   5.224   4.289
  235   HD11  LEU1926          HD11      LEU1926  12.750   3.436   3.070
  236   HD12  LEU1926          HD12      LEU1926  12.968   4.854   2.044
  237   HD13  LEU1926          HD13      LEU1926  14.019   3.449   1.845
  238   HD21  LEU1926          HD21      LEU1926  15.662   2.874   3.630
  239   HD22  LEU1926          HD22      LEU1926  15.867   3.948   5.015
  240   HD23  LEU1926          HD23      LEU1926  14.423   2.946   4.882
  241    HA   PRO1927           HA       PRO1927  19.336   5.433  -0.401
  242    HB2  PRO1927           HB2      PRO1927  19.256   3.045  -1.618
  243    HB3  PRO1927           HB3      PRO1927  20.327   3.337  -0.240
  244    HG2  PRO1927           HG2      PRO1927  17.671   1.962  -0.325
  245    HG3  PRO1927           HG3      PRO1927  19.142   1.498   0.548
  246    HD2  PRO1927           HD2      PRO1927  17.028   2.785   1.712
  247    HD3  PRO1927           HD3      PRO1927  18.699   2.914   2.293
  248    H    PHE1928           H        PHE1928  16.142   4.776   0.085
  249    HA   PHE1928           HA       PHE1928  15.470   5.243  -2.708
  250    HB2  PHE1928           HB2      PHE1928  14.439   3.260  -3.025
  251    HB3  PHE1928           HB3      PHE1928  15.347   2.731  -1.641
  252    HD1  PHE1928           HD2      PHE1928  12.143   4.576  -2.187
  253    HD2  PHE1928           HD1      PHE1928  14.234   1.448  -0.231
  254    HE1  PHE1928           HE2      PHE1928  10.076   3.925  -1.056
  255    HE2  PHE1928           HE1      PHE1928  12.145   0.772   0.898
  256    HZ   PHE1928           HZ       PHE1928  10.078   2.022   0.473
  257    H    VAL1929           H        VAL1929  13.645   6.439  -3.024
  258    HA   VAL1929           HA       VAL1929  11.844   7.142  -0.920
  259    HB   VAL1929           HB       VAL1929  12.446   9.643  -1.194
  260   HG11  VAL1929          HG11      VAL1929  13.969   9.536   0.699
  261   HG12  VAL1929          HG12      VAL1929  12.631   8.399   0.891
  262   HG13  VAL1929          HG13      VAL1929  14.218   7.812   0.399
  263   HG21  VAL1929          HG21      VAL1929  15.039   8.309  -1.926
  264   HG22  VAL1929          HG22      VAL1929  14.027   9.274  -3.000
  265   HG23  VAL1929          HG23      VAL1929  14.823  10.037  -1.617
  266    H    VAL1930           H        VAL1930  10.187   8.592  -1.603
  267    HA   VAL1930           HA       VAL1930   9.565   8.352  -4.369
  268    HB   VAL1930           HB       VAL1930   8.201  10.048  -2.278
  269   HG11  VAL1930          HG11      VAL1930   7.730  10.790  -4.547
  270   HG12  VAL1930          HG12      VAL1930   7.282   9.147  -5.003
  271   HG13  VAL1930          HG13      VAL1930   6.308  10.033  -3.830
  272   HG21  VAL1930          HG21      VAL1930   6.541   8.229  -2.227
  273   HG22  VAL1930          HG22      VAL1930   7.586   7.274  -3.278
  274   HG23  VAL1930          HG23      VAL1930   8.134   7.713  -1.658
  275    HA   PRO1931           HA       PRO1931  11.548  12.152  -5.793
  276    HB2  PRO1931           HB2      PRO1931  10.203  12.040  -8.215
  277    HB3  PRO1931           HB3      PRO1931  11.760  11.276  -7.884
  278    HG2  PRO1931           HG2      PRO1931   9.026  10.079  -7.923
  279    HG3  PRO1931           HG3      PRO1931  10.573   9.380  -8.444
  280    HD2  PRO1931           HD2      PRO1931   9.387   8.714  -6.115
  281    HD3  PRO1931           HD3      PRO1931  11.154   8.756  -6.291
  282    H    ARG1932           H        ARG1932  10.592  14.198  -6.808
  283    HA   ARG1932           HA       ARG1932   8.567  15.143  -5.108
  284    HB2  ARG1932           HB2      ARG1932  10.269  16.601  -6.140
  285    HB3  ARG1932           HB3      ARG1932   9.512  16.352  -7.707
  286    HG2  ARG1932           HG2      ARG1932   8.875  18.493  -6.754
  287    HG3  ARG1932           HG3      ARG1932   7.477  17.429  -6.909
  288    HD2  ARG1932           HD2      ARG1932   7.725  16.833  -4.515
  289    HD3  ARG1932           HD3      ARG1932   9.036  18.007  -4.391
  290    HE   ARG1932           HE       ARG1932   6.816  19.325  -5.440
  291   HH11  ARG1932          HH12      ARG1932   7.798  17.794  -2.445
  292   HH12  ARG1932          HH11      ARG1932   6.759  18.765  -1.456
  293   HH21  ARG1932          HH22      ARG1932   5.436  20.600  -4.147
  294   HH22  ARG1932          HH21      ARG1932   5.422  20.378  -2.420
  295    H    ARG1933           H        ARG1933   8.477  13.791  -8.286
  296    HA   ARG1933           HA       ARG1933   5.550  13.642  -8.085
  297    HB2  ARG1933           HB2      ARG1933   7.129  14.133 -10.631
  298    HB3  ARG1933           HB3      ARG1933   5.392  13.893 -10.535
  299    HG2  ARG1933           HG2      ARG1933   5.172  15.960  -9.256
  300    HG3  ARG1933           HG3      ARG1933   6.919  16.199  -9.342
  301    HD2  ARG1933           HD2      ARG1933   5.785  17.545 -11.019
  302    HD3  ARG1933           HD3      ARG1933   6.780  16.306 -11.782
  303    HE   ARG1933           HE       ARG1933   4.025  15.538 -11.394
  304   HH11  ARG1933          HH12      ARG1933   6.315  17.095 -13.540
  305   HH12  ARG1933          HH11      ARG1933   5.333  16.860 -14.957
  306   HH21  ARG1933          HH22      ARG1933   2.741  15.230 -13.248
  307   HH22  ARG1933          HH21      ARG1933   3.303  15.791 -14.798
  308    H    MET1934           H        MET1934   5.122  11.948 -10.239
  309    HA   MET1934           HA       MET1934   6.453   9.549  -9.370
  310    HB2  MET1934           HB2      MET1934   4.416  10.124 -11.512
  311    HB3  MET1934           HB3      MET1934   5.167   8.537 -11.346
  312    HG2  MET1934           HG2      MET1934   3.642   9.974  -9.186
  313    HG3  MET1934           HG3      MET1934   3.009   8.671 -10.195
  314    HE1  MET1934           HE1      MET1934   3.947   9.265  -6.778
  315    HE2  MET1934           HE2      MET1934   2.619   8.214  -7.283
  316    HE3  MET1934           HE3      MET1934   3.944   7.558  -6.320
  317    H    ALA1935           H        ALA1935   6.719  11.878 -11.897
  318    HA   ALA1935           HA       ALA1935   8.399  12.400 -13.316
  319    HB1  ALA1935           HB1      ALA1935  10.655  11.982 -12.533
  320    HB2  ALA1935           HB2      ALA1935   9.620  12.433 -11.172
  321    HB3  ALA1935           HB3      ALA1935  10.067  10.743 -11.424
  322    H    MET   1           H1       MET   1   3.083  -4.849 -20.820
  323    HA   MET   1           HA       MET   1   0.472  -4.404 -19.496
  324    HB2  MET   1           HB2      MET   1   3.017  -5.717 -18.513
  325    HB3  MET   1           HB3      MET   1   1.654  -5.298 -17.486
  326    HG2  MET   1           HG2      MET   1   0.233  -6.832 -18.745
  327    HG3  MET   1           HG3      MET   1   1.603  -7.253 -19.773
  328    HE1  MET   1           HE1      MET   1  -0.131  -9.442 -18.264
  329    HE2  MET   1           HE2      MET   1   1.263  -9.826 -19.273
  330    HE3  MET   1           HE3      MET   1   1.138 -10.502 -17.648
  331    H    ALA   2           H        ALA   2   0.883  -3.157 -17.404
  332    HA   ALA   2           HA       ALA   2   2.668  -0.906 -17.929
  333    HB1  ALA   2           HB1      ALA   2   0.745  -1.410 -15.654
  334    HB2  ALA   2           HB2      ALA   2   1.633   0.088 -15.939
  335    HB3  ALA   2           HB3      ALA   2   0.412  -0.447 -17.094
  336    H    CYS   3           H        CYS   3   3.942  -0.152 -15.855
  337    HA   CYS   3           HA       CYS   3   5.542  -2.353 -14.932
  338    HB2  CYS   3           HB2      CYS   3   5.575   0.550 -14.065
  339    HB3  CYS   3           HB3      CYS   3   6.829  -0.647 -13.753
  340    HG   CYS   3           HG       CYS   3   7.568  -0.923 -16.427
  341    HA   PRO   4           HA       PRO   4   2.176  -3.338 -12.213
  342    HB2  PRO   4           HB2      PRO   4   4.346  -4.998 -11.005
  343    HB3  PRO   4           HB3      PRO   4   2.705  -5.470 -11.476
  344    HG2  PRO   4           HG2      PRO   4   4.721  -6.175 -13.010
  345    HG3  PRO   4           HG3      PRO   4   3.248  -5.518 -13.758
  346    HD2  PRO   4           HD2      PRO   4   5.873  -4.175 -13.244
  347    HD3  PRO   4           HD3      PRO   4   4.814  -4.070 -14.666
  348    H    LEU   5           H        LEU   5   5.305  -3.416 -10.494
  349    HA   LEU   5           HA       LEU   5   4.043  -2.593  -8.071
  350    HB2  LEU   5           HB2      LEU   5   6.365  -3.929  -8.717
  351    HB3  LEU   5           HB3      LEU   5   6.959  -2.378  -8.160
  352    HG   LEU   5           HG       LEU   5   6.892  -4.070  -6.364
  353   HD11  LEU   5          HD11      LEU   5   5.726  -2.725  -4.697
  354   HD12  LEU   5          HD12      LEU   5   6.710  -1.736  -5.775
  355   HD13  LEU   5          HD13      LEU   5   4.962  -1.796  -5.988
  356   HD21  LEU   5          HD21      LEU   5   3.915  -4.002  -6.813
  357   HD22  LEU   5          HD22      LEU   5   4.988  -5.371  -7.108
  358   HD23  LEU   5          HD23      LEU   5   4.732  -4.788  -5.462
  359    H    GLU   6           H        GLU   6   5.516  -0.972 -10.721
  360    HA   GLU   6           HA       GLU   6   6.148   1.451  -9.408
  361    HB2  GLU   6           HB2      GLU   6   7.066   1.017 -11.609
  362    HB3  GLU   6           HB3      GLU   6   5.450   0.910 -12.297
  363    HG2  GLU   6           HG2      GLU   6   5.132   3.317 -11.586
  364    HG3  GLU   6           HG3      GLU   6   6.862   3.349 -11.255
  365    H    LYS   7           H        LYS   7   3.375   0.443 -11.366
  366    HA   LYS   7           HA       LYS   7   1.938   2.835 -10.985
  367    HB2  LYS   7           HB2      LYS   7   1.262   0.135 -12.067
  368    HB3  LYS   7           HB3      LYS   7  -0.045   1.255 -11.697
  369    HG2  LYS   7           HG2      LYS   7   2.293   1.928 -13.466
  370    HG3  LYS   7           HG3      LYS   7   0.741   1.326 -14.056
  371    HD2  LYS   7           HD2      LYS   7  -0.409   3.239 -13.262
  372    HD3  LYS   7           HD3      LYS   7   0.977   3.770 -12.313
  373    HE2  LYS   7           HE2      LYS   7   0.904   3.617 -15.318
  374    HE3  LYS   7           HE3      LYS   7   0.627   5.080 -14.375
  375    HZ1  LYS   7           HZ1      LYS   7   2.863   4.893 -13.489
  376    HZ2  LYS   7           HZ2      LYS   7   2.907   4.950 -15.176
  377    HZ3  LYS   7           HZ3      LYS   7   3.133   3.476 -14.375
  378    H    ALA   8           H        ALA   8   2.201  -0.046  -9.065
  379    HA   ALA   8           HA       ALA   8  -0.084   0.028  -7.539
  380    HB1  ALA   8           HB1      ALA   8   1.647  -1.682  -7.295
  381    HB2  ALA   8           HB2      ALA   8   2.713  -0.499  -6.537
  382    HB3  ALA   8           HB3      ALA   8   1.217  -0.979  -5.736
  383    H    LEU   9           H        LEU   9   2.912   1.887  -6.867
  384    HA   LEU   9           HA       LEU   9   1.575   3.345  -4.761
  385    HB2  LEU   9           HB2      LEU   9   4.254   3.975  -6.011
  386    HB3  LEU   9           HB3      LEU   9   3.631   4.589  -4.495
  387    HG   LEU   9           HG       LEU   9   5.132   2.986  -3.797
  388   HD11  LEU   9          HD11      LEU   9   2.995   2.611  -2.733
  389   HD12  LEU   9          HD12      LEU   9   2.518   1.511  -4.025
  390   HD13  LEU   9          HD13      LEU   9   3.853   1.084  -2.953
  391   HD21  LEU   9          HD21      LEU   9   5.428   0.797  -4.798
  392   HD22  LEU   9          HD22      LEU   9   4.147   1.140  -5.959
  393   HD23  LEU   9          HD23      LEU   9   5.646   2.073  -6.000
  394    H    ASP  10           H        ASP  10   2.450   3.880  -8.104
  395    HA   ASP  10           HA       ASP  10   2.019   6.631  -8.306
  396    HB2  ASP  10           HB2      ASP  10   3.031   5.474 -10.141
  397    HB3  ASP  10           HB3      ASP  10   1.646   4.401 -10.311
  398    H    VAL  11           H        VAL  11  -0.250   3.966  -8.885
  399    HA   VAL  11           HA       VAL  11  -2.421   5.694  -9.504
  400    HB   VAL  11           HB       VAL  11  -3.783   3.741  -9.620
  401   HG11  VAL  11          HG11      VAL  11  -1.001   3.054 -10.553
  402   HG12  VAL  11          HG12      VAL  11  -2.508   2.379 -11.173
  403   HG13  VAL  11          HG13      VAL  11  -2.142   4.090 -11.412
  404   HG21  VAL  11          HG21      VAL  11  -3.148   2.678  -7.525
  405   HG22  VAL  11          HG22      VAL  11  -3.024   1.536  -8.864
  406   HG23  VAL  11          HG23      VAL  11  -1.567   2.274  -8.194
  407    H    MET  12           H        MET  12  -1.130   4.403  -6.570
  408    HA   MET  12           HA       MET  12  -3.313   4.539  -4.865
  409    HB2  MET  12           HB2      MET  12  -0.375   4.883  -4.509
  410    HB3  MET  12           HB3      MET  12  -1.441   5.299  -3.173
  411    HG2  MET  12           HG2      MET  12  -2.293   3.099  -3.058
  412    HG3  MET  12           HG3      MET  12  -1.503   2.646  -4.568
  413    HE1  MET  12           HE1      MET  12  -0.837   0.521  -2.999
  414    HE2  MET  12           HE2      MET  12   0.258   0.655  -1.615
  415    HE3  MET  12           HE3      MET  12  -1.387   1.288  -1.501
  416    H    VAL  13           H        VAL  13  -1.024   7.107  -5.758
  417    HA   VAL  13           HA       VAL  13  -2.719   9.056  -4.413
  418    HB   VAL  13           HB       VAL  13  -0.968  10.711  -5.054
  419   HG11  VAL  13          HG11      VAL  13  -0.939   9.615  -2.876
  420   HG12  VAL  13          HG12      VAL  13   0.005   8.283  -3.548
  421   HG13  VAL  13          HG13      VAL  13   0.703   9.904  -3.459
  422   HG21  VAL  13          HG21      VAL  13  -0.104   9.615  -7.035
  423   HG22  VAL  13          HG22      VAL  13   1.183   9.884  -5.856
  424   HG23  VAL  13          HG23      VAL  13   0.490   8.273  -6.052
  425    H    SER  14           H        SER  14  -2.220   7.815  -7.567
  426    HA   SER  14           HA       SER  14  -3.125  10.129  -9.002
  427    HB2  SER  14           HB2      SER  14  -1.645   8.408 -10.007
  428    HB3  SER  14           HB3      SER  14  -2.965   7.244  -9.912
  429    HG   SER  14           HG       SER  14  -2.745   8.260 -11.981
  430    H    THR  15           H        THR  15  -4.600   6.899  -8.578
  431    HA   THR  15           HA       THR  15  -7.202   7.676  -9.343
  432    HB   THR  15           HB       THR  15  -6.396   5.364  -7.552
  433    HG1  THR  15           HG1      THR  15  -6.920   4.881 -10.217
  434   HG21  THR  15          HG21      THR  15  -8.802   5.674  -9.357
  435   HG22  THR  15          HG22      THR  15  -8.829   5.842  -7.601
  436   HG23  THR  15          HG23      THR  15  -8.422   4.286  -8.332
  437    H    PHE  16           H        PHE  16  -5.418   7.865  -6.414
  438    HA   PHE  16           HA       PHE  16  -7.181   8.250  -4.383
  439    HB2  PHE  16           HB2      PHE  16  -4.661   8.418  -4.396
  440    HB3  PHE  16           HB3      PHE  16  -4.842  10.063  -4.974
  441    HD1  PHE  16           HD1      PHE  16  -6.714   8.217  -2.349
  442    HD2  PHE  16           HD2      PHE  16  -4.068  11.404  -3.310
  443    HE1  PHE  16           HE1      PHE  16  -6.793   8.984  -0.015
  444    HE2  PHE  16           HE2      PHE  16  -4.150  12.180  -0.981
  445    HZ   PHE  16           HZ       PHE  16  -5.511  10.966   0.667
  446    H    HIS  17           H        HIS  17  -5.872  11.046  -6.181
  447    HA   HIS  17           HA       HIS  17  -7.936  12.770  -5.275
  448    HB2  HIS  17           HB2      HIS  17  -6.954  14.462  -6.743
  449    HB3  HIS  17           HB3      HIS  17  -5.709  13.634  -5.823
  450    HD1  HIS  17           HD1      HIS  17  -7.181  13.681  -9.334
  451    HD2  HIS  17           HD2      HIS  17  -3.672  12.622  -7.344
  452    HE1  HIS  17           HE1      HIS  17  -5.527  13.099 -11.130
  453    HE2  HIS  17           HE2      HIS  17  -3.358  12.710  -9.911
  454    H    LYS  18           H        LYS  18  -7.864  10.485  -7.702
  455    HA   LYS  18           HA       LYS  18  -9.466  11.681  -9.698
  456    HB2  LYS  18           HB2      LYS  18  -8.089   9.729 -10.139
  457    HB3  LYS  18           HB3      LYS  18  -8.988   8.789  -8.963
  458    HG2  LYS  18           HG2      LYS  18 -10.991   8.979 -10.396
  459    HG3  LYS  18           HG3      LYS  18 -10.010   9.830 -11.597
  460    HD2  LYS  18           HD2      LYS  18  -8.561   7.903 -11.830
  461    HD3  LYS  18           HD3      LYS  18  -9.431   7.058 -10.550
  462    HE2  LYS  18           HE2      LYS  18 -11.471   7.133 -11.951
  463    HE3  LYS  18           HE3      LYS  18 -10.522   7.871 -13.241
  464    HZ1  LYS  18           HZ1      LYS  18 -10.105   5.163 -12.071
  465    HZ2  LYS  18           HZ2      LYS  18  -9.102   5.883 -13.238
  466    HZ3  LYS  18           HZ3      LYS  18 -10.714   5.520 -13.616
  467    H    TYR  19           H        TYR  19 -10.226  10.092  -6.657
  468    HA   TYR  19           HA       TYR  19 -13.078  10.460  -7.295
  469    HB2  TYR  19           HB2      TYR  19 -11.789   8.203  -5.771
  470    HB3  TYR  19           HB3      TYR  19 -13.523   8.523  -5.733
  471    HD1  TYR  19           HD2      TYR  19 -14.814   8.452  -7.895
  472    HD2  TYR  19           HD1      TYR  19 -10.816   7.039  -7.579
  473    HE1  TYR  19           HE2      TYR  19 -15.101   7.209  -9.995
  474    HE2  TYR  19           HE1      TYR  19 -11.082   5.797  -9.683
  475    HH   TYR  19           HH       TYR  19 -13.733   6.308 -11.782
  476    H    SER  20           H        SER  20 -10.562  11.058  -4.991
  477    HA   SER  20           HA       SER  20 -12.354  11.671  -2.825
  478    HB2  SER  20           HB2      SER  20 -10.290  12.579  -1.731
  479    HB3  SER  20           HB3      SER  20 -10.110  10.920  -2.323
  480    HG   SER  20           HG       SER  20  -8.340  12.327  -2.902
  481    H    GLY  21           H        GLY  21 -10.702  13.462  -5.361
  482    HA2  GLY  21           HA2      GLY  21 -11.509  16.044  -4.349
  483    HA3  GLY  21           HA3      GLY  21 -10.722  15.723  -5.889
  484    H    LYS  22           H        LYS  22 -13.662  14.265  -4.674
  485    HA   LYS  22           HA       LYS  22 -15.087  15.312  -7.024
  486    HB2  LYS  22           HB2      LYS  22 -14.834  12.891  -6.998
  487    HB3  LYS  22           HB3      LYS  22 -15.507  12.813  -5.377
  488    HG2  LYS  22           HG2      LYS  22 -17.656  13.600  -6.243
  489    HG3  LYS  22           HG3      LYS  22 -16.971  13.647  -7.872
  490    HD2  LYS  22           HD2      LYS  22 -17.084  11.178  -6.146
  491    HD3  LYS  22           HD3      LYS  22 -18.283  11.582  -7.376
  492    HE2  LYS  22           HE2      LYS  22 -15.334  11.216  -7.893
  493    HE3  LYS  22           HE3      LYS  22 -16.560   9.975  -8.152
  494    HZ1  LYS  22           HZ1      LYS  22 -16.095  11.054 -10.212
  495    HZ2  LYS  22           HZ2      LYS  22 -16.356  12.590  -9.544
  496    HZ3  LYS  22           HZ3      LYS  22 -17.653  11.512  -9.723
  497    H    GLU  23           H        GLU  23 -15.796  14.143  -3.740
  498    HA   GLU  23           HA       GLU  23 -17.760  16.322  -3.460
  499    HB2  GLU  23           HB2      GLU  23 -17.446  13.752  -1.897
  500    HB3  GLU  23           HB3      GLU  23 -18.653  14.986  -1.568
  501    HG2  GLU  23           HG2      GLU  23 -18.439  13.479  -4.162
  502    HG3  GLU  23           HG3      GLU  23 -19.500  13.026  -2.830
  503    H    GLY  24           H        GLY  24 -14.999  14.749  -1.873
  504    HA2  GLY  24           HA2      GLY  24 -15.010  16.919   0.129
  505    HA3  GLY  24           HA3      GLY  24 -14.352  15.315   0.401
  506    H    ASP  25           H        ASP  25 -12.270  15.676   0.823
  507    HA   ASP  25           HA       ASP  25 -10.764  17.626  -0.746
  508    HB2  ASP  25           HB2      ASP  25  -9.974  16.000   1.683
  509    HB3  ASP  25           HB3      ASP  25  -8.941  17.182   0.884
  510    H    LYS  26           H        LYS  26  -8.815  17.087  -1.815
  511    HA   LYS  26           HA       LYS  26  -9.002  14.670  -3.287
  512    HB2  LYS  26           HB2      LYS  26  -7.061  15.392  -4.457
  513    HB3  LYS  26           HB3      LYS  26  -7.997  16.839  -4.100
  514    HG2  LYS  26           HG2      LYS  26  -6.506  17.556  -2.472
  515    HG3  LYS  26           HG3      LYS  26  -5.800  15.952  -2.277
  516    HD2  LYS  26           HD2      LYS  26  -4.989  16.188  -4.672
  517    HD3  LYS  26           HD3      LYS  26  -5.423  17.893  -4.537
  518    HE2  LYS  26           HE2      LYS  26  -3.536  16.436  -2.693
  519    HE3  LYS  26           HE3      LYS  26  -3.038  17.444  -4.049
  520    HZ1  LYS  26           HZ1      LYS  26  -3.795  19.362  -3.002
  521    HZ2  LYS  26           HZ2      LYS  26  -3.071  18.482  -1.739
  522    HZ3  LYS  26           HZ3      LYS  26  -4.755  18.513  -1.894
  523    H    PHE  27           H        PHE  27  -7.535  15.391  -0.281
  524    HA   PHE  27           HA       PHE  27  -5.743  13.089  -0.545
  525    HB2  PHE  27           HB2      PHE  27  -4.647  14.018   1.538
  526    HB3  PHE  27           HB3      PHE  27  -4.469  14.974   0.073
  527    HD1  PHE  27           HD1      PHE  27  -6.912  14.680   2.899
  528    HD2  PHE  27           HD2      PHE  27  -4.631  17.215   0.326
  529    HE1  PHE  27           HE1      PHE  27  -7.762  16.666   4.095
  530    HE2  PHE  27           HE2      PHE  27  -5.495  19.197   1.517
  531    HZ   PHE  27           HZ       PHE  27  -7.059  18.922   3.400
  532    H    LYS  28           H        LYS  28  -8.775  13.480   0.391
  533    HA   LYS  28           HA       LYS  28  -8.559  11.135   2.006
  534    HB2  LYS  28           HB2      LYS  28  -9.584  11.935   4.004
  535    HB3  LYS  28           HB3      LYS  28  -8.186  12.935   3.657
  536    HG2  LYS  28           HG2      LYS  28  -9.558  14.635   4.090
  537    HG3  LYS  28           HG3      LYS  28 -10.187  14.347   2.464
  538    HD2  LYS  28           HD2      LYS  28 -12.126  13.548   3.236
  539    HD3  LYS  28           HD3      LYS  28 -11.328  12.587   4.471
  540    HE2  LYS  28           HE2      LYS  28 -12.632  14.142   5.659
  541    HE3  LYS  28           HE3      LYS  28 -10.988  14.771   5.727
  542    HZ1  LYS  28           HZ1      LYS  28 -12.573  16.513   5.233
  543    HZ2  LYS  28           HZ2      LYS  28 -13.110  15.675   3.861
  544    HZ3  LYS  28           HZ3      LYS  28 -11.532  16.281   3.918
  545    H    LEU  29           H        LEU  29 -10.208   9.868   1.828
  546    HA   LEU  29           HA       LEU  29 -12.429  10.776   0.119
  547    HB2  LEU  29           HB2      LEU  29 -11.260   8.022   0.523
  548    HB3  LEU  29           HB3      LEU  29 -12.721   8.331  -0.391
  549    HG   LEU  29           HG       LEU  29 -11.215   9.875  -1.834
  550   HD11  LEU  29          HD11      LEU  29  -9.134   8.117  -0.543
  551   HD12  LEU  29          HD12      LEU  29  -8.879   9.153  -1.946
  552   HD13  LEU  29          HD13      LEU  29  -9.269   9.868  -0.381
  553   HD21  LEU  29          HD21      LEU  29 -10.599   7.987  -3.252
  554   HD22  LEU  29          HD22      LEU  29 -10.914   6.878  -1.917
  555   HD23  LEU  29          HD23      LEU  29 -12.236   7.809  -2.620
  556    H    ASN  30           H        ASN  30 -14.390  10.930   1.024
  557    HA   ASN  30           HA       ASN  30 -14.974   9.505   3.486
  558    HB2  ASN  30           HB2      ASN  30 -16.971  10.756   3.627
  559    HB3  ASN  30           HB3      ASN  30 -15.804  11.884   2.952
  560   HD21  ASN  30          HD21      ASN  30 -16.015  12.530   0.805
  561   HD22  ASN  30          HD22      ASN  30 -17.462  12.259  -0.099
  562    H    LYS  31           H        LYS  31 -17.562   8.689   3.209
  563    HA   LYS  31           HA       LYS  31 -17.312   6.152   2.184
  564    HB2  LYS  31           HB2      LYS  31 -19.904   7.687   2.337
  565    HB3  LYS  31           HB3      LYS  31 -19.720   5.940   2.336
  566    HG2  LYS  31           HG2      LYS  31 -18.474   6.147   4.488
  567    HG3  LYS  31           HG3      LYS  31 -18.900   7.862   4.496
  568    HD2  LYS  31           HD2      LYS  31 -21.316   7.110   4.261
  569    HD3  LYS  31           HD3      LYS  31 -20.740   5.484   4.636
  570    HE2  LYS  31           HE2      LYS  31 -21.502   6.442   6.671
  571    HE3  LYS  31           HE3      LYS  31 -19.740   6.433   6.734
  572    HZ1  LYS  31           HZ1      LYS  31 -19.783   8.780   6.023
  573    HZ2  LYS  31           HZ2      LYS  31 -20.555   8.532   7.514
  574    HZ3  LYS  31           HZ3      LYS  31 -21.479   8.760   6.112
  575    H    SER  32           H        SER  32 -18.795   8.953   0.536
  576    HA   SER  32           HA       SER  32 -19.729   7.459  -1.668
  577    HB2  SER  32           HB2      SER  32 -20.020   9.702  -2.748
  578    HB3  SER  32           HB3      SER  32 -20.751   9.571  -1.150
  579    HG   SER  32           HG       SER  32 -18.350  10.896  -1.899
  580    H    GLU  33           H        GLU  33 -16.649   8.911  -0.983
  581    HA   GLU  33           HA       GLU  33 -15.797   9.015  -3.738
  582    HB2  GLU  33           HB2      GLU  33 -13.932   9.084  -1.375
  583    HB3  GLU  33           HB3      GLU  33 -13.769   9.893  -2.928
  584    HG2  GLU  33           HG2      GLU  33 -15.684  10.623  -0.725
  585    HG3  GLU  33           HG3      GLU  33 -14.210  11.479  -1.159
  586    H    LEU  34           H        LEU  34 -15.115   7.058  -0.880
  587    HA   LEU  34           HA       LEU  34 -13.305   5.284  -2.100
  588    HB2  LEU  34           HB2      LEU  34 -14.954   5.257   0.377
  589    HB3  LEU  34           HB3      LEU  34 -14.234   3.750  -0.159
  590    HG   LEU  34           HG       LEU  34 -12.656   6.270   0.331
  591   HD11  LEU  34          HD11      LEU  34 -11.923   5.156   2.400
  592   HD12  LEU  34          HD12      LEU  34 -13.644   5.548   2.407
  593   HD13  LEU  34          HD13      LEU  34 -13.117   3.888   2.116
  594   HD21  LEU  34          HD21      LEU  34 -11.607   4.748  -1.219
  595   HD22  LEU  34          HD22      LEU  34 -10.758   4.694   0.327
  596   HD23  LEU  34          HD23      LEU  34 -11.871   3.397  -0.116
  597    H    LYS  35           H        LYS  35 -16.826   5.157  -1.706
  598    HA   LYS  35           HA       LYS  35 -17.163   2.543  -2.614
  599    HB2  LYS  35           HB2      LYS  35 -18.929   4.068  -1.581
  600    HB3  LYS  35           HB3      LYS  35 -19.125   4.758  -3.187
  601    HG2  LYS  35           HG2      LYS  35 -19.955   2.766  -4.075
  602    HG3  LYS  35           HG3      LYS  35 -19.350   1.807  -2.725
  603    HD2  LYS  35           HD2      LYS  35 -21.709   1.993  -2.470
  604    HD3  LYS  35           HD3      LYS  35 -20.967   3.030  -1.249
  605    HE2  LYS  35           HE2      LYS  35 -21.319   4.966  -2.732
  606    HE3  LYS  35           HE3      LYS  35 -22.115   3.894  -3.887
  607    HZ1  LYS  35           HZ1      LYS  35 -23.037   4.300  -1.091
  608    HZ2  LYS  35           HZ2      LYS  35 -23.845   3.458  -2.327
  609    HZ3  LYS  35           HZ3      LYS  35 -23.658   5.142  -2.429
  610    H    GLU  36           H        GLU  36 -17.295   5.579  -4.494
  611    HA   GLU  36           HA       GLU  36 -17.563   4.349  -6.993
  612    HB2  GLU  36           HB2      GLU  36 -16.859   7.022  -6.031
  613    HB3  GLU  36           HB3      GLU  36 -16.127   6.606  -7.576
  614    HG2  GLU  36           HG2      GLU  36 -18.297   6.060  -8.479
  615    HG3  GLU  36           HG3      GLU  36 -19.061   6.434  -6.938
  616    H    LEU  37           H        LEU  37 -14.663   5.258  -5.187
  617    HA   LEU  37           HA       LEU  37 -12.659   4.628  -6.961
  618    HB2  LEU  37           HB2      LEU  37 -12.424   5.493  -4.607
  619    HB3  LEU  37           HB3      LEU  37 -12.681   3.851  -4.048
  620    HG   LEU  37           HG       LEU  37 -10.636   3.438  -5.752
  621   HD11  LEU  37          HD11      LEU  37  -9.004   5.220  -5.481
  622   HD12  LEU  37          HD12      LEU  37 -10.446   5.806  -6.309
  623   HD13  LEU  37          HD13      LEU  37 -10.190   6.188  -4.606
  624   HD21  LEU  37          HD21      LEU  37  -9.204   3.395  -3.783
  625   HD22  LEU  37          HD22      LEU  37 -10.395   4.335  -2.884
  626   HD23  LEU  37          HD23      LEU  37 -10.788   2.702  -3.425
  627    H    LEU  38           H        LEU  38 -14.116   2.393  -4.607
  628    HA   LEU  38           HA       LEU  38 -12.741   0.142  -5.639
  629    HB2  LEU  38           HB2      LEU  38 -14.995   0.468  -3.694
  630    HB3  LEU  38           HB3      LEU  38 -14.468  -1.123  -4.208
  631    HG   LEU  38           HG       LEU  38 -12.108   0.126  -3.465
  632   HD11  LEU  38          HD11      LEU  38 -12.524   0.992  -1.224
  633   HD12  LEU  38          HD12      LEU  38 -13.335   1.965  -2.452
  634   HD13  LEU  38          HD13      LEU  38 -14.261   0.823  -1.479
  635   HD21  LEU  38          HD21      LEU  38 -12.173  -1.415  -1.570
  636   HD22  LEU  38          HD22      LEU  38 -13.894  -1.686  -1.850
  637   HD23  LEU  38          HD23      LEU  38 -12.713  -2.192  -3.059
  638    H    THR  39           H        THR  39 -15.987   1.417  -6.193
  639    HA   THR  39           HA       THR  39 -17.026  -0.855  -7.498
  640    HB   THR  39           HB       THR  39 -18.657   0.674  -8.592
  641    HG1  THR  39           HG1      THR  39 -16.805   2.549  -7.767
  642   HG21  THR  39          HG21      THR  39 -19.101  -0.203  -6.351
  643   HG22  THR  39          HG22      THR  39 -19.756   1.423  -6.546
  644   HG23  THR  39          HG23      THR  39 -18.260   1.177  -5.644
  645    H    ARG  40           H        ARG  40 -14.861   1.609  -8.583
  646    HA   ARG  40           HA       ARG  40 -15.336   1.022 -11.386
  647    HB2  ARG  40           HB2      ARG  40 -13.573   3.023  -9.985
  648    HB3  ARG  40           HB3      ARG  40 -13.624   2.833 -11.732
  649    HG2  ARG  40           HG2      ARG  40 -15.962   3.573  -9.980
  650    HG3  ARG  40           HG3      ARG  40 -15.018   4.689 -10.969
  651    HD2  ARG  40           HD2      ARG  40 -16.756   2.418 -11.912
  652    HD3  ARG  40           HD3      ARG  40 -17.017   4.145 -12.162
  653    HE   ARG  40           HE       ARG  40 -14.525   3.294 -13.243
  654   HH11  ARG  40          HH12      ARG  40 -17.963   3.446 -13.873
  655   HH12  ARG  40          HH11      ARG  40 -17.780   3.234 -15.588
  656   HH21  ARG  40          HH22      ARG  40 -14.274   3.051 -15.482
  657   HH22  ARG  40          HH21      ARG  40 -15.679   3.039 -16.515
  658    H    GLU  41           H        GLU  41 -12.455   1.118  -9.257
  659    HA   GLU  41           HA       GLU  41 -11.105  -0.552 -11.244
  660    HB2  GLU  41           HB2      GLU  41 -10.204   1.493  -9.330
  661    HB3  GLU  41           HB3      GLU  41  -9.127   0.118  -9.527
  662    HG2  GLU  41           HG2      GLU  41  -8.340   1.627 -11.072
  663    HG3  GLU  41           HG3      GLU  41  -9.352   0.563 -12.043
  664    H    LEU  42           H        LEU  42 -12.461  -0.840  -8.091
  665    HA   LEU  42           HA       LEU  42 -10.893  -3.317  -7.677
  666    HB2  LEU  42           HB2      LEU  42 -12.096  -1.604  -5.499
  667    HB3  LEU  42           HB3      LEU  42 -11.098  -3.026  -5.277
  668    HG   LEU  42           HG       LEU  42  -9.289  -1.620  -6.524
  669   HD11  LEU  42          HD11      LEU  42 -10.792   0.242  -7.111
  670   HD12  LEU  42          HD12      LEU  42 -11.056   0.563  -5.398
  671   HD13  LEU  42          HD13      LEU  42  -9.441   0.771  -6.097
  672   HD21  LEU  42          HD21      LEU  42  -9.173  -2.437  -4.223
  673   HD22  LEU  42          HD22      LEU  42  -8.515  -0.807  -4.363
  674   HD23  LEU  42          HD23      LEU  42 -10.123  -1.053  -3.684
  675    HA   PRO  43           HA       PRO  43 -15.646  -3.881  -7.488
  676    HB2  PRO  43           HB2      PRO  43 -15.703  -5.295 -10.010
  677    HB3  PRO  43           HB3      PRO  43 -16.549  -3.815  -9.554
  678    HG2  PRO  43           HG2      PRO  43 -14.527  -3.901 -11.387
  679    HG3  PRO  43           HG3      PRO  43 -14.924  -2.468 -10.423
  680    HD2  PRO  43           HD2      PRO  43 -12.741  -4.474 -10.030
  681    HD3  PRO  43           HD3      PRO  43 -12.709  -2.712  -9.809
  682    H    SER  44           H        SER  44 -13.090  -6.000  -8.560
  683    HA   SER  44           HA       SER  44 -14.378  -8.456  -7.975
  684    HB2  SER  44           HB2      SER  44 -11.918  -9.266  -7.903
  685    HB3  SER  44           HB3      SER  44 -12.523  -8.599  -9.421
  686    HG   SER  44           HG       SER  44 -11.069  -7.106  -9.282
  687    H    PHE  45           H        PHE  45 -12.950  -6.000  -6.102
  688    HA   PHE  45           HA       PHE  45 -12.664  -7.686  -3.736
  689    HB2  PHE  45           HB2      PHE  45 -12.016  -4.754  -4.120
  690    HB3  PHE  45           HB3      PHE  45 -11.612  -5.730  -2.710
  691    HD1  PHE  45           HD2      PHE  45 -10.102  -7.776  -3.114
  692    HD2  PHE  45           HD1      PHE  45 -10.516  -4.559  -5.868
  693    HE1  PHE  45           HE2      PHE  45  -7.964  -8.400  -4.161
  694    HE2  PHE  45           HE1      PHE  45  -8.382  -5.178  -6.921
  695    HZ   PHE  45           HZ       PHE  45  -7.100  -7.101  -6.067
  696    H    LEU  46           H        LEU  46 -15.235  -6.559  -5.140
  697    HA   LEU  46           HA       LEU  46 -16.401  -5.479  -2.661
  698    HB2  LEU  46           HB2      LEU  46 -17.174  -4.869  -5.506
  699    HB3  LEU  46           HB3      LEU  46 -18.058  -4.316  -4.083
  700    HG   LEU  46           HG       LEU  46 -15.237  -3.567  -4.855
  701   HD11  LEU  46          HD11      LEU  46 -16.186  -1.328  -5.062
  702   HD12  LEU  46          HD12      LEU  46 -16.968  -2.465  -6.161
  703   HD13  LEU  46          HD13      LEU  46 -17.784  -1.971  -4.678
  704   HD21  LEU  46          HD21      LEU  46 -15.304  -2.111  -2.884
  705   HD22  LEU  46          HD22      LEU  46 -16.869  -2.797  -2.440
  706   HD23  LEU  46          HD23      LEU  46 -15.431  -3.817  -2.442
  707    H    GLY  47           H        GLY  47 -16.629  -7.918  -5.071
  708    HA2  GLY  47           HA2      GLY  47 -18.005  -9.761  -5.198
  709    HA3  GLY  47           HA3      GLY  47 -18.647  -9.308  -3.624
  710    H    LYS  48           H        LYS  48 -18.670  -7.160  -6.350
  711    HA   LYS  48           HA       LYS  48 -20.248  -6.361  -7.748
  712    HB2  LYS  48           HB2      LYS  48 -20.842  -8.646  -8.289
  713    HB3  LYS  48           HB3      LYS  48 -21.850  -8.759  -6.856
  714    HG2  LYS  48           HG2      LYS  48 -23.209  -8.476  -8.829
  715    HG3  LYS  48           HG3      LYS  48 -23.352  -7.069  -7.780
  716    HD2  LYS  48           HD2      LYS  48 -23.193  -6.261 -10.005
  717    HD3  LYS  48           HD3      LYS  48 -21.645  -5.934  -9.232
  718    HE2  LYS  48           HE2      LYS  48 -22.090  -8.405 -10.879
  719    HE3  LYS  48           HE3      LYS  48 -21.642  -6.874 -11.625
  720    HZ1  LYS  48           HZ1      LYS  48 -19.699  -6.873 -10.038
  721    HZ2  LYS  48           HZ2      LYS  48 -19.651  -8.026 -11.276
  722    HZ3  LYS  48           HZ3      LYS  48 -20.071  -8.495  -9.703
  723    H    ARG  49           H        ARG  49 -21.838  -7.504  -4.762
  724    HA   ARG  49           HA       ARG  49 -23.596  -5.177  -4.895
  725    HB2  ARG  49           HB2      ARG  49 -24.857  -6.281  -3.076
  726    HB3  ARG  49           HB3      ARG  49 -24.706  -7.272  -4.519
  727    HG2  ARG  49           HG2      ARG  49 -22.879  -8.524  -3.437
  728    HG3  ARG  49           HG3      ARG  49 -23.120  -7.565  -1.975
  729    HD2  ARG  49           HD2      ARG  49 -24.266  -9.681  -1.769
  730    HD3  ARG  49           HD3      ARG  49 -25.440  -8.367  -1.862
  731    HE   ARG  49           HE       ARG  49 -24.749 -10.124  -4.136
  732   HH11  ARG  49          HH12      ARG  49 -27.060  -8.215  -2.320
  733   HH12  ARG  49          HH11      ARG  49 -28.394  -8.601  -3.365
  734   HH21  ARG  49          HH22      ARG  49 -26.492 -10.627  -5.518
  735   HH22  ARG  49          HH21      ARG  49 -28.070  -9.967  -5.188
  736    H    THR  50           H        THR  50 -21.949  -3.647  -4.388
  737    HA   THR  50           HA       THR  50 -21.339  -3.612  -1.522
  738    HB   THR  50           HB       THR  50 -19.712  -1.689  -2.612
  739    HG1  THR  50           HG1      THR  50 -19.798  -3.982  -4.322
  740   HG21  THR  50          HG21      THR  50 -19.160  -4.610  -2.044
  741   HG22  THR  50          HG22      THR  50 -19.166  -3.303  -0.860
  742   HG23  THR  50          HG23      THR  50 -17.945  -3.335  -2.132
  743    H    ASP  51           H        ASP  51 -22.906  -2.586  -0.630
  744    HA   ASP  51           HA       ASP  51 -23.465   0.161  -1.532
  745    HB2  ASP  51           HB2      ASP  51 -25.151  -1.721   0.133
  746    HB3  ASP  51           HB3      ASP  51 -25.527  -0.017  -0.098
  747    H    GLU  52           H        GLU  52 -24.599   0.978   0.928
  748    HA   GLU  52           HA       GLU  52 -22.296   1.816   2.314
  749    HB2  GLU  52           HB2      GLU  52 -25.140   1.796   3.336
  750    HB3  GLU  52           HB3      GLU  52 -23.829   2.833   3.882
  751    HG2  GLU  52           HG2      GLU  52 -25.037   2.868   1.126
  752    HG3  GLU  52           HG3      GLU  52 -25.425   3.996   2.424
  753    H    ALA  53           H        ALA  53 -24.221  -1.023   2.536
  754    HA   ALA  53           HA       ALA  53 -23.790  -1.756   5.212
  755    HB1  ALA  53           HB1      ALA  53 -24.413  -4.000   4.533
  756    HB2  ALA  53           HB2      ALA  53 -25.474  -2.810   3.776
  757    HB3  ALA  53           HB3      ALA  53 -24.188  -3.569   2.837
  758    H    ALA  54           H        ALA  54 -22.177  -3.208   2.349
  759    HA   ALA  54           HA       ALA  54 -20.159  -4.426   3.913
  760    HB1  ALA  54           HB1      ALA  54 -20.168  -3.812   0.952
  761    HB2  ALA  54           HB2      ALA  54 -18.986  -4.843   1.772
  762    HB3  ALA  54           HB3      ALA  54 -20.692  -5.314   1.715
  763    H    PHE  55           H        PHE  55 -20.415  -1.297   2.367
  764    HA   PHE  55           HA       PHE  55 -17.643  -0.702   2.525
  765    HB2  PHE  55           HB2      PHE  55 -20.089   0.788   1.808
  766    HB3  PHE  55           HB3      PHE  55 -18.726   1.751   2.369
  767    HD1  PHE  55           HD2      PHE  55 -16.613   1.733   1.165
  768    HD2  PHE  55           HD1      PHE  55 -20.011  -0.371  -0.285
  769    HE1  PHE  55           HE2      PHE  55 -15.536   1.520  -1.033
  770    HE2  PHE  55           HE1      PHE  55 -18.938  -0.591  -2.487
  771    HZ   PHE  55           HZ       PHE  55 -16.699   0.355  -2.862
  772    H    GLN  56           H        GLN  56 -20.121  -0.699   4.881
  773    HA   GLN  56           HA       GLN  56 -19.169   1.321   6.584
  774    HB2  GLN  56           HB2      GLN  56 -21.375   0.229   6.835
  775    HB3  GLN  56           HB3      GLN  56 -20.567  -1.240   7.370
  776    HG2  GLN  56           HG2      GLN  56 -19.613   0.018   9.266
  777    HG3  GLN  56           HG3      GLN  56 -20.524   1.434   8.749
  778   HE21  GLN  56          HE21      GLN  56 -22.831  -0.195   7.946
  779   HE22  GLN  56          HE22      GLN  56 -23.609  -0.651   9.421
  780    H    LYS  57           H        LYS  57 -18.319  -2.136   6.374
  781    HA   LYS  57           HA       LYS  57 -16.616  -2.038   8.661
  782    HB2  LYS  57           HB2      LYS  57 -17.462  -4.057   6.767
  783    HB3  LYS  57           HB3      LYS  57 -15.738  -4.167   7.079
  784    HG2  LYS  57           HG2      LYS  57 -17.830  -4.125   9.240
  785    HG3  LYS  57           HG3      LYS  57 -17.178  -5.597   8.529
  786    HD2  LYS  57           HD2      LYS  57 -15.817  -5.415  10.361
  787    HD3  LYS  57           HD3      LYS  57 -14.864  -4.488   9.202
  788    HE2  LYS  57           HE2      LYS  57 -15.587  -2.430  10.117
  789    HE3  LYS  57           HE3      LYS  57 -16.870  -3.204  11.046
  790    HZ1  LYS  57           HZ1      LYS  57 -15.100  -4.341  12.333
  791    HZ2  LYS  57           HZ2      LYS  57 -15.093  -2.655  12.508
  792    HZ3  LYS  57           HZ3      LYS  57 -13.942  -3.408  11.514
  793    H    LEU  58           H        LEU  58 -16.156  -1.861   5.190
  794    HA   LEU  58           HA       LEU  58 -13.372  -1.793   5.087
  795    HB2  LEU  58           HB2      LEU  58 -14.690  -1.997   3.082
  796    HB3  LEU  58           HB3      LEU  58 -15.455  -0.444   3.369
  797    HG   LEU  58           HG       LEU  58 -13.419   0.728   2.889
  798   HD11  LEU  58          HD11      LEU  58 -11.380  -0.507   2.210
  799   HD12  LEU  58          HD12      LEU  58 -11.821  -0.739   3.903
  800   HD13  LEU  58          HD13      LEU  58 -12.158  -2.004   2.724
  801   HD21  LEU  58          HD21      LEU  58 -14.679   0.241   0.948
  802   HD22  LEU  58          HD22      LEU  58 -12.995  -0.088   0.545
  803   HD23  LEU  58          HD23      LEU  58 -14.098  -1.421   0.892
  804    H    MET  59           H        MET  59 -15.493   0.999   4.772
  805    HA   MET  59           HA       MET  59 -13.987   3.124   5.315
  806    HB2  MET  59           HB2      MET  59 -16.597   2.788   5.131
  807    HB3  MET  59           HB3      MET  59 -16.517   2.877   6.886
  808    HG2  MET  59           HG2      MET  59 -16.988   5.047   6.042
  809    HG3  MET  59           HG3      MET  59 -15.335   5.041   6.663
  810    HE1  MET  59           HE1      MET  59 -15.347   7.527   4.834
  811    HE2  MET  59           HE2      MET  59 -14.141   6.609   5.750
  812    HE3  MET  59           HE3      MET  59 -13.850   7.002   4.052
  813    H    SER  60           H        SER  60 -15.459   1.152   7.888
  814    HA   SER  60           HA       SER  60 -14.463   2.586  10.067
  815    HB2  SER  60           HB2      SER  60 -16.283   0.851  10.093
  816    HB3  SER  60           HB3      SER  60 -15.008  -0.368   9.968
  817    HG   SER  60           HG       SER  60 -14.153   0.438  11.954
  818    H    ASN  61           H        ASN  61 -13.212  -0.407   8.591
  819    HA   ASN  61           HA       ASN  61 -11.080  -0.722  10.428
  820    HB2  ASN  61           HB2      ASN  61 -11.470  -1.826   7.648
  821    HB3  ASN  61           HB3      ASN  61 -10.201  -2.337   8.753
  822   HD21  ASN  61          HD21      ASN  61 -12.272  -3.926   7.567
  823   HD22  ASN  61          HD22      ASN  61 -13.169  -4.608   8.878
  824    H    LEU  62           H        LEU  62 -11.373   0.755   7.270
  825    HA   LEU  62           HA       LEU  62  -8.720   1.645   6.943
  826    HB2  LEU  62           HB2      LEU  62 -11.339   2.318   5.862
  827    HB3  LEU  62           HB3      LEU  62 -10.284   3.715   5.979
  828    HG   LEU  62           HG       LEU  62  -8.611   2.609   4.628
  829   HD11  LEU  62          HD11      LEU  62  -9.048   0.343   5.417
  830   HD12  LEU  62          HD12      LEU  62 -10.554   0.327   4.498
  831   HD13  LEU  62          HD13      LEU  62  -9.008   0.444   3.657
  832   HD21  LEU  62          HD21      LEU  62  -9.856   2.450   2.519
  833   HD22  LEU  62          HD22      LEU  62 -11.368   2.455   3.426
  834   HD23  LEU  62          HD23      LEU  62 -10.316   3.871   3.458
  835    H    ASP  63           H        ASP  63 -11.489   3.292   8.337
  836    HA   ASP  63           HA       ASP  63 -10.132   5.631   9.121
  837    HB2  ASP  63           HB2      ASP  63 -12.513   5.597   8.712
  838    HB3  ASP  63           HB3      ASP  63 -12.756   4.404   9.978
  839    H    SER  64           H        SER  64  -8.299   5.033  10.287
  840    HA   SER  64           HA       SER  64  -8.633   3.449  12.704
  841    HB2  SER  64           HB2      SER  64  -6.263   3.250  12.729
  842    HB3  SER  64           HB3      SER  64  -6.712   3.171  11.028
  843    HG   SER  64           HG       SER  64  -6.159   5.372  10.836
  844    H    ASN  65           H        ASN  65  -8.191   6.737  11.692
  845    HA   ASN  65           HA       ASN  65  -7.566   7.694  14.350
  846    HB2  ASN  65           HB2      ASN  65  -7.612   9.919  13.372
  847    HB3  ASN  65           HB3      ASN  65  -6.686   8.838  12.338
  848   HD21  ASN  65          HD21      ASN  65  -9.501  10.799  12.632
  849   HD22  ASN  65          HD22      ASN  65 -10.028  10.655  10.994
  850    H    ARG  66           H        ARG  66 -10.327   6.792  12.681
  851    HA   ARG  66           HA       ARG  66 -12.473   6.588  13.331
  852    HB2  ARG  66           HB2      ARG  66 -11.647   7.798  15.973
  853    HB3  ARG  66           HB3      ARG  66 -13.096   6.856  15.650
  854    HG2  ARG  66           HG2      ARG  66 -10.248   5.882  15.644
  855    HG3  ARG  66           HG3      ARG  66 -11.525   5.460  16.784
  856    HD2  ARG  66           HD2      ARG  66 -11.550   4.813  13.836
  857    HD3  ARG  66           HD3      ARG  66 -11.079   3.691  15.109
  858    HE   ARG  66           HE       ARG  66 -13.513   4.321  15.926
  859   HH11  ARG  66          HH12      ARG  66 -12.383   3.588  12.688
  860   HH12  ARG  66          HH11      ARG  66 -13.900   2.918  12.181
  861   HH21  ARG  66          HH22      ARG  66 -15.493   3.420  15.270
  862   HH22  ARG  66          HH21      ARG  66 -15.674   2.823  13.644
  863    H    ASP  67           H        ASP  67 -12.419   8.378  11.660
  864    HA   ASP  67           HA       ASP  67 -14.012  10.622  12.729
  865    HB2  ASP  67           HB2      ASP  67 -11.840  11.520  12.152
  866    HB3  ASP  67           HB3      ASP  67 -11.882  10.727  10.581
  867    H    ASN  68           H        ASN  68 -13.834   7.969  10.714
  868    HA   ASN  68           HA       ASN  68 -15.221   7.036   9.180
  869    HB2  ASN  68           HB2      ASN  68 -17.006   9.379   9.846
  870    HB3  ASN  68           HB3      ASN  68 -17.468   8.100   8.747
  871   HD21  ASN  68          HD21      ASN  68 -17.268   9.112  11.914
  872   HD22  ASN  68          HD22      ASN  68 -17.788   7.657  12.693
  873    H    GLU  69           H        GLU  69 -13.313   9.384   8.622
  874    HA   GLU  69           HA       GLU  69 -13.919   9.361   5.765
  875    HB2  GLU  69           HB2      GLU  69 -13.126  11.799   7.359
  876    HB3  GLU  69           HB3      GLU  69 -12.956  11.704   5.612
  877    HG2  GLU  69           HG2      GLU  69 -15.405  11.251   5.476
  878    HG3  GLU  69           HG3      GLU  69 -15.502  11.574   7.207
  879    H    VAL  70           H        VAL  70 -12.246   8.688   4.604
  880    HA   VAL  70           HA       VAL  70  -9.933   7.824   6.119
  881    HB   VAL  70           HB       VAL  70 -10.884   7.193   3.332
  882   HG11  VAL  70          HG11      VAL  70  -8.521   6.038   4.791
  883   HG12  VAL  70          HG12      VAL  70  -9.156   5.484   3.242
  884   HG13  VAL  70          HG13      VAL  70  -8.453   7.095   3.382
  885   HG21  VAL  70          HG21      VAL  70 -10.772   5.545   5.846
  886   HG22  VAL  70          HG22      VAL  70 -12.223   6.257   5.138
  887   HG23  VAL  70          HG23      VAL  70 -11.347   4.995   4.273
  888    H    ASP  71           H        ASP  71  -8.435   9.370   6.359
  889    HA   ASP  71           HA       ASP  71  -7.591  11.145   4.293
  890    HB2  ASP  71           HB2      ASP  71  -7.210  11.496   6.769
  891    HB3  ASP  71           HB3      ASP  71  -5.994  10.221   6.701
  892    H    PHE  72           H        PHE  72  -5.173  11.003   3.528
  893    HA   PHE  72           HA       PHE  72  -4.992   8.775   1.871
  894    HB2  PHE  72           HB2      PHE  72  -3.794  10.912   1.462
  895    HB3  PHE  72           HB3      PHE  72  -2.660  10.484   2.747
  896    HD1  PHE  72           HD1      PHE  72  -4.212   8.295   0.208
  897    HD2  PHE  72           HD2      PHE  72  -0.637  10.122   1.609
  898    HE1  PHE  72           HE1      PHE  72  -2.921   6.950  -1.378
  899    HE2  PHE  72           HE2      PHE  72   0.654   8.801  -0.006
  900    HZ   PHE  72           HZ       PHE  72  -0.456   7.196  -1.450
  901    H    GLN  73           H        GLN  73  -3.635   9.320   5.057
  902    HA   GLN  73           HA       GLN  73  -1.843   7.154   5.062
  903    HB2  GLN  73           HB2      GLN  73  -3.274   8.461   7.379
  904    HB3  GLN  73           HB3      GLN  73  -1.927   7.338   7.531
  905    HG2  GLN  73           HG2      GLN  73  -0.666   8.992   6.011
  906    HG3  GLN  73           HG3      GLN  73  -1.943  10.125   6.450
  907   HE21  GLN  73          HE21      GLN  73   0.718   8.217   7.604
  908   HE22  GLN  73          HE22      GLN  73   0.916   9.042   9.110
  909    H    GLU  74           H        GLU  74  -5.286   7.348   5.793
  910    HA   GLU  74           HA       GLU  74  -5.423   4.634   6.753
  911    HB2  GLU  74           HB2      GLU  74  -7.805   6.163   5.767
  912    HB3  GLU  74           HB3      GLU  74  -7.695   5.027   7.103
  913    HG2  GLU  74           HG2      GLU  74  -6.546   7.806   7.087
  914    HG3  GLU  74           HG3      GLU  74  -8.068   7.338   7.836
  915    H    TYR  75           H        TYR  75  -5.566   6.319   3.779
  916    HA   TYR  75           HA       TYR  75  -6.912   4.291   2.261
  917    HB2  TYR  75           HB2      TYR  75  -7.023   6.678   1.672
  918    HB3  TYR  75           HB3      TYR  75  -5.290   6.689   1.378
  919    HD1  TYR  75           HD1      TYR  75  -4.364   5.655  -0.614
  920    HD2  TYR  75           HD2      TYR  75  -8.562   5.681   0.098
  921    HE1  TYR  75           HE1      TYR  75  -4.757   5.042  -2.964
  922    HE2  TYR  75           HE2      TYR  75  -8.958   5.067  -2.256
  923    HH   TYR  75           HH       TYR  75  -6.478   3.997  -4.325
  924    H    CYS  76           H        CYS  76  -3.588   5.146   2.971
  925    HA   CYS  76           HA       CYS  76  -2.344   3.425   1.101
  926    HB2  CYS  76           HB2      CYS  76  -1.365   4.444   3.759
  927    HB3  CYS  76           HB3      CYS  76  -0.361   3.653   2.552
  928    HG   CYS  76           HG       CYS  76  -1.825   6.018   0.959
  929    H    VAL  77           H        VAL  77  -3.175   2.981   4.512
  930    HA   VAL  77           HA       VAL  77  -2.305   0.278   4.537
  931    HB   VAL  77           HB       VAL  77  -3.449   0.109   6.696
  932   HG11  VAL  77          HG11      VAL  77  -1.797   2.578   6.210
  933   HG12  VAL  77          HG12      VAL  77  -2.184   1.956   7.815
  934   HG13  VAL  77          HG13      VAL  77  -1.237   0.976   6.698
  935   HG21  VAL  77          HG21      VAL  77  -5.418   1.475   6.221
  936   HG22  VAL  77          HG22      VAL  77  -4.580   2.059   7.656
  937   HG23  VAL  77          HG23      VAL  77  -4.407   2.916   6.123
  938    H    PHE  78           H        PHE  78  -5.272   1.884   3.685
  939    HA   PHE  78           HA       PHE  78  -7.050  -0.207   3.495
  940    HB2  PHE  78           HB2      PHE  78  -7.815   1.966   2.943
  941    HB3  PHE  78           HB3      PHE  78  -6.533   2.212   1.771
  942    HD1  PHE  78           HD2      PHE  78  -9.200  -0.391   2.203
  943    HD2  PHE  78           HD1      PHE  78  -7.326   2.488  -0.302
  944    HE1  PHE  78           HE2      PHE  78 -10.723  -0.997   0.371
  945    HE2  PHE  78           HE1      PHE  78  -8.838   1.895  -2.135
  946    HZ   PHE  78           HZ       PHE  78 -10.549   0.151  -1.804
  947    H    LEU  79           H        LEU  79  -4.914   0.929   0.890
  948    HA   LEU  79           HA       LEU  79  -5.493  -1.290  -0.753
  949    HB2  LEU  79           HB2      LEU  79  -3.415   0.868  -0.881
  950    HB3  LEU  79           HB3      LEU  79  -3.504  -0.411  -2.081
  951    HG   LEU  79           HG       LEU  79  -5.600   1.661  -1.466
  952   HD11  LEU  79          HD11      LEU  79  -3.832   2.446  -2.904
  953   HD12  LEU  79          HD12      LEU  79  -3.997   1.025  -3.935
  954   HD13  LEU  79          HD13      LEU  79  -5.303   2.207  -3.846
  955   HD21  LEU  79          HD21      LEU  79  -6.993   0.540  -3.109
  956   HD22  LEU  79          HD22      LEU  79  -5.772  -0.721  -3.302
  957   HD23  LEU  79          HD23      LEU  79  -6.622  -0.544  -1.767
  958    H    SER  80           H        SER  80  -2.618  -0.519   1.199
  959    HA   SER  80           HA       SER  80  -1.088  -2.650   0.223
  960    HB2  SER  80           HB2      SER  80  -0.953  -1.170   2.844
  961    HB3  SER  80           HB3      SER  80   0.276  -2.305   2.280
  962    HG   SER  80           HG       SER  80   1.063  -0.724   1.177
  963    H    CYS  81           H        CYS  81  -3.536  -2.520   2.698
  964    HA   CYS  81           HA       CYS  81  -2.932  -5.164   3.641
  965    HB2  CYS  81           HB2      CYS  81  -5.143  -3.220   4.213
  966    HB3  CYS  81           HB3      CYS  81  -5.123  -4.853   4.892
  967    HG   CYS  81           HG       CYS  81  -2.880  -2.341   5.442
  968    H    ILE  82           H        ILE  82  -4.729  -3.846   1.030
  969    HA   ILE  82           HA       ILE  82  -6.411  -6.184   0.762
  970    HB   ILE  82           HB       ILE  82  -5.882  -4.277  -1.511
  971   HG12  ILE  82          HG12      ILE  82  -7.901  -3.928   0.714
  972   HG13  ILE  82          HG13      ILE  82  -6.498  -2.900   0.430
  973   HG21  ILE  82          HG21      ILE  82  -8.352  -5.824  -0.716
  974   HG22  ILE  82          HG22      ILE  82  -8.080  -4.952  -2.226
  975   HG23  ILE  82          HG23      ILE  82  -7.143  -6.405  -1.870
  976   HD11  ILE  82          HD11      ILE  82  -8.531  -1.867  -0.393
  977   HD12  ILE  82          HD12      ILE  82  -7.424  -2.228  -1.718
  978   HD13  ILE  82          HD13      ILE  82  -8.827  -3.259  -1.438
  979    H    ALA  83           H        ALA  83  -3.215  -5.109  -0.346
  980    HA   ALA  83           HA       ALA  83  -2.562  -7.137  -2.099
  981    HB1  ALA  83           HB1      ALA  83  -0.960  -5.443  -1.353
  982    HB2  ALA  83           HB2      ALA  83  -0.910  -6.189   0.243
  983    HB3  ALA  83           HB3      ALA  83  -0.302  -7.067  -1.160
  984    H    MET  84           H        MET  84  -2.139  -7.293   1.405
  985    HA   MET  84           HA       MET  84  -1.669 -10.020   1.637
  986    HB2  MET  84           HB2      MET  84  -2.923  -8.086   3.576
  987    HB3  MET  84           HB3      MET  84  -2.526  -9.745   4.002
  988    HG2  MET  84           HG2      MET  84  -0.191  -9.338   3.575
  989    HG3  MET  84           HG3      MET  84  -0.551  -7.703   3.020
  990    HE1  MET  84           HE1      MET  84  -1.325  -5.737   4.573
  991    HE2  MET  84           HE2      MET  84  -2.736  -6.714   4.981
  992    HE3  MET  84           HE3      MET  84  -1.788  -5.950   6.262
  993    H    MET  85           H        MET  85  -4.721  -8.265   1.638
  994    HA   MET  85           HA       MET  85  -6.307 -10.513   2.362
  995    HB2  MET  85           HB2      MET  85  -6.991  -8.165   2.800
  996    HB3  MET  85           HB3      MET  85  -7.138  -7.912   1.062
  997    HG2  MET  85           HG2      MET  85  -8.668 -10.181   2.142
  998    HG3  MET  85           HG3      MET  85  -9.187  -8.573   2.655
  999    HE1  MET  85           HE1      MET  85 -10.490  -6.856  -0.404
 1000    HE2  MET  85           HE2      MET  85 -10.877  -7.203   1.288
 1001    HE3  MET  85           HE3      MET  85  -9.272  -6.589   0.852
 1002    H    CYS  86           H        CYS  86  -5.584  -8.950  -0.780
 1003    HA   CYS  86           HA       CYS  86  -7.271 -10.652  -2.293
 1004    HB2  CYS  86           HB2      CYS  86  -6.463  -8.523  -3.173
 1005    HB3  CYS  86           HB3      CYS  86  -4.803  -9.108  -3.122
 1006    HG   CYS  86           HG       CYS  86  -6.330 -11.295  -4.891
 1007    H    ASN  87           H        ASN  87  -4.148 -11.093  -0.911
 1008    HA   ASN  87           HA       ASN  87  -2.924 -12.869  -2.637
 1009    HB2  ASN  87           HB2      ASN  87  -1.795 -11.906  -0.697
 1010    HB3  ASN  87           HB3      ASN  87  -2.811 -12.855   0.384
 1011   HD21  ASN  87          HD21      ASN  87  -0.188 -12.936  -1.893
 1012   HD22  ASN  87          HD22      ASN  87   0.390 -14.518  -1.490
 1013    H    GLU  88           H        GLU  88  -5.377 -13.554  -0.181
 1014    HA   GLU  88           HA       GLU  88  -5.123 -16.344  -0.169
 1015    HB2  GLU  88           HB2      GLU  88  -6.424 -14.995   1.491
 1016    HB3  GLU  88           HB3      GLU  88  -7.664 -14.762   0.267
 1017    HG2  GLU  88           HG2      GLU  88  -8.044 -17.168   0.171
 1018    HG3  GLU  88           HG3      GLU  88  -6.783 -17.421   1.373
 1019    H    PHE  89           H        PHE  89  -7.234 -14.251  -2.122
 1020    HA   PHE  89           HA       PHE  89  -8.263 -16.488  -3.633
 1021    HB2  PHE  89           HB2      PHE  89  -9.628 -14.465  -3.133
 1022    HB3  PHE  89           HB3      PHE  89  -8.551 -13.515  -4.148
 1023    HD1  PHE  89           HD1      PHE  89 -10.748 -16.516  -4.277
 1024    HD2  PHE  89           HD2      PHE  89  -9.070 -13.216  -6.374
 1025    HE1  PHE  89           HE1      PHE  89 -12.128 -17.066  -6.238
 1026    HE2  PHE  89           HE2      PHE  89 -10.447 -13.760  -8.340
 1027    HZ   PHE  89           HZ       PHE  89 -11.977 -15.688  -8.273
 1028    H    PHE  90           H        PHE  90  -5.666 -14.203  -3.907
 1029    HA   PHE  90           HA       PHE  90  -5.073 -14.545  -6.647
 1030    HB2  PHE  90           HB2      PHE  90  -4.076 -12.758  -5.283
 1031    HB3  PHE  90           HB3      PHE  90  -3.204 -13.959  -4.336
 1032    HD1  PHE  90           HD2      PHE  90  -3.543 -12.540  -7.740
 1033    HD2  PHE  90           HD1      PHE  90  -1.117 -14.750  -5.029
 1034    HE1  PHE  90           HE2      PHE  90  -1.660 -12.400  -9.316
 1035    HE2  PHE  90           HE1      PHE  90   0.772 -14.611  -6.600
 1036    HZ   PHE  90           HZ       PHE  90   0.499 -13.435  -8.746
 1037    H    GLU  91           H        GLU  91  -3.929 -16.223  -3.731
 1038    HA   GLU  91           HA       GLU  91  -2.480 -18.247  -5.051
 1039    HB2  GLU  91           HB2      GLU  91  -3.948 -18.277  -2.404
 1040    HB3  GLU  91           HB3      GLU  91  -2.894 -19.571  -2.955
 1041    HG2  GLU  91           HG2      GLU  91  -2.071 -16.721  -2.450
 1042    HG3  GLU  91           HG3      GLU  91  -1.755 -18.098  -1.395
 1043    H    GLY  92           H        GLY  92  -5.872 -17.953  -4.108
 1044    HA2  GLY  92           HA2      GLY  92  -7.687 -18.794  -5.293
 1045    HA3  GLY  92           HA3      GLY  92  -6.576 -19.743  -6.280
 1046    H    PHE  93           H        PHE  93  -6.988 -19.594  -2.780
 1047    HA   PHE  93           HA       PHE  93  -6.599 -22.106  -1.993
 1048    HB2  PHE  93           HB2      PHE  93  -8.295 -21.753  -0.196
 1049    HB3  PHE  93           HB3      PHE  93  -7.196 -20.397  -0.405
 1050    HD1  PHE  93           HD1      PHE  93  -8.013 -18.368  -1.665
 1051    HD2  PHE  93           HD2      PHE  93 -10.617 -21.472  -0.370
 1052    HE1  PHE  93           HE1      PHE  93  -9.931 -16.848  -1.899
 1053    HE2  PHE  93           HE2      PHE  93 -12.541 -19.958  -0.605
 1054    HZ   PHE  93           HZ       PHE  93 -12.201 -17.644  -1.369
 1055    HA   PRO  94           HA       PRO  94  -9.379 -24.577  -4.365
 1056    HB2  PRO  94           HB2      PRO  94  -8.764 -26.972  -3.246
 1057    HB3  PRO  94           HB3      PRO  94  -7.710 -26.148  -4.400
 1058    HG2  PRO  94           HG2      PRO  94  -7.534 -26.260  -1.418
 1059    HG3  PRO  94           HG3      PRO  94  -6.237 -26.367  -2.622
 1060    HD2  PRO  94           HD2      PRO  94  -6.794 -24.094  -1.234
 1061    HD3  PRO  94           HD3      PRO  94  -6.112 -24.086  -2.873
 1062    H    ASP  95           H        ASP  95 -11.207 -23.552  -3.369
 1063    HA   ASP  95           HA       ASP  95 -13.284 -23.677  -2.486
 1064    HB2  ASP  95           HB2      ASP  95 -12.548 -26.582  -2.163
 1065    HB3  ASP  95           HB3      ASP  95 -14.132 -25.941  -1.741
 1066    H    LYS  96           H        LYS  96 -13.153 -22.348  -0.757
 1067    HA   LYS  96           HA       LYS  96 -12.201 -23.228   1.801
 1068    HB2  LYS  96           HB2      LYS  96 -12.353 -20.819   1.125
 1069    HB3  LYS  96           HB3      LYS  96 -14.105 -20.959   1.164
 1070    HG2  LYS  96           HG2      LYS  96 -14.001 -21.509   3.547
 1071    HG3  LYS  96           HG3      LYS  96 -12.245 -21.334   3.500
 1072    HD2  LYS  96           HD2      LYS  96 -12.512 -18.991   2.818
 1073    HD3  LYS  96           HD3      LYS  96 -14.266 -19.174   2.904
 1074    HE2  LYS  96           HE2      LYS  96 -13.510 -18.133   4.926
 1075    HE3  LYS  96           HE3      LYS  96 -14.029 -19.773   5.302
 1076    HZ1  LYS  96           HZ1      LYS  96 -11.996 -19.350   6.433
 1077    HZ2  LYS  96           HZ2      LYS  96 -11.242 -18.794   5.023
 1078    HZ3  LYS  96           HZ3      LYS  96 -11.648 -20.435   5.174
 1079    H    GLN  97           H        GLN  97 -13.222 -24.609   3.088
 1080    HA   GLN  97           HA       GLN  97 -15.314 -26.152   2.264
 1081    HB2  GLN  97           HB2      GLN  97 -13.735 -26.655   4.129
 1082    HB3  GLN  97           HB3      GLN  97 -14.672 -25.580   5.158
 1083    HG2  GLN  97           HG2      GLN  97 -16.634 -27.004   4.855
 1084    HG3  GLN  97           HG3      GLN  97 -15.686 -28.085   3.833
 1085   HE21  GLN  97          HE21      GLN  97 -15.947 -29.839   5.164
 1086   HE22  GLN  97          HE22      GLN  97 -15.162 -29.970   6.709
 1087    HA   PRO  98           HA       PRO  98 -18.719 -23.279   2.970
 1088    HB2  PRO  98           HB2      PRO  98 -20.375 -24.330   1.144
 1089    HB3  PRO  98           HB3      PRO  98 -18.977 -23.361   0.665
 1090    HG2  PRO  98           HG2      PRO  98 -19.338 -26.320   0.626
 1091    HG3  PRO  98           HG3      PRO  98 -18.497 -25.276  -0.532
 1092    HD2  PRO  98           HD2      PRO  98 -17.281 -26.775   1.474
 1093    HD3  PRO  98           HD3      PRO  98 -16.544 -25.402   0.625
 1094    H    ARG  99           H        ARG  99 -18.316 -25.131   4.898
 1095    HA   ARG  99           HA       ARG  99 -20.323 -27.143   5.027
 1096    HB2  ARG  99           HB2      ARG  99 -19.556 -27.416   7.381
 1097    HB3  ARG  99           HB3      ARG  99 -18.262 -27.501   6.198
 1098    HG2  ARG  99           HG2      ARG  99 -17.739 -25.111   6.718
 1099    HG3  ARG  99           HG3      ARG  99 -18.915 -25.204   8.029
 1100    HD2  ARG  99           HD2      ARG  99 -16.430 -26.882   7.721
 1101    HD3  ARG  99           HD3      ARG  99 -16.671 -25.571   8.874
 1102    HE   ARG  99           HE       ARG  99 -18.671 -27.205   9.542
 1103   HH11  ARG  99          HH12      ARG  99 -15.304 -27.891   8.857
 1104   HH12  ARG  99          HH11      ARG  99 -15.223 -29.242   9.948
 1105   HH21  ARG  99          HH22      ARG  99 -18.564 -28.996  10.968
 1106   HH22  ARG  99          HH21      ARG  99 -17.073 -29.870  11.138
 1107    H    LYS 100           H        LYS 100 -22.317 -26.233   4.778
 1108    HA   LYS 100           HA       LYS 100 -23.248 -24.610   7.050
 1109    HB2  LYS 100           HB2      LYS 100 -24.303 -24.661   4.217
 1110    HB3  LYS 100           HB3      LYS 100 -25.037 -23.772   5.544
 1111    HG2  LYS 100           HG2      LYS 100 -22.939 -22.471   5.766
 1112    HG3  LYS 100           HG3      LYS 100 -22.321 -23.300   4.334
 1113    HD2  LYS 100           HD2      LYS 100 -24.180 -22.430   3.017
 1114    HD3  LYS 100           HD3      LYS 100 -24.828 -21.625   4.447
 1115    HE2  LYS 100           HE2      LYS 100 -22.714 -20.318   4.589
 1116    HE3  LYS 100           HE3      LYS 100 -22.214 -21.044   3.062
 1117    HZ1  LYS 100           HZ1      LYS 100 -24.619 -19.353   3.494
 1118    HZ2  LYS 100           HZ2      LYS 100 -24.205 -20.096   2.027
 1119    HZ3  LYS 100           HZ3      LYS 100 -23.204 -18.889   2.677
 1120    H    LYS 101           H        LYS 101 -23.256 -27.638   5.839
 1121    HA   LYS 101           HA       LYS 101 -25.951 -28.198   6.883
 1122    HB2  LYS 101           HB2      LYS 101 -24.514 -29.707   4.688
 1123    HB3  LYS 101           HB3      LYS 101 -26.108 -30.084   5.326
 1124    HG2  LYS 101           HG2      LYS 101 -25.329 -27.606   3.800
 1125    HG3  LYS 101           HG3      LYS 101 -26.301 -28.951   3.204
 1126    HD2  LYS 101           HD2      LYS 101 -27.051 -27.140   5.501
 1127    HD3  LYS 101           HD3      LYS 101 -27.669 -27.004   3.854
 1128    HE2  LYS 101           HE2      LYS 101 -28.660 -29.228   4.035
 1129    HE3  LYS 101           HE3      LYS 101 -28.017 -29.388   5.668
 1130    HZ1  LYS 101           HZ1      LYS 101 -29.932 -27.281   4.822
 1131    HZ2  LYS 101           HZ2      LYS 101 -29.399 -27.592   6.401
 1132    HZ3  LYS 101           HZ3      LYS 101 -30.377 -28.722   5.599
 1133    H    MET   1           H1       MET   1  -4.428   0.825 -21.690
 1134    HA   MET   1           HA       MET   1  -2.635   1.112 -20.156
 1135    HB2  MET   1           HB2      MET   1  -4.102   3.379 -19.403
 1136    HB3  MET   1           HB3      MET   1  -4.174   2.314 -18.007
 1137    HG2  MET   1           HG2      MET   1  -1.669   3.240 -19.391
 1138    HG3  MET   1           HG3      MET   1  -2.302   3.861 -17.868
 1139    HE1  MET   1           HE1      MET   1   0.102   3.416 -16.775
 1140    HE2  MET   1           HE2      MET   1   0.916   1.852 -16.825
 1141    HE3  MET   1           HE3      MET   1   0.680   2.771 -18.312
 1142    H    ALA   2           H        ALA   2  -2.881   0.331 -17.615
 1143    HA   ALA   2           HA       ALA   2  -4.651  -1.984 -17.754
 1144    HB1  ALA   2           HB1      ALA   2  -2.555  -1.216 -15.716
 1145    HB2  ALA   2           HB2      ALA   2  -3.437  -2.742 -15.764
 1146    HB3  ALA   2           HB3      ALA   2  -2.319  -2.329 -17.065
 1147    H    CYS   3           H        CYS   3  -5.769  -2.490 -15.559
 1148    HA   CYS   3           HA       CYS   3  -7.321  -0.217 -14.760
 1149    HB2  CYS   3           HB2      CYS   3  -7.235  -2.998 -13.560
 1150    HB3  CYS   3           HB3      CYS   3  -8.486  -1.784 -13.298
 1151    HG   CYS   3           HG       CYS   3  -9.413  -1.832 -15.929
 1152    HA   PRO   4           HA       PRO   4  -3.788   1.106 -12.444
 1153    HB2  PRO   4           HB2      PRO   4  -5.870   2.897 -11.298
 1154    HB3  PRO   4           HB3      PRO   4  -4.273   3.309 -11.935
 1155    HG2  PRO   4           HG2      PRO   4  -6.403   3.815 -13.389
 1156    HG3  PRO   4           HG3      PRO   4  -4.986   3.066 -14.161
 1157    HD2  PRO   4           HD2      PRO   4  -7.552   1.799 -13.276
 1158    HD3  PRO   4           HD3      PRO   4  -6.608   1.520 -14.757
 1159    H    LEU   5           H        LEU   5  -6.772   1.354 -10.508
 1160    HA   LEU   5           HA       LEU   5  -5.319   0.837  -8.106
 1161    HB2  LEU   5           HB2      LEU   5  -7.710   2.058  -8.734
 1162    HB3  LEU   5           HB3      LEU   5  -8.226   0.577  -7.954
 1163    HG   LEU   5           HG       LEU   5  -8.080   2.477  -6.393
 1164   HD11  LEU   5          HD11      LEU   5  -6.781   1.353  -4.668
 1165   HD12  LEU   5          HD12      LEU   5  -7.826   0.238  -5.548
 1166   HD13  LEU   5          HD13      LEU   5  -6.098   0.281  -5.892
 1167   HD21  LEU   5          HD21      LEU   5  -5.138   2.375  -7.014
 1168   HD22  LEU   5          HD22      LEU   5  -6.246   3.700  -7.373
 1169   HD23  LEU   5          HD23      LEU   5  -5.879   3.289  -5.697
 1170    H    GLU   6           H        GLU   6  -6.972  -1.104 -10.422
 1171    HA   GLU   6           HA       GLU   6  -7.457  -3.377  -8.791
 1172    HB2  GLU   6           HB2      GLU   6  -8.546  -3.188 -10.954
 1173    HB3  GLU   6           HB3      GLU   6  -6.989  -3.148 -11.771
 1174    HG2  GLU   6           HG2      GLU   6  -6.581  -5.455 -10.814
 1175    HG3  GLU   6           HG3      GLU   6  -8.284  -5.459 -10.363
 1176    H    LYS   7           H        LYS   7  -4.845  -2.552 -11.058
 1177    HA   LYS   7           HA       LYS   7  -3.358  -4.879 -10.522
 1178    HB2  LYS   7           HB2      LYS   7  -2.804  -2.321 -11.970
 1179    HB3  LYS   7           HB3      LYS   7  -1.448  -3.379 -11.567
 1180    HG2  LYS   7           HG2      LYS   7  -3.904  -4.284 -13.058
 1181    HG3  LYS   7           HG3      LYS   7  -2.413  -3.738 -13.834
 1182    HD2  LYS   7           HD2      LYS   7  -1.169  -5.536 -12.918
 1183    HD3  LYS   7           HD3      LYS   7  -2.469  -5.971 -11.812
 1184    HE2  LYS   7           HE2      LYS   7  -2.621  -6.157 -14.814
 1185    HE3  LYS   7           HE3      LYS   7  -2.258  -7.501 -13.731
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.432  -7.231 -12.709
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.590  -7.477 -14.377
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.781  -5.925 -13.729
 1189    H    ALA   8           H        ALA   8  -3.496  -1.793  -8.952
 1190    HA   ALA   8           HA       ALA   8  -1.131  -1.681  -7.583
 1191    HB1  ALA   8           HB1      ALA   8  -2.870   0.029  -7.412
 1192    HB2  ALA   8           HB2      ALA   8  -3.857  -1.067  -6.443
 1193    HB3  ALA   8           HB3      ALA   8  -2.314  -0.484  -5.818
 1194    H    LEU   9           H        LEU   9  -4.044  -3.495  -6.492
 1195    HA   LEU   9           HA       LEU   9  -2.527  -4.674  -4.330
 1196    HB2  LEU   9           HB2      LEU   9  -5.280  -5.526  -5.241
 1197    HB3  LEU   9           HB3      LEU   9  -4.513  -5.873  -3.716
 1198    HG   LEU   9           HG       LEU   9  -6.026  -4.229  -3.150
 1199   HD11  LEU   9          HD11      LEU   9  -3.835  -3.664  -2.322
 1200   HD12  LEU   9          HD12      LEU   9  -3.498  -2.741  -3.787
 1201   HD13  LEU   9          HD13      LEU   9  -4.764  -2.207  -2.682
 1202   HD21  LEU   9          HD21      LEU   9  -6.459  -2.205  -4.412
 1203   HD22  LEU   9          HD22      LEU   9  -5.266  -2.686  -5.617
 1204   HD23  LEU   9          HD23      LEU   9  -6.735  -3.636  -5.405
 1205    H    ASP  10           H        ASP  10  -3.630  -5.591  -7.508
 1206    HA   ASP  10           HA       ASP  10  -3.181  -8.346  -7.426
 1207    HB2  ASP  10           HB2      ASP  10  -4.334  -7.394  -9.298
 1208    HB3  ASP  10           HB3      ASP  10  -2.966  -6.361  -9.695
 1209    H    VAL  11           H        VAL  11  -0.996  -5.753  -8.456
 1210    HA   VAL  11           HA       VAL  11   1.149  -7.529  -9.038
 1211    HB   VAL  11           HB       VAL  11   2.453  -5.587  -9.491
 1212   HG11  VAL  11          HG11      VAL  11  -0.411  -5.048 -10.268
 1213   HG12  VAL  11          HG12      VAL  11   1.022  -4.419 -11.073
 1214   HG13  VAL  11          HG13      VAL  11   0.688  -6.150 -11.102
 1215   HG21  VAL  11          HG21      VAL  11   1.960  -4.301  -7.481
 1216   HG22  VAL  11          HG22      VAL  11   1.720  -3.320  -8.926
 1217   HG23  VAL  11          HG23      VAL  11   0.327  -3.986  -8.070
 1218    H    MET  12           H        MET  12   0.057  -5.919  -6.197
 1219    HA   MET  12           HA       MET  12   2.366  -5.822  -4.644
 1220    HB2  MET  12           HB2      MET  12  -0.534  -6.140  -4.055
 1221    HB3  MET  12           HB3      MET  12   0.626  -6.389  -2.756
 1222    HG2  MET  12           HG2      MET  12   1.452  -4.185  -2.954
 1223    HG3  MET  12           HG3      MET  12   0.570  -3.922  -4.459
 1224    HE1  MET  12           HE1      MET  12   0.019  -1.606  -3.001
 1225    HE2  MET  12           HE2      MET  12  -0.994  -1.649  -1.543
 1226    HE3  MET  12           HE3      MET  12   0.653  -2.292  -1.496
 1227    H    VAL  13           H        VAL  13   0.055  -8.493  -5.074
 1228    HA   VAL  13           HA       VAL  13   1.865 -10.270  -3.640
 1229    HB   VAL  13           HB       VAL  13   0.092 -11.993  -3.972
 1230   HG11  VAL  13          HG11      VAL  13   0.223 -10.658  -1.939
 1231   HG12  VAL  13          HG12      VAL  13  -0.783  -9.414  -2.682
 1232   HG13  VAL  13          HG13      VAL  13  -1.453 -11.012  -2.356
 1233   HG21  VAL  13          HG21      VAL  13  -0.935 -11.114  -5.997
 1234   HG22  VAL  13          HG22      VAL  13  -2.127 -11.254  -4.705
 1235   HG23  VAL  13          HG23      VAL  13  -1.461  -9.675  -5.121
 1236    H    SER  14           H        SER  14   1.124  -9.397  -6.874
 1237    HA   SER  14           HA       SER  14   1.956 -11.852  -8.100
 1238    HB2  SER  14           HB2      SER  14   0.384 -10.283  -9.194
 1239    HB3  SER  14           HB3      SER  14   1.674  -9.088  -9.303
 1240    HG   SER  14           HG       SER  14   1.280 -10.412 -11.219
 1241    H    THR  15           H        THR  15   3.416  -8.584  -8.129
 1242    HA   THR  15           HA       THR  15   5.965  -9.446  -9.002
 1243    HB   THR  15           HB       THR  15   5.262  -6.932  -7.459
 1244    HG1  THR  15           HG1      THR  15   5.563  -6.772 -10.192
 1245   HG21  THR  15          HG21      THR  15   7.525  -7.465  -9.390
 1246   HG22  THR  15          HG22      THR  15   7.686  -7.405  -7.635
 1247   HG23  THR  15          HG23      THR  15   7.211  -5.959  -8.527
 1248    H    PHE  16           H        PHE  16   4.384  -9.339  -5.972
 1249    HA   PHE  16           HA       PHE  16   6.304  -9.431  -4.037
 1250    HB2  PHE  16           HB2      PHE  16   3.792  -9.629  -3.843
 1251    HB3  PHE  16           HB3      PHE  16   3.968 -11.328  -4.239
 1252    HD1  PHE  16           HD1      PHE  16   5.990  -9.177  -1.984
 1253    HD2  PHE  16           HD2      PHE  16   3.325 -12.463  -2.371
 1254    HE1  PHE  16           HE1      PHE  16   6.237  -9.656   0.413
 1255    HE2  PHE  16           HE2      PHE  16   3.571 -12.951   0.022
 1256    HZ   PHE  16           HZ       PHE  16   5.028 -11.544   1.418
 1257    H    HIS  17           H        HIS  17   4.918 -12.420  -5.393
 1258    HA   HIS  17           HA       HIS  17   7.066 -14.016  -4.448
 1259    HB2  HIS  17           HB2      HIS  17   6.009 -15.873  -5.639
 1260    HB3  HIS  17           HB3      HIS  17   4.817 -14.952  -4.737
 1261    HD1  HIS  17           HD1      HIS  17   6.043 -15.393  -8.313
 1262    HD2  HIS  17           HD2      HIS  17   2.676 -14.132  -6.218
 1263    HE1  HIS  17           HE1      HIS  17   4.255 -15.054 -10.040
 1264    HE2  HIS  17           HE2      HIS  17   2.174 -14.544  -8.728
 1265    H    LYS  18           H        LYS  18   6.777 -12.034  -7.123
 1266    HA   LYS  18           HA       LYS  18   8.251 -13.436  -9.077
 1267    HB2  LYS  18           HB2      LYS  18   6.823 -11.552  -9.627
 1268    HB3  LYS  18           HB3      LYS  18   7.796 -10.479  -8.638
 1269    HG2  LYS  18           HG2      LYS  18   9.686 -10.817 -10.193
 1270    HG3  LYS  18           HG3      LYS  18   8.634 -11.811 -11.205
 1271    HD2  LYS  18           HD2      LYS  18   7.140  -9.937 -11.558
 1272    HD3  LYS  18           HD3      LYS  18   8.084  -8.939 -10.452
 1273    HE2  LYS  18           HE2      LYS  18  10.022  -9.170 -11.981
 1274    HE3  LYS  18           HE3      LYS  18   8.990 -10.051 -13.106
 1275    HZ1  LYS  18           HZ1      LYS  18   8.621  -7.229 -12.220
 1276    HZ2  LYS  18           HZ2      LYS  18   7.562  -8.076 -13.242
 1277    HZ3  LYS  18           HZ3      LYS  18   9.143  -7.748 -13.750
 1278    H    TYR  19           H        TYR  19   9.219 -11.478  -6.321
 1279    HA   TYR  19           HA       TYR  19  12.037 -11.916  -7.102
 1280    HB2  TYR  19           HB2      TYR  19  10.808  -9.515  -5.753
 1281    HB3  TYR  19           HB3      TYR  19  12.547  -9.809  -5.811
 1282    HD1  TYR  19           HD2      TYR  19  13.664  -9.991  -8.063
 1283    HD2  TYR  19           HD1      TYR  19   9.686  -8.565  -7.599
 1284    HE1  TYR  19           HE2      TYR  19  13.764  -8.999 -10.310
 1285    HE2  TYR  19           HE1      TYR  19   9.772  -7.574  -9.846
 1286    HH   TYR  19           HH       TYR  19  12.191  -8.338 -12.093
 1287    H    SER  20           H        SER  20   9.684 -12.265  -4.580
 1288    HA   SER  20           HA       SER  20  11.623 -12.612  -2.490
 1289    HB2  SER  20           HB2      SER  20   9.647 -13.436  -1.192
 1290    HB3  SER  20           HB3      SER  20   9.421 -11.834  -1.904
 1291    HG   SER  20           HG       SER  20   7.630 -13.310  -2.212
 1292    H    GLY  21           H        GLY  21   9.827 -14.703  -4.673
 1293    HA2  GLY  21           HA2      GLY  21  10.754 -17.138  -3.428
 1294    HA3  GLY  21           HA3      GLY  21   9.850 -17.010  -4.932
 1295    H    LYS  22           H        LYS  22  12.845 -15.396  -4.106
 1296    HA   LYS  22           HA       LYS  22  14.113 -16.693  -6.421
 1297    HB2  LYS  22           HB2      LYS  22  13.820 -14.290  -6.652
 1298    HB3  LYS  22           HB3      LYS  22  14.607 -14.016  -5.108
 1299    HG2  LYS  22           HG2      LYS  22  16.702 -14.874  -6.035
 1300    HG3  LYS  22           HG3      LYS  22  15.901 -15.116  -7.592
 1301    HD2  LYS  22           HD2      LYS  22  16.056 -12.463  -6.176
 1302    HD3  LYS  22           HD3      LYS  22  17.203 -12.982  -7.415
 1303    HE2  LYS  22           HE2      LYS  22  14.222 -12.723  -7.793
 1304    HE3  LYS  22           HE3      LYS  22  15.409 -11.514  -8.277
 1305    HZ1  LYS  22           HZ1      LYS  22  14.820 -12.849 -10.153
 1306    HZ2  LYS  22           HZ2      LYS  22  15.174 -14.286  -9.326
 1307    HZ3  LYS  22           HZ3      LYS  22  16.420 -13.205  -9.729
 1308    H    GLU  23           H        GLU  23  15.044 -15.143  -3.356
 1309    HA   GLU  23           HA       GLU  23  17.056 -17.263  -2.973
 1310    HB2  GLU  23           HB2      GLU  23  16.810 -14.530  -1.701
 1311    HB3  GLU  23           HB3      GLU  23  18.057 -15.706  -1.313
 1312    HG2  GLU  23           HG2      GLU  23  17.639 -14.524  -4.048
 1313    HG3  GLU  23           HG3      GLU  23  18.783 -13.905  -2.857
 1314    H    GLY  24           H        GLY  24  14.389 -15.543  -1.384
 1315    HA2  GLY  24           HA2      GLY  24  14.580 -17.462   0.852
 1316    HA3  GLY  24           HA3      GLY  24  13.921 -15.841   0.985
 1317    H    ASP  25           H        ASP  25  11.881 -16.169   1.604
 1318    HA   ASP  25           HA       ASP  25  10.293 -18.293   0.383
 1319    HB2  ASP  25           HB2      ASP  25   9.660 -16.404   2.663
 1320    HB3  ASP  25           HB3      ASP  25   8.585 -17.671   2.083
 1321    H    LYS  26           H        LYS  26   8.268 -17.895  -0.598
 1322    HA   LYS  26           HA       LYS  26   8.305 -15.662  -2.345
 1323    HB2  LYS  26           HB2      LYS  26   6.294 -16.530  -3.271
 1324    HB3  LYS  26           HB3      LYS  26   7.276 -17.918  -2.816
 1325    HG2  LYS  26           HG2      LYS  26   5.920 -18.451  -1.014
 1326    HG3  LYS  26           HG3      LYS  26   5.210 -16.837  -0.944
 1327    HD2  LYS  26           HD2      LYS  26   4.236 -17.329  -3.218
 1328    HD3  LYS  26           HD3      LYS  26   4.708 -19.008  -2.947
 1329    HE2  LYS  26           HE2      LYS  26   2.917 -17.400  -1.129
 1330    HE3  LYS  26           HE3      LYS  26   2.346 -18.542  -2.342
 1331    HZ1  LYS  26           HZ1      LYS  26   3.192 -20.335  -1.161
 1332    HZ2  LYS  26           HZ2      LYS  26   2.554 -19.341   0.056
 1333    HZ3  LYS  26           HZ3      LYS  26   4.225 -19.382  -0.218
 1334    H    PHE  27           H        PHE  27   7.077 -16.027   0.825
 1335    HA   PHE  27           HA       PHE  27   5.235 -13.760   0.447
 1336    HB2  PHE  27           HB2      PHE  27   4.297 -14.486   2.688
 1337    HB3  PHE  27           HB3      PHE  27   4.036 -15.603   1.355
 1338    HD1  PHE  27           HD1      PHE  27   6.646 -14.987   3.971
 1339    HD2  PHE  27           HD2      PHE  27   4.271 -17.813   1.853
 1340    HE1  PHE  27           HE1      PHE  27   7.622 -16.805   5.310
 1341    HE2  PHE  27           HE2      PHE  27   5.245 -19.634   3.188
 1342    HZ   PHE  27           HZ       PHE  27   6.922 -19.132   4.918
 1343    H    LYS  28           H        LYS  28   8.304 -14.042   1.126
 1344    HA   LYS  28           HA       LYS  28   8.204 -11.537   2.504
 1345    HB2  LYS  28           HB2      LYS  28   9.374 -12.078   4.503
 1346    HB3  LYS  28           HB3      LYS  28   7.971 -13.114   4.383
 1347    HG2  LYS  28           HG2      LYS  28   9.368 -14.759   4.918
 1348    HG3  LYS  28           HG3      LYS  28   9.940 -14.644   3.248
 1349    HD2  LYS  28           HD2      LYS  28  11.858 -13.645   3.850
 1350    HD3  LYS  28           HD3      LYS  28  11.088 -12.671   5.082
 1351    HE2  LYS  28           HE2      LYS  28  12.566 -14.105   6.224
 1352    HE3  LYS  28           HE3      LYS  28  10.951 -14.748   6.491
 1353    HZ1  LYS  28           HZ1      LYS  28  12.543 -16.491   6.011
 1354    HZ2  LYS  28           HZ2      LYS  28  12.922 -15.777   4.523
 1355    HZ3  LYS  28           HZ3      LYS  28  11.376 -16.414   4.783
 1356    H    LEU  29           H        LEU  29   9.849 -10.273   2.077
 1357    HA   LEU  29           HA       LEU  29  11.924 -11.384   0.306
 1358    HB2  LEU  29           HB2      LEU  29  10.719  -8.630   0.495
 1359    HB3  LEU  29           HB3      LEU  29  12.128  -8.994  -0.484
 1360    HG   LEU  29           HG       LEU  29  10.572 -10.731  -1.636
 1361   HD11  LEU  29          HD11      LEU  29   8.559  -8.870  -0.403
 1362   HD12  LEU  29          HD12      LEU  29   8.222 -10.061  -1.657
 1363   HD13  LEU  29          HD13      LEU  29   8.740 -10.588  -0.056
 1364   HD21  LEU  29          HD21      LEU  29   9.803  -9.020  -3.204
 1365   HD22  LEU  29          HD22      LEU  29  10.196  -7.764  -2.028
 1366   HD23  LEU  29          HD23      LEU  29  11.480  -8.752  -2.726
 1367    H    ASN  30           H        ASN  30  13.938 -11.454   1.124
 1368    HA   ASN  30           HA       ASN  30  14.676  -9.713   3.320
 1369    HB2  ASN  30           HB2      ASN  30  16.700 -10.914   3.462
 1370    HB3  ASN  30           HB3      ASN  30  15.509 -12.127   3.011
 1371   HD21  ASN  30          HD21      ASN  30  15.550 -12.991   0.933
 1372   HD22  ASN  30          HD22      ASN  30  16.925 -12.805  -0.096
 1373    H    LYS  31           H        LYS  31  17.255  -8.958   2.735
 1374    HA   LYS  31           HA       LYS  31  16.849  -6.529   1.496
 1375    HB2  LYS  31           HB2      LYS  31  19.485  -8.006   1.612
 1376    HB3  LYS  31           HB3      LYS  31  19.267  -6.274   1.420
 1377    HG2  LYS  31           HG2      LYS  31  18.189  -6.239   3.670
 1378    HG3  LYS  31           HG3      LYS  31  18.650  -7.934   3.848
 1379    HD2  LYS  31           HD2      LYS  31  21.026  -7.182   3.339
 1380    HD3  LYS  31           HD3      LYS  31  20.442  -5.534   3.576
 1381    HE2  LYS  31           HE2      LYS  31  21.373  -6.244   5.640
 1382    HE3  LYS  31           HE3      LYS  31  19.619  -6.260   5.834
 1383    HZ1  LYS  31           HZ1      LYS  31  19.676  -8.671   5.387
 1384    HZ2  LYS  31           HZ2      LYS  31  20.552  -8.247   6.775
 1385    HZ3  LYS  31           HZ3      LYS  31  21.368  -8.611   5.334
 1386    H    SER  32           H        SER  32  18.250  -9.482   0.052
 1387    HA   SER  32           HA       SER  32  19.007  -8.238  -2.371
 1388    HB2  SER  32           HB2      SER  32  19.249 -10.589  -3.214
 1389    HB3  SER  32           HB3      SER  32  20.104 -10.267  -1.706
 1390    HG   SER  32           HG       SER  32  17.673 -11.696  -2.101
 1391    H    GLU  33           H        GLU  33  16.027  -9.676  -1.304
 1392    HA   GLU  33           HA       GLU  33  14.954 -10.061  -3.940
 1393    HB2  GLU  33           HB2      GLU  33  13.269  -9.873  -1.465
 1394    HB3  GLU  33           HB3      GLU  33  13.015 -10.858  -2.896
 1395    HG2  GLU  33           HG2      GLU  33  15.093 -11.305  -0.768
 1396    HG3  GLU  33           HG3      GLU  33  13.606 -12.219  -0.990
 1397    H    LEU  34           H        LEU  34  14.462  -7.781  -1.275
 1398    HA   LEU  34           HA       LEU  34  12.541  -6.181  -2.560
 1399    HB2  LEU  34           HB2      LEU  34  14.359  -5.846  -0.234
 1400    HB3  LEU  34           HB3      LEU  34  13.590  -4.415  -0.894
 1401    HG   LEU  34           HG       LEU  34  12.069  -6.855  -0.003
 1402   HD11  LEU  34          HD11      LEU  34  11.481  -5.531   1.981
 1403   HD12  LEU  34          HD12      LEU  34  13.207  -5.889   1.907
 1404   HD13  LEU  34          HD13      LEU  34  12.621  -4.285   1.471
 1405   HD21  LEU  34          HD21      LEU  34  10.902  -5.508  -1.638
 1406   HD22  LEU  34          HD22      LEU  34  10.167  -5.284  -0.049
 1407   HD23  LEU  34          HD23      LEU  34  11.237  -4.043  -0.712
 1408    H    LYS  35           H        LYS  35  16.074  -5.958  -2.449
 1409    HA   LYS  35           HA       LYS  35  16.317  -3.479  -3.681
 1410    HB2  LYS  35           HB2      LYS  35  18.172  -4.877  -2.628
 1411    HB3  LYS  35           HB3      LYS  35  18.249  -5.743  -4.158
 1412    HG2  LYS  35           HG2      LYS  35  18.989  -3.861  -5.325
 1413    HG3  LYS  35           HG3      LYS  35  18.470  -2.757  -4.052
 1414    HD2  LYS  35           HD2      LYS  35  20.851  -2.906  -3.961
 1415    HD3  LYS  35           HD3      LYS  35  20.206  -3.777  -2.569
 1416    HE2  LYS  35           HE2      LYS  35  20.479  -5.892  -3.798
 1417    HE3  LYS  35           HE3      LYS  35  21.175  -4.996  -5.147
 1418    HZ1  LYS  35           HZ1      LYS  35  22.304  -5.040  -2.401
 1419    HZ2  LYS  35           HZ2      LYS  35  23.000  -4.319  -3.768
 1420    HZ3  LYS  35           HZ3      LYS  35  22.856  -6.004  -3.680
 1421    H    GLU  36           H        GLU  36  16.329  -6.714  -5.206
 1422    HA   GLU  36           HA       GLU  36  16.413  -5.762  -7.840
 1423    HB2  GLU  36           HB2      GLU  36  15.813  -8.321  -6.548
 1424    HB3  GLU  36           HB3      GLU  36  14.984  -8.066  -8.078
 1425    HG2  GLU  36           HG2      GLU  36  17.100  -7.611  -9.173
 1426    HG3  GLU  36           HG3      GLU  36  17.948  -7.839  -7.649
 1427    H    LEU  37           H        LEU  37  13.666  -6.492  -5.732
 1428    HA   LEU  37           HA       LEU  37  11.526  -6.096  -7.415
 1429    HB2  LEU  37           HB2      LEU  37  11.491  -6.659  -4.951
 1430    HB3  LEU  37           HB3      LEU  37  11.746  -4.950  -4.637
 1431    HG   LEU  37           HG       LEU  37   9.566  -4.785  -6.196
 1432   HD11  LEU  37          HD11      LEU  37   8.002  -6.546  -5.602
 1433   HD12  LEU  37          HD12      LEU  37   9.394  -7.210  -6.458
 1434   HD13  LEU  37          HD13      LEU  37   9.267  -7.390  -4.707
 1435   HD21  LEU  37          HD21      LEU  37   8.288  -4.533  -4.140
 1436   HD22  LEU  37          HD22      LEU  37   9.560  -5.351  -3.234
 1437   HD23  LEU  37          HD23      LEU  37   9.878  -3.787  -3.984
 1438    H    LEU  38           H        LEU  38  13.115  -3.595  -5.448
 1439    HA   LEU  38           HA       LEU  38  11.650  -1.466  -6.612
 1440    HB2  LEU  38           HB2      LEU  38  14.041  -1.589  -4.814
 1441    HB3  LEU  38           HB3      LEU  38  13.475  -0.060  -5.463
 1442    HG   LEU  38           HG       LEU  38  11.184  -1.229  -4.403
 1443   HD11  LEU  38          HD11      LEU  38  11.783  -1.817  -2.123
 1444   HD12  LEU  38          HD12      LEU  38  12.516  -2.921  -3.287
 1445   HD13  LEU  38          HD13      LEU  38  13.492  -1.664  -2.525
 1446   HD21  LEU  38          HD21      LEU  38  11.368   0.542  -2.732
 1447   HD22  LEU  38          HD22      LEU  38  13.062   0.783  -3.163
 1448   HD23  LEU  38          HD23      LEU  38  11.793   1.130  -4.339
 1449    H    THR  39           H        THR  39  14.908  -2.765  -7.254
 1450    HA   THR  39           HA       THR  39  15.778  -0.677  -8.916
 1451    HB   THR  39           HB       THR  39  17.340  -2.314  -9.937
 1452    HG1  THR  39           HG1      THR  39  15.561  -4.092  -8.783
 1453   HG21  THR  39          HG21      THR  39  17.915  -1.210  -7.829
 1454   HG22  THR  39          HG22      THR  39  18.568  -2.849  -7.904
 1455   HG23  THR  39          HG23      THR  39  17.129  -2.517  -6.941
 1456    H    ARG  40           H        ARG  40  13.563  -3.263  -9.528
 1457    HA   ARG  40           HA       ARG  40  13.817  -3.006 -12.406
 1458    HB2  ARG  40           HB2      ARG  40  12.212  -4.837 -10.642
 1459    HB3  ARG  40           HB3      ARG  40  12.110  -4.859 -12.400
 1460    HG2  ARG  40           HG2      ARG  40  14.590  -5.375 -10.769
 1461    HG3  ARG  40           HG3      ARG  40  13.589  -6.603 -11.546
 1462    HD2  ARG  40           HD2      ARG  40  15.221  -4.449 -12.876
 1463    HD3  ARG  40           HD3      ARG  40  15.490  -6.192 -12.936
 1464    HE   ARG  40           HE       ARG  40  12.909  -5.495 -13.929
 1465   HH11  ARG  40          HH12      ARG  40  16.297  -5.681 -14.784
 1466   HH12  ARG  40          HH11      ARG  40  15.997  -5.663 -16.496
 1467   HH21  ARG  40          HH22      ARG  40  12.499  -5.513 -16.159
 1468   HH22  ARG  40          HH21      ARG  40  13.824  -5.589 -17.282
 1469    H    GLU  41           H        GLU  41  11.091  -2.889 -10.073
 1470    HA   GLU  41           HA       GLU  41   9.587  -1.454 -12.131
 1471    HB2  GLU  41           HB2      GLU  41   8.828  -3.276  -9.947
 1472    HB3  GLU  41           HB3      GLU  41   7.733  -1.928 -10.216
 1473    HG2  GLU  41           HG2      GLU  41   6.838  -3.568 -11.573
 1474    HG3  GLU  41           HG3      GLU  41   7.829  -2.643 -12.690
 1475    H    LEU  42           H        LEU  42  11.146  -0.822  -9.114
 1476    HA   LEU  42           HA       LEU  42   9.590   1.690  -8.901
 1477    HB2  LEU  42           HB2      LEU  42  10.973   0.239  -6.647
 1478    HB3  LEU  42           HB3      LEU  42  10.014   1.694  -6.511
 1479    HG   LEU  42           HG       LEU  42   8.089   0.184  -7.442
 1480   HD11  LEU  42          HD11      LEU  42   9.534  -1.738  -7.930
 1481   HD12  LEU  42          HD12      LEU  42   9.922  -1.864  -6.213
 1482   HD13  LEU  42          HD13      LEU  42   8.267  -2.132  -6.767
 1483   HD21  LEU  42          HD21      LEU  42   8.143   1.244  -5.243
 1484   HD22  LEU  42          HD22      LEU  42   7.491  -0.390  -5.146
 1485   HD23  LEU  42          HD23      LEU  42   9.147  -0.071  -4.632
 1486    HA   PRO  43           HA       PRO  43  14.323   2.326  -9.114
 1487    HB2  PRO  43           HB2      PRO  43  14.192   3.437 -11.763
 1488    HB3  PRO  43           HB3      PRO  43  15.087   2.025 -11.215
 1489    HG2  PRO  43           HG2      PRO  43  12.940   1.894 -12.909
 1490    HG3  PRO  43           HG3      PRO  43  13.425   0.576 -11.827
 1491    HD2  PRO  43           HD2      PRO  43  11.243   2.595 -11.502
 1492    HD3  PRO  43           HD3      PRO  43  11.256   0.868 -11.084
 1493    H    SER  44           H        SER  44  11.655   4.269 -10.251
 1494    HA   SER  44           HA       SER  44  12.933   6.799 -10.030
 1495    HB2  SER  44           HB2      SER  44  10.490   7.598  -9.946
 1496    HB3  SER  44           HB3      SER  44  11.002   6.729 -11.395
 1497    HG   SER  44           HG       SER  44   9.606   5.232 -10.950
 1498    H    PHE  45           H        PHE  45  11.098   4.739  -7.872
 1499    HA   PHE  45           HA       PHE  45  10.924   6.710  -5.776
 1500    HB2  PHE  45           HB2      PHE  45  10.400   3.751  -5.482
 1501    HB3  PHE  45           HB3      PHE  45   9.733   5.074  -4.534
 1502    HD1  PHE  45           HD1      PHE  45   8.380   6.846  -6.080
 1503    HD2  PHE  45           HD2      PHE  45   9.013   2.728  -6.930
 1504    HE1  PHE  45           HE1      PHE  45   6.378   6.830  -7.506
 1505    HE2  PHE  45           HE2      PHE  45   7.020   2.707  -8.362
 1506    HZ   PHE  45           HZ       PHE  45   5.699   4.754  -8.651
 1507    H    LEU  46           H        LEU  46  13.590   5.700  -6.809
 1508    HA   LEU  46           HA       LEU  46  14.626   4.676  -4.274
 1509    HB2  LEU  46           HB2      LEU  46  16.059   4.981  -6.918
 1510    HB3  LEU  46           HB3      LEU  46  16.695   4.205  -5.479
 1511    HG   LEU  46           HG       LEU  46  14.493   3.231  -7.287
 1512   HD11  LEU  46          HD11      LEU  46  17.115   2.042  -6.403
 1513   HD12  LEU  46          HD12      LEU  46  15.913   1.223  -7.406
 1514   HD13  LEU  46          HD13      LEU  46  16.724   2.673  -8.003
 1515   HD21  LEU  46          HD21      LEU  46  14.260   1.328  -5.700
 1516   HD22  LEU  46          HD22      LEU  46  15.226   2.241  -4.545
 1517   HD23  LEU  46          HD23      LEU  46  13.664   2.866  -5.076
 1518    H    GLY  47           H        GLY  47  14.711   7.423  -6.400
 1519    HA2  GLY  47           HA2      GLY  47  15.494   9.558  -6.182
 1520    HA3  GLY  47           HA3      GLY  47  15.427   9.281  -4.456
 1521    H    LYS  48           H        LYS  48  17.483   7.161  -4.545
 1522    HA   LYS  48           HA       LYS  48  19.866   8.778  -5.172
 1523    HB2  LYS  48           HB2      LYS  48  19.320   8.927  -2.769
 1524    HB3  LYS  48           HB3      LYS  48  19.345   7.175  -2.654
 1525    HG2  LYS  48           HG2      LYS  48  21.757   7.275  -3.368
 1526    HG3  LYS  48           HG3      LYS  48  21.660   9.025  -3.153
 1527    HD2  LYS  48           HD2      LYS  48  20.996   8.691  -0.816
 1528    HD3  LYS  48           HD3      LYS  48  21.110   6.945  -1.036
 1529    HE2  LYS  48           HE2      LYS  48  23.365   8.932  -1.273
 1530    HE3  LYS  48           HE3      LYS  48  23.105   7.799   0.050
 1531    HZ1  LYS  48           HZ1      LYS  48  23.685   7.070  -2.772
 1532    HZ2  LYS  48           HZ2      LYS  48  23.408   5.966  -1.515
 1533    HZ3  LYS  48           HZ3      LYS  48  24.770   6.973  -1.478
 1534    H    ARG  49           H        ARG  49  18.230   5.885  -5.499
 1535    HA   ARG  49           HA       ARG  49  18.702   3.828  -6.312
 1536    HB2  ARG  49           HB2      ARG  49  20.218   4.889  -7.926
 1537    HB3  ARG  49           HB3      ARG  49  21.514   4.871  -6.737
 1538    HG2  ARG  49           HG2      ARG  49  21.836   3.072  -8.293
 1539    HG3  ARG  49           HG3      ARG  49  21.411   2.402  -6.718
 1540    HD2  ARG  49           HD2      ARG  49  20.055   1.157  -8.088
 1541    HD3  ARG  49           HD3      ARG  49  18.975   2.488  -7.681
 1542    HE   ARG  49           HE       ARG  49  20.294   2.008 -10.254
 1543   HH11  ARG  49          HH12      ARG  49  18.167   4.030  -8.322
 1544   HH12  ARG  49          HH11      ARG  49  17.457   4.811  -9.699
 1545   HH21  ARG  49          HH22      ARG  49  19.329   3.026 -12.062
 1546   HH22  ARG  49          HH21      ARG  49  18.113   4.246 -11.805
 1547    H    THR  50           H        THR  50  19.062   1.950  -5.315
 1548    HA   THR  50           HA       THR  50  19.710   1.958  -2.592
 1549    HB   THR  50           HB       THR  50  19.645  -0.561  -2.868
 1550    HG1  THR  50           HG1      THR  50  20.291  -0.531  -5.110
 1551   HG21  THR  50          HG21      THR  50  17.235  -0.600  -3.312
 1552   HG22  THR  50          HG22      THR  50  17.324   1.034  -3.968
 1553   HG23  THR  50          HG23      THR  50  17.661   0.749  -2.259
 1554    H    ASP  51           H        ASP  51  21.560   1.699  -1.524
 1555    HA   ASP  51           HA       ASP  51  23.951   0.838  -3.011
 1556    HB2  ASP  51           HB2      ASP  51  23.853   2.266  -0.343
 1557    HB3  ASP  51           HB3      ASP  51  25.280   1.950  -1.320
 1558    H    GLU  52           H        GLU  52  25.591   0.031  -1.040
 1559    HA   GLU  52           HA       GLU  52  24.331  -2.413  -0.108
 1560    HB2  GLU  52           HB2      GLU  52  26.601  -2.433  -1.141
 1561    HB3  GLU  52           HB3      GLU  52  27.191  -1.481   0.216
 1562    HG2  GLU  52           HG2      GLU  52  27.752  -3.786   0.548
 1563    HG3  GLU  52           HG3      GLU  52  26.546  -3.294   1.738
 1564    H    ALA  53           H        ALA  53  26.222   0.250   1.307
 1565    HA   ALA  53           HA       ALA  53  25.633  -0.469   4.003
 1566    HB1  ALA  53           HB1      ALA  53  26.653   1.667   4.589
 1567    HB2  ALA  53           HB2      ALA  53  27.628   0.816   3.391
 1568    HB3  ALA  53           HB3      ALA  53  26.606   2.167   2.897
 1569    H    ALA  54           H        ALA  54  23.876   1.108   1.587
 1570    HA   ALA  54           HA       ALA  54  22.180   2.632   3.363
 1571    HB1  ALA  54           HB1      ALA  54  21.921   1.982   0.437
 1572    HB2  ALA  54           HB2      ALA  54  20.883   3.100   1.326
 1573    HB3  ALA  54           HB3      ALA  54  22.603   3.460   1.121
 1574    H    PHE  55           H        PHE  55  22.130  -0.447   1.676
 1575    HA   PHE  55           HA       PHE  55  19.330  -0.840   2.064
 1576    HB2  PHE  55           HB2      PHE  55  21.047  -1.922   0.320
 1577    HB3  PHE  55           HB3      PHE  55  21.024  -3.207   1.528
 1578    HD1  PHE  55           HD1      PHE  55  18.703  -4.023   2.302
 1579    HD2  PHE  55           HD2      PHE  55  19.371  -1.788  -1.250
 1580    HE1  PHE  55           HE1      PHE  55  16.541  -4.792   1.419
 1581    HE2  PHE  55           HE2      PHE  55  17.219  -2.559  -2.144
 1582    HZ   PHE  55           HZ       PHE  55  15.795  -4.058  -0.806
 1583    H    GLN  56           H        GLN  56  22.189  -1.714   3.897
 1584    HA   GLN  56           HA       GLN  56  20.941  -3.554   5.635
 1585    HB2  GLN  56           HB2      GLN  56  22.751  -3.021   7.221
 1586    HB3  GLN  56           HB3      GLN  56  23.364  -3.303   5.597
 1587    HG2  GLN  56           HG2      GLN  56  23.478  -0.860   5.264
 1588    HG3  GLN  56           HG3      GLN  56  22.982  -0.642   6.940
 1589   HE21  GLN  56          HE21      GLN  56  24.505  -2.960   7.856
 1590   HE22  GLN  56          HE22      GLN  56  26.160  -2.468   7.851
 1591    H    LYS  57           H        LYS  57  20.990  -0.077   5.467
 1592    HA   LYS  57           HA       LYS  57  19.468   0.343   7.860
 1593    HB2  LYS  57           HB2      LYS  57  19.959   2.094   5.443
 1594    HB3  LYS  57           HB3      LYS  57  19.066   2.615   6.862
 1595    HG2  LYS  57           HG2      LYS  57  21.054   2.345   8.234
 1596    HG3  LYS  57           HG3      LYS  57  21.957   1.772   6.826
 1597    HD2  LYS  57           HD2      LYS  57  21.747   3.889   5.739
 1598    HD3  LYS  57           HD3      LYS  57  20.603   4.474   6.957
 1599    HE2  LYS  57           HE2      LYS  57  23.508   3.780   7.434
 1600    HE3  LYS  57           HE3      LYS  57  22.854   5.408   7.267
 1601    HZ1  LYS  57           HZ1      LYS  57  23.081   4.956   9.566
 1602    HZ2  LYS  57           HZ2      LYS  57  22.304   3.457   9.433
 1603    HZ3  LYS  57           HZ3      LYS  57  21.418   4.889   9.226
 1604    H    LEU  58           H        LEU  58  18.798   0.272   4.385
 1605    HA   LEU  58           HA       LEU  58  16.126   0.940   4.388
 1606    HB2  LEU  58           HB2      LEU  58  17.483   0.709   2.352
 1607    HB3  LEU  58           HB3      LEU  58  17.479  -1.036   2.556
 1608    HG   LEU  58           HG       LEU  58  15.012  -1.031   2.324
 1609   HD11  LEU  58          HD11      LEU  58  13.815   0.888   1.761
 1610   HD12  LEU  58          HD12      LEU  58  14.856   1.382   3.094
 1611   HD13  LEU  58          HD13      LEU  58  15.276   1.818   1.434
 1612   HD21  LEU  58          HD21      LEU  58  16.539  -1.358   0.370
 1613   HD22  LEU  58          HD22      LEU  58  14.936  -0.731  -0.028
 1614   HD23  LEU  58          HD23      LEU  58  16.326   0.355   0.005
 1615    H    MET  59           H        MET  59  17.421  -2.374   4.346
 1616    HA   MET  59           HA       MET  59  15.065  -3.767   4.520
 1617    HB2  MET  59           HB2      MET  59  17.016  -5.030   4.201
 1618    HB3  MET  59           HB3      MET  59  17.795  -4.352   5.625
 1619    HG2  MET  59           HG2      MET  59  17.046  -6.729   5.830
 1620    HG3  MET  59           HG3      MET  59  16.460  -5.640   7.086
 1621    HE1  MET  59           HE1      MET  59  15.216  -5.968   3.397
 1622    HE2  MET  59           HE2      MET  59  15.485  -7.664   3.828
 1623    HE3  MET  59           HE3      MET  59  13.842  -7.067   3.565
 1624    H    SER  60           H        SER  60  16.960  -2.504   7.262
 1625    HA   SER  60           HA       SER  60  15.027  -3.510   9.132
 1626    HB2  SER  60           HB2      SER  60  16.487  -2.281  10.799
 1627    HB3  SER  60           HB3      SER  60  17.281  -3.542   9.856
 1628    HG   SER  60           HG       SER  60  18.482  -2.085   8.882
 1629    H    ASN  61           H        ASN  61  15.141  -0.830   7.148
 1630    HA   ASN  61           HA       ASN  61  13.544   0.848   8.915
 1631    HB2  ASN  61           HB2      ASN  61  14.787   1.250   6.227
 1632    HB3  ASN  61           HB3      ASN  61  13.430   2.261   6.715
 1633   HD21  ASN  61          HD21      ASN  61  14.652   4.123   6.788
 1634   HD22  ASN  61          HD22      ASN  61  15.827   4.409   8.027
 1635    H    LEU  62           H        LEU  62  13.178  -1.644   6.675
 1636    HA   LEU  62           HA       LEU  62  10.306  -1.081   6.547
 1637    HB2  LEU  62           HB2      LEU  62  12.121  -2.954   5.078
 1638    HB3  LEU  62           HB3      LEU  62  10.412  -3.323   5.199
 1639    HG   LEU  62           HG       LEU  62  10.771  -2.249   3.116
 1640   HD11  LEU  62          HD11      LEU  62   8.722  -1.617   4.191
 1641   HD12  LEU  62          HD12      LEU  62   9.564  -0.366   5.120
 1642   HD13  LEU  62          HD13      LEU  62   9.390  -0.202   3.376
 1643   HD21  LEU  62          HD21      LEU  62  12.103  -0.015   4.629
 1644   HD22  LEU  62          HD22      LEU  62  12.902  -1.181   3.570
 1645   HD23  LEU  62          HD23      LEU  62  11.749  -0.028   2.899
 1646    H    ASP  63           H        ASP  63  12.319  -3.948   7.037
 1647    HA   ASP  63           HA       ASP  63  10.368  -5.340   8.522
 1648    HB2  ASP  63           HB2      ASP  63  12.062  -6.551   7.311
 1649    HB3  ASP  63           HB3      ASP  63  13.343  -5.764   8.224
 1650    H    SER  64           H        SER  64   9.649  -4.650  10.390
 1651    HA   SER  64           HA       SER  64  11.358  -3.236  12.241
 1652    HB2  SER  64           HB2      SER  64   8.470  -4.096  12.512
 1653    HB3  SER  64           HB3      SER  64   9.315  -2.953  13.555
 1654    HG   SER  64           HG       SER  64   8.075  -2.501  11.222
 1655    H    ASN  65           H        ASN  65  10.776  -6.448  11.581
 1656    HA   ASN  65           HA       ASN  65  10.986  -7.406  14.308
 1657    HB2  ASN  65           HB2      ASN  65  11.074  -8.842  11.649
 1658    HB3  ASN  65           HB3      ASN  65  11.222  -9.656  13.203
 1659   HD21  ASN  65          HD21      ASN  65   9.217  -9.912  11.102
 1660   HD22  ASN  65          HD22      ASN  65   7.690  -9.591  11.866
 1661    H    ARG  66           H        ARG  66  13.042  -6.293  11.897
 1662    HA   ARG  66           HA       ARG  66  15.288  -6.135  11.664
 1663    HB2  ARG  66           HB2      ARG  66  15.299  -6.904  14.590
 1664    HB3  ARG  66           HB3      ARG  66  16.667  -6.238  13.709
 1665    HG2  ARG  66           HG2      ARG  66  15.288  -4.205  13.260
 1666    HG3  ARG  66           HG3      ARG  66  14.063  -4.871  14.344
 1667    HD2  ARG  66           HD2      ARG  66  15.430  -3.325  15.578
 1668    HD3  ARG  66           HD3      ARG  66  15.772  -4.962  16.139
 1669    HE   ARG  66           HE       ARG  66  17.530  -3.857  14.088
 1670   HH11  ARG  66          HH12      ARG  66  17.024  -4.617  17.477
 1671   HH12  ARG  66          HH11      ARG  66  18.714  -4.533  17.873
 1672   HH21  ARG  66          HH22      ARG  66  19.734  -3.744  14.605
 1673   HH22  ARG  66          HH21      ARG  66  20.267  -4.057  16.234
 1674    H    ASP  67           H        ASP  67  14.156  -8.493  10.803
 1675    HA   ASP  67           HA       ASP  67  15.989 -10.609  11.742
 1676    HB2  ASP  67           HB2      ASP  67  13.343 -10.817  11.645
 1677    HB3  ASP  67           HB3      ASP  67  13.661 -11.177   9.949
 1678    H    ASN  68           H        ASN  68  15.440  -8.378   9.372
 1679    HA   ASN  68           HA       ASN  68  16.783  -7.773   7.641
 1680    HB2  ASN  68           HB2      ASN  68  18.106 -10.446   8.099
 1681    HB3  ASN  68           HB3      ASN  68  18.562  -9.369   6.785
 1682   HD21  ASN  68          HD21      ASN  68  17.601  -8.338  10.013
 1683   HD22  ASN  68          HD22      ASN  68  19.146  -7.708  10.464
 1684    H    GLU  69           H        GLU  69  14.287  -9.494   7.629
 1685    HA   GLU  69           HA       GLU  69  14.085  -9.527   4.787
 1686    HB2  GLU  69           HB2      GLU  69  13.030 -11.928   4.961
 1687    HB3  GLU  69           HB3      GLU  69  14.755 -11.707   4.715
 1688    HG2  GLU  69           HG2      GLU  69  14.678 -11.770   7.395
 1689    HG3  GLU  69           HG3      GLU  69  13.290 -12.793   7.019
 1690    H    VAL  70           H        VAL  70  12.246  -8.789   4.225
 1691    HA   VAL  70           HA       VAL  70  10.377  -7.979   6.257
 1692    HB   VAL  70           HB       VAL  70  10.821  -7.348   3.360
 1693   HG11  VAL  70          HG11      VAL  70   8.893  -5.846   3.389
 1694   HG12  VAL  70          HG12      VAL  70   8.408  -7.533   3.559
 1695   HG13  VAL  70          HG13      VAL  70   8.431  -6.475   4.970
 1696   HG21  VAL  70          HG21      VAL  70  11.060  -5.089   4.217
 1697   HG22  VAL  70          HG22      VAL  70  10.651  -5.653   5.839
 1698   HG23  VAL  70          HG23      VAL  70  12.137  -6.203   5.061
 1699    H    ASP  71           H        ASP  71   8.659  -9.119   6.815
 1700    HA   ASP  71           HA       ASP  71   7.681 -11.271   5.167
 1701    HB2  ASP  71           HB2      ASP  71   6.992 -10.196   7.893
 1702    HB3  ASP  71           HB3      ASP  71   5.892 -11.319   7.102
 1703    H    PHE  72           H        PHE  72   4.936 -11.245   5.472
 1704    HA   PHE  72           HA       PHE  72   4.295  -9.878   3.145
 1705    HB2  PHE  72           HB2      PHE  72   3.175 -11.926   4.303
 1706    HB3  PHE  72           HB3      PHE  72   2.138 -10.708   5.039
 1707    HD1  PHE  72           HD1      PHE  72   2.883  -9.206   2.097
 1708    HD2  PHE  72           HD2      PHE  72   0.765 -12.608   3.529
 1709    HE1  PHE  72           HE1      PHE  72   1.506  -9.196   0.060
 1710    HE2  PHE  72           HE2      PHE  72  -0.619 -12.601   1.498
 1711    HZ   PHE  72           HZ       PHE  72  -0.247 -10.896  -0.240
 1712    H    GLN  73           H        GLN  73   2.991  -9.060   6.441
 1713    HA   GLN  73           HA       GLN  73   1.633  -6.775   5.443
 1714    HB2  GLN  73           HB2      GLN  73   1.050  -7.822   7.629
 1715    HB3  GLN  73           HB3      GLN  73   2.535  -7.189   8.308
 1716    HG2  GLN  73           HG2      GLN  73   1.794  -4.920   7.864
 1717    HG3  GLN  73           HG3      GLN  73   0.279  -5.553   7.222
 1718   HE21  GLN  73          HE21      GLN  73   1.003  -3.848   9.571
 1719   HE22  GLN  73          HE22      GLN  73   0.208  -4.598  10.914
 1720    H    GLU  74           H        GLU  74   4.884  -7.260   6.643
 1721    HA   GLU  74           HA       GLU  74   5.597  -4.526   6.821
 1722    HB2  GLU  74           HB2      GLU  74   6.818  -6.716   7.652
 1723    HB3  GLU  74           HB3      GLU  74   7.602  -6.612   6.080
 1724    HG2  GLU  74           HG2      GLU  74   9.048  -5.492   7.506
 1725    HG3  GLU  74           HG3      GLU  74   8.145  -4.189   6.717
 1726    H    TYR  75           H        TYR  75   5.597  -6.908   4.261
 1727    HA   TYR  75           HA       TYR  75   6.988  -5.421   2.317
 1728    HB2  TYR  75           HB2      TYR  75   6.555  -7.829   2.066
 1729    HB3  TYR  75           HB3      TYR  75   4.825  -7.517   1.955
 1730    HD1  TYR  75           HD1      TYR  75   3.858  -6.591  -0.075
 1731    HD2  TYR  75           HD2      TYR  75   8.033  -7.316   0.238
 1732    HE1  TYR  75           HE1      TYR  75   4.079  -6.250  -2.505
 1733    HE2  TYR  75           HE2      TYR  75   8.272  -6.989  -2.198
 1734    HH   TYR  75           HH       TYR  75   6.883  -7.107  -4.219
 1735    H    CYS  76           H        CYS  76   3.679  -5.442   3.399
 1736    HA   CYS  76           HA       CYS  76   2.828  -3.884   1.136
 1737    HB2  CYS  76           HB2      CYS  76   1.249  -4.769   3.551
 1738    HB3  CYS  76           HB3      CYS  76   0.584  -4.145   2.041
 1739    HG   CYS  76           HG       CYS  76   2.299  -7.094   2.385
 1740    H    VAL  77           H        VAL  77   3.235  -3.382   4.643
 1741    HA   VAL  77           HA       VAL  77   2.418  -0.678   4.637
 1742    HB   VAL  77           HB       VAL  77   2.800  -1.878   6.748
 1743   HG11  VAL  77          HG11      VAL  77   4.607  -3.274   6.158
 1744   HG12  VAL  77          HG12      VAL  77   5.648  -1.888   5.813
 1745   HG13  VAL  77          HG13      VAL  77   5.166  -2.240   7.478
 1746   HG21  VAL  77          HG21      VAL  77   2.965   0.576   6.815
 1747   HG22  VAL  77          HG22      VAL  77   4.061  -0.168   7.978
 1748   HG23  VAL  77          HG23      VAL  77   4.694   0.469   6.460
 1749    H    PHE  78           H        PHE  78   5.462  -2.280   3.907
 1750    HA   PHE  78           HA       PHE  78   7.171  -0.253   3.292
 1751    HB2  PHE  78           HB2      PHE  78   7.927  -2.449   2.916
 1752    HB3  PHE  78           HB3      PHE  78   6.534  -2.856   1.923
 1753    HD1  PHE  78           HD1      PHE  78   9.750  -1.132   2.023
 1754    HD2  PHE  78           HD2      PHE  78   6.506  -2.403  -0.420
 1755    HE1  PHE  78           HE1      PHE  78  11.087  -0.669  -0.003
 1756    HE2  PHE  78           HE2      PHE  78   7.825  -1.941  -2.445
 1757    HZ   PHE  78           HZ       PHE  78  10.128  -1.073  -2.232
 1758    H    LEU  79           H        LEU  79   4.587  -1.526   1.284
 1759    HA   LEU  79           HA       LEU  79   4.969   0.158  -0.894
 1760    HB2  LEU  79           HB2      LEU  79   2.735  -1.546   0.074
 1761    HB3  LEU  79           HB3      LEU  79   2.442  -0.440  -1.252
 1762    HG   LEU  79           HG       LEU  79   4.837  -1.926  -1.772
 1763   HD11  LEU  79          HD11      LEU  79   2.383  -3.529  -1.098
 1764   HD12  LEU  79          HD12      LEU  79   3.736  -4.134  -2.056
 1765   HD13  LEU  79          HD13      LEU  79   3.988  -3.665  -0.378
 1766   HD21  LEU  79          HD21      LEU  79   3.108  -0.694  -3.217
 1767   HD22  LEU  79          HD22      LEU  79   3.858  -2.191  -3.834
 1768   HD23  LEU  79          HD23      LEU  79   2.215  -2.227  -3.158
 1769    H    SER  80           H        SER  80   2.810   0.424   1.868
 1770    HA   SER  80           HA       SER  80   1.557   2.765   0.800
 1771    HB2  SER  80           HB2      SER  80   0.634   2.772   3.250
 1772    HB3  SER  80           HB3      SER  80   0.128   1.537   2.095
 1773    HG   SER  80           HG       SER  80   0.758   0.248   3.644
 1774    H    CYS  81           H        CYS  81   4.233   2.048   2.833
 1775    HA   CYS  81           HA       CYS  81   4.600   4.708   3.778
 1776    HB2  CYS  81           HB2      CYS  81   6.471   2.353   3.640
 1777    HB3  CYS  81           HB3      CYS  81   6.861   3.890   4.414
 1778    HG   CYS  81           HG       CYS  81   4.560   1.576   5.369
 1779    H    ILE  82           H        ILE  82   5.276   3.101   0.796
 1780    HA   ILE  82           HA       ILE  82   7.026   5.227  -0.083
 1781    HB   ILE  82           HB       ILE  82   5.565   3.113  -1.699
 1782   HG12  ILE  82          HG12      ILE  82   8.277   3.341  -0.488
 1783   HG13  ILE  82          HG13      ILE  82   7.263   1.921  -0.721
 1784   HG21  ILE  82          HG21      ILE  82   5.857   5.152  -3.014
 1785   HG22  ILE  82          HG22      ILE  82   7.574   5.189  -2.605
 1786   HG23  ILE  82          HG23      ILE  82   6.931   3.880  -3.598
 1787   HD11  ILE  82          HD11      ILE  82   7.817   2.333  -3.250
 1788   HD12  ILE  82          HD12      ILE  82   9.200   3.214  -2.582
 1789   HD13  ILE  82          HD13      ILE  82   8.961   1.499  -2.195
 1790    H    ALA  83           H        ALA  83   3.684   4.224  -0.741
 1791    HA   ALA  83           HA       ALA  83   2.977   6.390  -2.355
 1792    HB1  ALA  83           HB1      ALA  83   0.771   5.671  -2.145
 1793    HB2  ALA  83           HB2      ALA  83   1.742   4.206  -1.947
 1794    HB3  ALA  83           HB3      ALA  83   1.048   5.005  -0.533
 1795    H    MET  84           H        MET  84   2.420   5.936   1.126
 1796    HA   MET  84           HA       MET  84   1.306   8.523   1.523
 1797    HB2  MET  84           HB2      MET  84   0.785   6.657   2.961
 1798    HB3  MET  84           HB3      MET  84   2.463   6.570   3.465
 1799    HG2  MET  84           HG2      MET  84   2.175   8.924   4.348
 1800    HG3  MET  84           HG3      MET  84   0.439   8.684   4.098
 1801    HE1  MET  84           HE1      MET  84   2.253   5.583   4.492
 1802    HE2  MET  84           HE2      MET  84   3.494   6.550   5.344
 1803    HE3  MET  84           HE3      MET  84   2.551   5.305   6.234
 1804    H    MET  85           H        MET  85   4.520   7.317   1.355
 1805    HA   MET  85           HA       MET  85   5.705   9.635   2.552
 1806    HB2  MET  85           HB2      MET  85   6.790   7.397   2.369
 1807    HB3  MET  85           HB3      MET  85   6.979   7.719   0.638
 1808    HG2  MET  85           HG2      MET  85   7.939   9.996   1.784
 1809    HG3  MET  85           HG3      MET  85   8.467   8.755   2.907
 1810    HE1  MET  85           HE1      MET  85  10.490   6.645   1.884
 1811    HE2  MET  85           HE2      MET  85   8.718   6.495   1.739
 1812    HE3  MET  85           HE3      MET  85   9.766   6.188   0.327
 1813    H    CYS  86           H        CYS  86   4.460   8.692  -0.500
 1814    HA   CYS  86           HA       CYS  86   5.665  10.812  -2.018
 1815    HB2  CYS  86           HB2      CYS  86   5.048   8.676  -3.074
 1816    HB3  CYS  86           HB3      CYS  86   3.361   8.946  -2.654
 1817    HG   CYS  86           HG       CYS  86   5.221  10.645  -4.958
 1818    H    ASN  87           H        ASN  87   2.989  10.444   0.044
 1819    HA   ASN  87           HA       ASN  87   1.042  12.101  -0.945
 1820    HB2  ASN  87           HB2      ASN  87   0.904  10.761   1.159
 1821    HB3  ASN  87           HB3      ASN  87   1.907  11.972   1.953
 1822   HD21  ASN  87          HD21      ASN  87   0.269  12.415   3.438
 1823   HD22  ASN  87          HD22      ASN  87  -1.141  13.324   3.004
 1824    H    GLU  88           H        GLU  88   3.691  13.080   1.220
 1825    HA   GLU  88           HA       GLU  88   3.275  15.816   1.198
 1826    HB2  GLU  88           HB2      GLU  88   5.917  15.789   1.479
 1827    HB3  GLU  88           HB3      GLU  88   4.837  15.249   2.755
 1828    HG2  GLU  88           HG2      GLU  88   5.730  13.217   0.803
 1829    HG3  GLU  88           HG3      GLU  88   6.935  13.830   1.929
 1830    H    PHE  89           H        PHE  89   4.913  13.837  -1.208
 1831    HA   PHE  89           HA       PHE  89   6.029  16.138  -2.559
 1832    HB2  PHE  89           HB2      PHE  89   6.027  13.199  -3.265
 1833    HB3  PHE  89           HB3      PHE  89   6.875  14.443  -4.180
 1834    HD1  PHE  89           HD2      PHE  89   8.812  15.599  -3.202
 1835    HD2  PHE  89           HD1      PHE  89   6.886  12.374  -1.206
 1836    HE1  PHE  89           HE2      PHE  89  10.772  15.340  -1.738
 1837    HE2  PHE  89           HE1      PHE  89   8.843  12.107   0.263
 1838    HZ   PHE  89           HZ       PHE  89  10.788  13.592  -0.004
 1839    H    PHE  90           H        PHE  90   3.770  13.543  -3.496
 1840    HA   PHE  90           HA       PHE  90   3.387  14.638  -6.081
 1841    HB2  PHE  90           HB2      PHE  90   3.233  12.264  -5.721
 1842    HB3  PHE  90           HB3      PHE  90   1.891  12.467  -4.605
 1843    HD1  PHE  90           HD2      PHE  90   2.945  12.451  -8.097
 1844    HD2  PHE  90           HD1      PHE  90  -0.347  12.971  -5.449
 1845    HE1  PHE  90           HE2      PHE  90   1.391  12.221  -9.988
 1846    HE2  PHE  90           HE1      PHE  90  -1.906  12.742  -7.338
 1847    HZ   PHE  90           HZ       PHE  90  -1.036  12.368  -9.610
 1848    H    GLU  91           H        GLU  91   1.314  14.657  -3.166
 1849    HA   GLU  91           HA       GLU  91  -0.833  15.984  -4.501
 1850    HB2  GLU  91           HB2      GLU  91  -1.954  15.968  -2.508
 1851    HB3  GLU  91           HB3      GLU  91  -0.819  14.647  -2.247
 1852    HG2  GLU  91           HG2      GLU  91   0.430  15.840  -0.748
 1853    HG3  GLU  91           HG3      GLU  91  -0.061  17.400  -1.405
 1854    H    GLY  92           H        GLY  92   2.126  16.976  -3.075
 1855    HA2  GLY  92           HA2      GLY  92   3.226  18.987  -3.177
 1856    HA3  GLY  92           HA3      GLY  92   1.929  19.574  -4.204
 1857    H    PHE  93           H        PHE  93   1.185  18.337  -1.043
 1858    HA   PHE  93           HA       PHE  93   1.028  21.064   0.001
 1859    HB2  PHE  93           HB2      PHE  93  -1.152  19.129  -0.311
 1860    HB3  PHE  93           HB3      PHE  93  -1.122  20.027   1.199
 1861    HD1  PHE  93           HD1      PHE  93  -1.270  22.497   1.148
 1862    HD2  PHE  93           HD2      PHE  93  -1.789  20.139  -2.355
 1863    HE1  PHE  93           HE1      PHE  93  -2.334  24.407   0.025
 1864    HE2  PHE  93           HE2      PHE  93  -2.852  22.047  -3.486
 1865    HZ   PHE  93           HZ       PHE  93  -3.126  24.186  -2.296
 1866    HA   PRO  94           HA       PRO  94   2.657  18.956   3.586
 1867    HB2  PRO  94           HB2      PRO  94   3.746  21.135   4.716
 1868    HB3  PRO  94           HB3      PRO  94   4.465  20.378   3.292
 1869    HG2  PRO  94           HG2      PRO  94   2.978  22.916   3.522
 1870    HG3  PRO  94           HG3      PRO  94   4.162  22.413   2.306
 1871    HD2  PRO  94           HD2      PRO  94   1.294  22.378   2.117
 1872    HD3  PRO  94           HD3      PRO  94   2.479  21.884   0.893
 1873    H    ASP  95           H        ASP  95   0.042  19.089   3.708
 1874    HA   ASP  95           HA       ASP  95  -0.998  21.015   5.565
 1875    HB2  ASP  95           HB2      ASP  95  -3.097  19.955   5.276
 1876    HB3  ASP  95           HB3      ASP  95  -2.307  19.839   3.708
 1877    H    LYS  96           H        LYS  96   0.244  17.768   5.746
 1878    HA   LYS  96           HA       LYS  96  -0.676  17.389   8.467
 1879    HB2  LYS  96           HB2      LYS  96   1.095  15.642   6.752
 1880    HB3  LYS  96           HB3      LYS  96   0.437  15.203   8.317
 1881    HG2  LYS  96           HG2      LYS  96  -1.135  15.723   5.805
 1882    HG3  LYS  96           HG3      LYS  96  -0.814  14.151   6.540
 1883    HD2  LYS  96           HD2      LYS  96  -1.998  15.011   8.596
 1884    HD3  LYS  96           HD3      LYS  96  -2.499  16.397   7.626
 1885    HE2  LYS  96           HE2      LYS  96  -3.135  13.497   7.107
 1886    HE3  LYS  96           HE3      LYS  96  -4.257  14.743   7.648
 1887    HZ1  LYS  96           HZ1      LYS  96  -2.900  14.605   5.006
 1888    HZ2  LYS  96           HZ2      LYS  96  -3.851  15.907   5.521
 1889    HZ3  LYS  96           HZ3      LYS  96  -4.550  14.367   5.319
 1890    H    GLN  97           H        GLN  97   0.387  18.404  10.036
 1891    HA   GLN  97           HA       GLN  97   3.290  18.582   9.946
 1892    HB2  GLN  97           HB2      GLN  97   1.312  19.528  12.023
 1893    HB3  GLN  97           HB3      GLN  97   3.052  19.728  12.151
 1894    HG2  GLN  97           HG2      GLN  97   1.227  20.942  10.096
 1895    HG3  GLN  97           HG3      GLN  97   2.087  21.775  11.389
 1896   HE21  GLN  97          HE21      GLN  97   4.360  21.995  11.235
 1897   HE22  GLN  97          HE22      GLN  97   5.152  21.919   9.695
 1898    HA   PRO  98           HA       PRO  98   2.533  15.558  13.758
 1899    HB2  PRO  98           HB2      PRO  98   0.261  14.026  13.403
 1900    HB3  PRO  98           HB3      PRO  98   0.384  15.407  14.498
 1901    HG2  PRO  98           HG2      PRO  98  -0.733  15.276  11.727
 1902    HG3  PRO  98           HG3      PRO  98  -1.355  16.137  13.149
 1903    HD2  PRO  98           HD2      PRO  98  -0.040  17.436  11.225
 1904    HD3  PRO  98           HD3      PRO  98   0.187  17.861  12.934
 1905    H    ARG  99           H        ARG  99   3.027  13.331  13.777
 1906    HA   ARG  99           HA       ARG  99   4.009  11.479  12.962
 1907    HB2  ARG  99           HB2      ARG  99   2.027  11.927  10.737
 1908    HB3  ARG  99           HB3      ARG  99   3.114  10.543  10.773
 1909    HG2  ARG  99           HG2      ARG  99   2.160   9.771  12.834
 1910    HG3  ARG  99           HG3      ARG  99   1.178  11.229  12.974
 1911    HD2  ARG  99           HD2      ARG  99  -0.168  10.607  11.131
 1912    HD3  ARG  99           HD3      ARG  99   0.947   9.327  10.656
 1913    HE   ARG  99           HE       ARG  99   0.182   8.597  13.152
 1914   HH11  ARG  99          HH12      ARG  99  -1.650   9.505  10.296
 1915   HH12  ARG  99          HH11      ARG  99  -2.960   8.415  10.649
 1916   HH21  ARG  99          HH22      ARG  99  -1.538   7.140  13.578
 1917   HH22  ARG  99          HH21      ARG  99  -2.897   7.087  12.483
 1918    H    LYS 100           H        LYS 100   3.636  12.685   9.660
 1919    HA   LYS 100           HA       LYS 100   6.013  14.144   9.510
 1920    HB2  LYS 100           HB2      LYS 100   6.721  11.588   9.897
 1921    HB3  LYS 100           HB3      LYS 100   6.531  11.556   8.149
 1922    HG2  LYS 100           HG2      LYS 100   8.084  13.502   8.017
 1923    HG3  LYS 100           HG3      LYS 100   8.363  13.325   9.750
 1924    HD2  LYS 100           HD2      LYS 100   8.996  10.912   9.232
 1925    HD3  LYS 100           HD3      LYS 100   9.043  11.407   7.539
 1926    HE2  LYS 100           HE2      LYS 100  11.262  11.571   8.333
 1927    HE3  LYS 100           HE3      LYS 100  10.651  13.223   8.242
 1928    HZ1  LYS 100           HZ1      LYS 100  10.284  13.223  10.601
 1929    HZ2  LYS 100           HZ2      LYS 100  11.887  12.748  10.303
 1930    HZ3  LYS 100           HZ3      LYS 100  10.724  11.589  10.719
 1931    H    LYS 101           H        LYS 101   6.167  15.170   7.619
 1932    HA   LYS 101           HA       LYS 101   5.280  14.128   5.130
 1933    HB2  LYS 101           HB2      LYS 101   3.069  14.684   5.868
 1934    HB3  LYS 101           HB3      LYS 101   3.599  16.243   6.484
 1935    HG2  LYS 101           HG2      LYS 101   4.043  16.990   4.192
 1936    HG3  LYS 101           HG3      LYS 101   3.491  15.430   3.584
 1937    HD2  LYS 101           HD2      LYS 101   1.654  16.878   5.391
 1938    HD3  LYS 101           HD3      LYS 101   1.902  17.577   3.792
 1939    HE2  LYS 101           HE2      LYS 101   1.245  14.673   4.135
 1940    HE3  LYS 101           HE3      LYS 101  -0.020  15.899   4.115
 1941    HZ1  LYS 101           HZ1      LYS 101   0.143  15.210   1.916
 1942    HZ2  LYS 101           HZ2      LYS 101   1.836  15.142   1.947
 1943    HZ3  LYS 101           HZ3      LYS 101   1.051  16.641   1.941
  Start of MODEL   16
    1    H1   GLN1897           H1       GLN1897 -20.168 -10.929   3.225
    2    H2   GLN1897           H2       GLN1897 -21.332 -11.135   2.008
    3    H3   GLN1897           H3       GLN1897 -21.397  -9.777   3.018
    4    HA   GLN1897           HA       GLN1897 -19.214 -10.389   1.119
    5    HB2  GLN1897           HB2      GLN1897 -21.274  -9.786  -0.058
    6    HB3  GLN1897           HB3      GLN1897 -21.443  -8.352   0.947
    7    HG2  GLN1897           HG2      GLN1897 -20.542  -7.798  -1.245
    8    HG3  GLN1897           HG3      GLN1897 -19.378  -7.446   0.033
    9   HE21  GLN1897          HE21      GLN1897 -17.598  -7.584  -1.313
   10   HE22  GLN1897          HE22      GLN1897 -17.052  -9.079  -1.979
   11    H    ARG1898           H        ARG1898 -17.393  -9.582   1.868
   12    HA   ARG1898           HA       ARG1898 -16.816  -6.992   2.173
   13    HB2  ARG1898           HB2      ARG1898 -18.245  -6.940   4.173
   14    HB3  ARG1898           HB3      ARG1898 -17.249  -8.186   4.909
   15    HG2  ARG1898           HG2      ARG1898 -15.415  -6.777   5.135
   16    HG3  ARG1898           HG3      ARG1898 -16.029  -5.633   3.945
   17    HD2  ARG1898           HD2      ARG1898 -16.136  -4.813   6.260
   18    HD3  ARG1898           HD3      ARG1898 -17.712  -4.867   5.464
   19    HE   ARG1898           HE       ARG1898 -16.797  -6.900   7.417
   20   HH11  ARG1898          HH12      ARG1898 -19.292  -4.846   6.051
   21   HH12  ARG1898          HH11      ARG1898 -20.524  -5.386   7.150
   22   HH21  ARG1898          HH22      ARG1898 -18.404  -7.617   8.849
   23   HH22  ARG1898          HH21      ARG1898 -20.025  -7.003   8.719
   24    H    GLU1899           H        GLU1899 -15.273  -8.113   0.956
   25    HA   GLU1899           HA       GLU1899 -13.297  -9.791   2.091
   26    HB2  GLU1899           HB2      GLU1899 -11.878  -8.760   0.236
   27    HB3  GLU1899           HB3      GLU1899 -13.365  -9.551  -0.288
   28    HG2  GLU1899           HG2      GLU1899 -13.464  -6.664   0.353
   29    HG3  GLU1899           HG3      GLU1899 -12.692  -7.128  -1.148
   30    H    LEU1900           H        LEU1900 -14.070  -6.446   2.185
   31    HA   LEU1900           HA       LEU1900 -11.580  -5.438   3.054
   32    HB2  LEU1900           HB2      LEU1900 -14.367  -4.297   3.210
   33    HB3  LEU1900           HB3      LEU1900 -12.946  -3.457   3.772
   34    HG   LEU1900           HG       LEU1900 -13.389  -2.549   1.692
   35   HD11  LEU1900          HD11      LEU1900 -11.502  -3.199   0.285
   36   HD12  LEU1900          HD12      LEU1900 -11.055  -3.010   1.981
   37   HD13  LEU1900          HD13      LEU1900 -11.258  -4.623   1.298
   38   HD21  LEU1900          HD21      LEU1900 -13.780  -3.770  -0.327
   39   HD22  LEU1900          HD22      LEU1900 -13.653  -5.296   0.554
   40   HD23  LEU1900          HD23      LEU1900 -14.971  -4.181   0.912
   41    H    GLU1901           H        GLU1901 -13.624  -7.499   4.562
   42    HA   GLU1901           HA       GLU1901 -13.407  -6.615   7.264
   43    HB2  GLU1901           HB2      GLU1901 -14.997  -8.394   6.354
   44    HB3  GLU1901           HB3      GLU1901 -13.611  -9.475   6.302
   45    HG2  GLU1901           HG2      GLU1901 -14.832  -9.897   8.302
   46    HG3  GLU1901           HG3      GLU1901 -13.311  -9.114   8.734
   47    H    ASP1902           H        ASP1902 -11.883  -9.432   5.741
   48    HA   ASP1902           HA       ASP1902  -9.625  -9.513   7.422
   49    HB2  ASP1902           HB2      ASP1902 -10.075 -10.607   4.634
   50    HB3  ASP1902           HB3      ASP1902  -8.643 -10.956   5.594
   51    H    ALA1903           H        ALA1903 -10.404  -7.644   4.648
   52    HA   ALA1903           HA       ALA1903  -7.863  -7.039   3.631
   53    HB1  ALA1903           HB1      ALA1903 -10.000  -6.513   2.472
   54    HB2  ALA1903           HB2      ALA1903 -10.292  -5.243   3.675
   55    HB3  ALA1903           HB3      ALA1903  -8.909  -5.126   2.583
   56    H    THR1904           H        THR1904  -9.935  -4.889   5.542
   57    HA   THR1904           HA       THR1904  -7.533  -3.294   5.965
   58    HB   THR1904           HB       THR1904  -9.119  -1.387   6.208
   59    HG1  THR1904           HG1      THR1904 -11.262  -1.702   5.870
   60   HG21  THR1904          HG21      THR1904  -9.255  -3.047   3.688
   61   HG22  THR1904          HG22      THR1904  -8.051  -1.819   4.083
   62   HG23  THR1904          HG23      THR1904  -9.726  -1.352   3.793
   63    H    GLU1905           H        GLU1905  -9.421  -5.397   7.646
   64    HA   GLU1905           HA       GLU1905  -9.540  -4.400  10.240
   65    HB2  GLU1905           HB2      GLU1905 -10.191  -6.708   9.500
   66    HB3  GLU1905           HB3      GLU1905  -8.479  -7.086   9.366
   67    HG2  GLU1905           HG2      GLU1905  -9.174  -7.996  11.405
   68    HG3  GLU1905           HG3      GLU1905  -8.277  -6.539  11.802
   69    H    THR1906           H        THR1906  -6.941  -5.916   8.463
   70    HA   THR1906           HA       THR1906  -4.929  -5.445  10.412
   71    HB   THR1906           HB       THR1906  -4.177  -5.962   7.589
   72    HG1  THR1906           HG1      THR1906  -5.193  -7.887   7.483
   73   HG21  THR1906          HG21      THR1906  -2.780  -7.662   8.661
   74   HG22  THR1906          HG22      THR1906  -3.571  -7.347  10.207
   75   HG23  THR1906          HG23      THR1906  -2.570  -6.100   9.455
   76    H    ALA1907           H        ALA1907  -6.351  -3.582   7.861
   77    HA   ALA1907           HA       ALA1907  -4.253  -1.879   7.227
   78    HB1  ALA1907           HB1      ALA1907  -5.924  -0.145   6.699
   79    HB2  ALA1907           HB2      ALA1907  -6.352  -1.728   6.018
   80    HB3  ALA1907           HB3      ALA1907  -7.163  -1.137   7.473
   81    H    ASP1908           H        ASP1908  -6.490  -1.742   9.956
   82    HA   ASP1908           HA       ASP1908  -5.646   0.660  11.079
   83    HB2  ASP1908           HB2      ASP1908  -7.608  -0.646  11.855
   84    HB3  ASP1908           HB3      ASP1908  -6.513  -1.818  12.583
   85    H    ALA1909           H        ALA1909  -4.296  -2.604  11.466
   86    HA   ALA1909           HA       ALA1909  -2.319  -1.841  13.367
   87    HB1  ALA1909           HB1      ALA1909  -1.295  -3.992  12.930
   88    HB2  ALA1909           HB2      ALA1909  -3.044  -4.165  13.086
   89    HB3  ALA1909           HB3      ALA1909  -2.292  -4.199  11.489
   90    H    MET1910           H        MET1910  -1.927  -2.714   9.899
   91    HA   MET1910           HA       MET1910   0.583  -1.800   9.428
   92    HB2  MET1910           HB2      MET1910  -0.515  -2.817   7.632
   93    HB3  MET1910           HB3      MET1910  -1.880  -1.716   7.709
   94    HG2  MET1910           HG2      MET1910  -0.561   0.079   6.762
   95    HG3  MET1910           HG3      MET1910   0.902  -0.909   6.853
   96    HE1  MET1910           HE1      MET1910  -0.425  -3.752   6.027
   97    HE2  MET1910           HE2      MET1910  -0.033  -3.782   4.307
   98    HE3  MET1910           HE3      MET1910   1.166  -3.220   5.475
   99    H    ASN1911           H        ASN1911  -2.239   0.221   9.943
  100    HA   ASN1911           HA       ASN1911  -1.161   2.596   8.842
  101    HB2  ASN1911           HB2      ASN1911  -3.569   2.216   9.315
  102    HB3  ASN1911           HB3      ASN1911  -3.210   2.331  11.032
  103   HD21  ASN1911          HD21      ASN1911  -3.345   4.021   8.033
  104   HD22  ASN1911          HD22      ASN1911  -3.347   5.606   8.685
  105    H    ARG1912           H        ARG1912  -0.988   1.201  12.066
  106    HA   ARG1912           HA       ARG1912  -0.010   3.563  13.315
  107    HB2  ARG1912           HB2      ARG1912   0.524   0.758  14.256
  108    HB3  ARG1912           HB3      ARG1912   0.385   2.211  15.226
  109    HG2  ARG1912           HG2      ARG1912  -1.796   0.638  13.908
  110    HG3  ARG1912           HG3      ARG1912  -1.606   1.056  15.612
  111    HD2  ARG1912           HD2      ARG1912  -2.178   3.006  13.378
  112    HD3  ARG1912           HD3      ARG1912  -3.376   2.369  14.509
  113    HE   ARG1912           HE       ARG1912  -1.435   3.498  16.093
  114   HH11  ARG1912          HH12      ARG1912  -3.500   4.603  13.493
  115   HH12  ARG1912          HH11      ARG1912  -3.600   6.232  14.080
  116   HH21  ARG1912          HH22      ARG1912  -1.549   5.646  16.878
  117   HH22  ARG1912          HH21      ARG1912  -2.487   6.829  16.016
  118    H    GLU1913           H        GLU1913   1.476   0.643  12.042
  119    HA   GLU1913           HA       GLU1913   4.148   1.500  12.542
  120    HB2  GLU1913           HB2      GLU1913   4.748  -0.440  11.100
  121    HB3  GLU1913           HB3      GLU1913   3.680  -0.849  12.438
  122    HG2  GLU1913           HG2      GLU1913   1.769  -0.800  10.917
  123    HG3  GLU1913           HG3      GLU1913   2.856  -0.422   9.573
  124    H    VAL1914           H        VAL1914   1.936   1.673   9.809
  125    HA   VAL1914           HA       VAL1914   3.758   2.302   7.782
  126    HB   VAL1914           HB       VAL1914   1.125   1.857   7.758
  127   HG11  VAL1914          HG11      VAL1914  -0.103   3.885   7.115
  128   HG12  VAL1914          HG12      VAL1914   0.445   3.924   8.795
  129   HG13  VAL1914          HG13      VAL1914   1.306   4.850   7.559
  130   HG21  VAL1914          HG21      VAL1914   2.532   1.769   5.810
  131   HG22  VAL1914          HG22      VAL1914   1.044   2.650   5.460
  132   HG23  VAL1914          HG23      VAL1914   2.552   3.531   5.713
  133    H    SER1915           H        SER1915   2.225   4.256  10.220
  134    HA   SER1915           HA       SER1915   2.878   6.755   9.067
  135    HB2  SER1915           HB2      SER1915   1.031   6.239  10.671
  136    HB3  SER1915           HB3      SER1915   2.238   6.172  11.957
  137    HG   SER1915           HG       SER1915   1.025   8.316  10.953
  138    H    SER1916           H        SER1916   4.385   4.589  11.397
  139    HA   SER1916           HA       SER1916   6.588   6.385  11.908
  140    HB2  SER1916           HB2      SER1916   5.888   4.809  13.645
  141    HB3  SER1916           HB3      SER1916   6.225   3.449  12.573
  142    HG   SER1916           HG       SER1916   7.980   5.112  13.969
  143    H    LEU1917           H        LEU1917   5.935   3.618   9.839
  144    HA   LEU1917           HA       LEU1917   8.632   3.173   9.151
  145    HB2  LEU1917           HB2      LEU1917   6.800   1.455   9.091
  146    HB3  LEU1917           HB3      LEU1917   6.211   2.227   7.632
  147    HG   LEU1917           HG       LEU1917   8.987   1.052   7.882
  148   HD11  LEU1917          HD11      LEU1917   6.448  -0.160   6.831
  149   HD12  LEU1917          HD12      LEU1917   8.058  -0.745   6.403
  150   HD13  LEU1917          HD13      LEU1917   7.520  -0.788   8.085
  151   HD21  LEU1917          HD21      LEU1917   7.361   1.802   5.474
  152   HD22  LEU1917          HD22      LEU1917   8.652   2.782   6.170
  153   HD23  LEU1917          HD23      LEU1917   9.019   1.195   5.493
  154    H    LYS1918           H        LYS1918   5.954   4.799   7.357
  155    HA   LYS1918           HA       LYS1918   7.607   5.317   5.124
  156    HB2  LYS1918           HB2      LYS1918   5.826   6.303   4.167
  157    HB3  LYS1918           HB3      LYS1918   4.949   5.633   5.532
  158    HG2  LYS1918           HG2      LYS1918   6.140   8.376   5.557
  159    HG3  LYS1918           HG3      LYS1918   4.508   8.049   4.959
  160    HD2  LYS1918           HD2      LYS1918   3.777   7.240   7.076
  161    HD3  LYS1918           HD3      LYS1918   5.426   7.180   7.687
  162    HE2  LYS1918           HE2      LYS1918   4.509   9.067   8.677
  163    HE3  LYS1918           HE3      LYS1918   5.459   9.695   7.336
  164    HZ1  LYS1918           HZ1      LYS1918   3.156  10.653   7.652
  165    HZ2  LYS1918           HZ2      LYS1918   2.554   9.173   7.093
  166    HZ3  LYS1918           HZ3      LYS1918   3.535  10.122   6.089
  167    H    ASN1919           H        ASN1919   7.446   6.606   8.224
  168    HA   ASN1919           HA       ASN1919   8.759   9.100   7.708
  169    HB2  ASN1919           HB2      ASN1919   7.378   8.942   9.671
  170    HB3  ASN1919           HB3      ASN1919   8.252   7.526  10.239
  171   HD21  ASN1919          HD21      ASN1919  10.157   7.776  11.332
  172   HD22  ASN1919          HD22      ASN1919  10.779   9.321  11.808
  173    H    LYS1920           H        LYS1920   9.763   5.830   8.698
  174    HA   LYS1920           HA       LYS1920  12.488   6.639   9.046
  175    HB2  LYS1920           HB2      LYS1920  12.813   4.006   8.886
  176    HB3  LYS1920           HB3      LYS1920  12.245   4.796  10.342
  177    HG2  LYS1920           HG2      LYS1920   9.911   4.235   9.643
  178    HG3  LYS1920           HG3      LYS1920  10.575   3.258   8.319
  179    HD2  LYS1920           HD2      LYS1920  10.076   1.875  10.262
  180    HD3  LYS1920           HD3      LYS1920  11.813   1.916   9.962
  181    HE2  LYS1920           HE2      LYS1920  12.049   3.636  11.715
  182    HE3  LYS1920           HE3      LYS1920  10.319   3.516  12.038
  183    HZ1  LYS1920           HZ1      LYS1920  10.623   1.211  12.671
  184    HZ2  LYS1920           HZ2      LYS1920  11.625   2.213  13.607
  185    HZ3  LYS1920           HZ3      LYS1920  12.285   1.306  12.335
  186    H    LEU1921           H        LEU1921  10.567   5.432   6.412
  187    HA   LEU1921           HA       LEU1921  12.826   4.844   4.757
  188    HB2  LEU1921           HB2      LEU1921   9.967   5.351   3.944
  189    HB3  LEU1921           HB3      LEU1921  11.218   4.664   2.927
  190    HG   LEU1921           HG       LEU1921   9.802   3.424   5.257
  191   HD11  LEU1921          HD11      LEU1921   8.849   3.163   3.029
  192   HD12  LEU1921          HD12      LEU1921  10.369   2.472   2.462
  193   HD13  LEU1921          HD13      LEU1921   9.421   1.620   3.686
  194   HD21  LEU1921          HD21      LEU1921  12.184   3.058   5.654
  195   HD22  LEU1921          HD22      LEU1921  11.370   1.562   5.195
  196   HD23  LEU1921          HD23      LEU1921  12.361   2.423   4.019
  197    H    ARG1922           H        ARG1922  10.962   7.673   5.456
  198    HA   ARG1922           HA       ARG1922  12.199   9.088   3.214
  199    HB2  ARG1922           HB2      ARG1922   9.688   9.112   3.694
  200    HB3  ARG1922           HB3      ARG1922  10.071  10.140   5.062
  201    HG2  ARG1922           HG2      ARG1922   9.309  11.187   2.850
  202    HG3  ARG1922           HG3      ARG1922  10.648  11.929   3.726
  203    HD2  ARG1922           HD2      ARG1922  11.270   9.879   1.662
  204    HD3  ARG1922           HD3      ARG1922  10.731  11.464   1.115
  205    HE   ARG1922           HE       ARG1922  12.891  11.473   3.056
  206   HH11  ARG1922          HH12      ARG1922  11.988  11.527  -0.321
  207   HH12  ARG1922          HH11      ARG1922  13.470  12.267  -0.849
  208   HH21  ARG1922          HH22      ARG1922  14.843  12.472   2.380
  209   HH22  ARG1922          HH21      ARG1922  15.085  12.821   0.690
  210    H    ARG1923           H        ARG1923  12.991   8.344   6.231
  211    HA   ARG1923           HA       ARG1923  13.660  10.680   7.573
  212    HB2  ARG1923           HB2      ARG1923  13.782   8.588   8.712
  213    HB3  ARG1923           HB3      ARG1923  14.951   7.955   7.566
  214    HG2  ARG1923           HG2      ARG1923  16.650   9.445   8.396
  215    HG3  ARG1923           HG3      ARG1923  15.482  10.236   9.458
  216    HD2  ARG1923           HD2      ARG1923  15.296   8.353  10.841
  217    HD3  ARG1923           HD3      ARG1923  16.025   7.290   9.638
  218    HE   ARG1923           HE       ARG1923  18.147   8.510  10.073
  219   HH11  ARG1923          HH12      ARG1923  15.610   8.536  12.504
  220   HH12  ARG1923          HH11      ARG1923  16.720   8.727  13.834
  221   HH21  ARG1923          HH22      ARG1923  19.593   8.769  11.809
  222   HH22  ARG1923          HH21      ARG1923  18.984   8.888  13.435
  223    H    GLY1924           H        GLY1924  15.837   8.728   5.483
  224    HA2  GLY1924           HA2      GLY1924  16.904  10.291   3.740
  225    HA3  GLY1924           HA3      GLY1924  17.483  11.152   5.161
  226    H    ASP1925           H        ASP1925  17.748   8.540   6.597
  227    HA   ASP1925           HA       ASP1925  20.340   7.732   5.775
  228    HB2  ASP1925           HB2      ASP1925  18.281   6.514   7.614
  229    HB3  ASP1925           HB3      ASP1925  19.822   5.724   7.289
  230    H    LEU1926           H        LEU1926  17.107   6.718   5.083
  231    HA   LEU1926           HA       LEU1926  17.510   4.335   3.736
  232    HB2  LEU1926           HB2      LEU1926  15.482   6.430   3.864
  233    HB3  LEU1926           HB3      LEU1926  15.523   5.595   2.327
  234    HG   LEU1926           HG       LEU1926  14.313   4.796   4.773
  235   HD11  LEU1926          HD11      LEU1926  13.343   4.679   2.546
  236   HD12  LEU1926          HD12      LEU1926  14.556   3.494   2.061
  237   HD13  LEU1926          HD13      LEU1926  13.365   3.083   3.296
  238   HD21  LEU1926          HD21      LEU1926  16.343   2.821   3.719
  239   HD22  LEU1926          HD22      LEU1926  16.416   3.636   5.285
  240   HD23  LEU1926          HD23      LEU1926  15.110   2.503   4.937
  241    HA   PRO1927           HA       PRO1927  19.273   5.674  -0.180
  242    HB2  PRO1927           HB2      PRO1927  18.664   3.402  -1.549
  243    HB3  PRO1927           HB3      PRO1927  20.075   3.553  -0.506
  244    HG2  PRO1927           HG2      PRO1927  17.444   2.250   0.031
  245    HG3  PRO1927           HG3      PRO1927  19.068   1.736   0.521
  246    HD2  PRO1927           HD2      PRO1927  17.312   2.982   2.198
  247    HD3  PRO1927           HD3      PRO1927  19.075   3.100   2.364
  248    H    PHE1928           H        PHE1928  16.213   3.861  -0.011
  249    HA   PHE1928           HA       PHE1928  15.373   5.060  -2.515
  250    HB2  PHE1928           HB2      PHE1928  14.269   3.139  -2.884
  251    HB3  PHE1928           HB3      PHE1928  15.167   2.522  -1.532
  252    HD1  PHE1928           HD2      PHE1928  12.023   4.473  -2.034
  253    HD2  PHE1928           HD1      PHE1928  14.038   1.290  -0.094
  254    HE1  PHE1928           HE2      PHE1928   9.952   3.875  -0.885
  255    HE2  PHE1928           HE1      PHE1928  11.957   0.675   1.054
  256    HZ   PHE1928           HZ       PHE1928   9.934   1.971   0.639
  257    H    VAL1929           H        VAL1929  13.529   6.164  -2.808
  258    HA   VAL1929           HA       VAL1929  11.822   7.022  -0.675
  259    HB   VAL1929           HB       VAL1929  12.476   9.451  -0.940
  260   HG11  VAL1929          HG11      VAL1929  14.257   9.361   0.655
  261   HG12  VAL1929          HG12      VAL1929  13.163   8.014   0.994
  262   HG13  VAL1929          HG13      VAL1929  14.687   7.723   0.146
  263   HG21  VAL1929          HG21      VAL1929  14.731   9.887  -1.815
  264   HG22  VAL1929          HG22      VAL1929  14.875   8.174  -2.230
  265   HG23  VAL1929          HG23      VAL1929  13.669   9.176  -3.036
  266    H    VAL1930           H        VAL1930  10.127   8.426  -1.517
  267    HA   VAL1930           HA       VAL1930   9.691   8.139  -4.337
  268    HB   VAL1930           HB       VAL1930   8.152   9.881  -2.403
  269   HG11  VAL1930          HG11      VAL1930   7.815  10.476  -4.741
  270   HG12  VAL1930          HG12      VAL1930   7.425   8.799  -5.121
  271   HG13  VAL1930          HG13      VAL1930   6.364   9.734  -4.067
  272   HG21  VAL1930          HG21      VAL1930   8.096   7.577  -1.659
  273   HG22  VAL1930          HG22      VAL1930   6.529   8.051  -2.322
  274   HG23  VAL1930          HG23      VAL1930   7.626   7.051  -3.276
  275    HA   PRO1931           HA       PRO1931  11.715  12.034  -5.451
  276    HB2  PRO1931           HB2      PRO1931  10.842  11.931  -8.058
  277    HB3  PRO1931           HB3      PRO1931  12.320  11.166  -7.471
  278    HG2  PRO1931           HG2      PRO1931   9.660   9.965  -8.046
  279    HG3  PRO1931           HG3      PRO1931  11.278   9.279  -8.268
  280    HD2  PRO1931           HD2      PRO1931   9.625   8.609  -6.206
  281    HD3  PRO1931           HD3      PRO1931  11.396   8.547  -6.098
  282    H    ARG1932           H        ARG1932  10.822  14.035  -6.621
  283    HA   ARG1932           HA       ARG1932   8.582  14.941  -5.261
  284    HB2  ARG1932           HB2      ARG1932   9.850  16.012  -7.767
  285    HB3  ARG1932           HB3      ARG1932   8.590  16.858  -6.879
  286    HG2  ARG1932           HG2      ARG1932  10.111  16.754  -4.866
  287    HG3  ARG1932           HG3      ARG1932  11.377  16.205  -5.969
  288    HD2  ARG1932           HD2      ARG1932  11.520  18.609  -5.635
  289    HD3  ARG1932           HD3      ARG1932  11.082  18.242  -7.304
  290    HE   ARG1932           HE       ARG1932   8.885  18.788  -5.467
  291   HH11  ARG1932          HH12      ARG1932  10.999  19.967  -8.008
  292   HH12  ARG1932          HH11      ARG1932   9.990  21.341  -8.376
  293   HH21  ARG1932          HH22      ARG1932   7.556  20.582  -5.962
  294   HH22  ARG1932          HH21      ARG1932   8.048  21.696  -7.207
  295    H    ARG1933           H        ARG1933   8.628  12.979  -7.980
  296    HA   ARG1933           HA       ARG1933   5.736  12.967  -8.005
  297    HB2  ARG1933           HB2      ARG1933   5.695  12.968 -10.524
  298    HB3  ARG1933           HB3      ARG1933   6.095  14.521  -9.803
  299    HG2  ARG1933           HG2      ARG1933   8.453  14.151 -10.268
  300    HG3  ARG1933           HG3      ARG1933   8.081  12.565 -10.947
  301    HD2  ARG1933           HD2      ARG1933   6.917  15.132 -12.005
  302    HD3  ARG1933           HD3      ARG1933   8.413  14.429 -12.616
  303    HE   ARG1933           HE       ARG1933   7.145  12.549 -13.400
  304   HH11  ARG1933          HH12      ARG1933   5.219  15.271 -12.307
  305   HH12  ARG1933          HH11      ARG1933   3.823  14.805 -13.237
  306   HH21  ARG1933          HH22      ARG1933   5.323  11.931 -14.604
  307   HH22  ARG1933          HH21      ARG1933   3.871  12.894 -14.521
  308    H    MET1934           H        MET1934   5.135  11.087  -9.726
  309    HA   MET1934           HA       MET1934   6.404   8.794  -8.610
  310    HB2  MET1934           HB2      MET1934   4.698   8.729 -11.087
  311    HB3  MET1934           HB3      MET1934   4.886   7.490  -9.855
  312    HG2  MET1934           HG2      MET1934   3.229   9.961  -9.828
  313    HG3  MET1934           HG3      MET1934   2.795   8.313  -9.395
  314    HE1  MET1934           HE1      MET1934   3.732   7.147  -7.090
  315    HE2  MET1934           HE2      MET1934   5.373   7.698  -7.437
  316    HE3  MET1934           HE3      MET1934   4.639   8.047  -5.873
  317    H    ALA1935           H        ALA1935   6.772  10.701 -11.454
  318    HA   ALA1935           HA       ALA1935   8.498  10.966 -12.880
  319    HB1  ALA1935           HB1      ALA1935   9.700  11.118 -10.721
  320    HB2  ALA1935           HB2      ALA1935  10.064   9.394 -10.840
  321    HB3  ALA1935           HB3      ALA1935  10.709  10.514 -12.040
  322    H    MET   1           H1       MET   1   1.603  -4.204 -21.209
  323    HA   MET   1           HA       MET   1  -0.218  -3.944 -18.887
  324    HB2  MET   1           HB2      MET   1   1.378  -5.302 -17.654
  325    HB3  MET   1           HB3      MET   1   0.800  -6.199 -19.052
  326    HG2  MET   1           HG2      MET   1   2.838  -5.723 -20.251
  327    HG3  MET   1           HG3      MET   1   3.411  -4.711 -18.927
  328    HE1  MET   1           HE1      MET   1   5.696  -6.053 -18.903
  329    HE2  MET   1           HE2      MET   1   5.797  -7.810 -18.783
  330    HE3  MET   1           HE3      MET   1   5.114  -7.062 -20.227
  331    H    ALA   2           H        ALA   2   0.786  -2.819 -17.092
  332    HA   ALA   2           HA       ALA   2   2.879  -0.935 -17.964
  333    HB1  ALA   2           HB1      ALA   2   2.105   0.523 -16.177
  334    HB2  ALA   2           HB2      ALA   2   0.761   0.083 -17.234
  335    HB3  ALA   2           HB3      ALA   2   0.943  -0.701 -15.662
  336    H    CYS   3           H        CYS   3   4.380  -0.246 -16.112
  337    HA   CYS   3           HA       CYS   3   5.681  -2.412 -14.909
  338    HB2  CYS   3           HB2      CYS   3   5.700   0.463 -13.960
  339    HB3  CYS   3           HB3      CYS   3   6.932  -0.756 -13.653
  340    HG   CYS   3           HG       CYS   3   7.473   1.393 -15.660
  341    HA   PRO   4           HA       PRO   4   2.160  -3.320 -12.344
  342    HB2  PRO   4           HB2      PRO   4   4.166  -5.151 -11.108
  343    HB3  PRO   4           HB3      PRO   4   2.535  -5.508 -11.701
  344    HG2  PRO   4           HG2      PRO   4   4.594  -6.253 -13.151
  345    HG3  PRO   4           HG3      PRO   4   3.224  -5.465 -13.951
  346    HD2  PRO   4           HD2      PRO   4   5.869  -4.301 -13.152
  347    HD3  PRO   4           HD3      PRO   4   4.968  -4.104 -14.673
  348    H    LEU   5           H        LEU   5   5.181  -3.660 -10.451
  349    HA   LEU   5           HA       LEU   5   3.938  -2.814  -8.055
  350    HB2  LEU   5           HB2      LEU   5   6.274  -4.061  -8.696
  351    HB3  LEU   5           HB3      LEU   5   6.857  -2.468  -8.257
  352    HG   LEU   5           HG       LEU   5   6.943  -4.028  -6.368
  353   HD11  LEU   5          HD11      LEU   5   5.719  -2.662  -4.721
  354   HD12  LEU   5          HD12      LEU   5   6.677  -1.699  -5.847
  355   HD13  LEU   5          HD13      LEU   5   4.930  -1.814  -6.053
  356   HD21  LEU   5          HD21      LEU   5   3.948  -4.149  -6.663
  357   HD22  LEU   5          HD22      LEU   5   5.081  -5.468  -6.955
  358   HD23  LEU   5          HD23      LEU   5   4.880  -4.824  -5.325
  359    H    GLU   6           H        GLU   6   5.597  -1.126 -10.609
  360    HA   GLU   6           HA       GLU   6   6.138   1.261  -9.240
  361    HB2  GLU   6           HB2      GLU   6   7.211   0.704 -11.363
  362    HB3  GLU   6           HB3      GLU   6   5.663   0.806 -12.188
  363    HG2  GLU   6           HG2      GLU   6   6.409   3.228 -10.720
  364    HG3  GLU   6           HG3      GLU   6   7.501   2.804 -12.037
  365    H    LYS   7           H        LYS   7   3.366   0.210 -11.170
  366    HA   LYS   7           HA       LYS   7   2.015   2.691 -11.018
  367    HB2  LYS   7           HB2      LYS   7   0.800  -0.042 -11.466
  368    HB3  LYS   7           HB3      LYS   7   0.024   1.499 -11.786
  369    HG2  LYS   7           HG2      LYS   7   2.199   0.124 -13.290
  370    HG3  LYS   7           HG3      LYS   7   0.702   0.843 -13.883
  371    HD2  LYS   7           HD2      LYS   7   3.139   2.320 -12.887
  372    HD3  LYS   7           HD3      LYS   7   2.612   2.178 -14.563
  373    HE2  LYS   7           HE2      LYS   7   0.705   3.522 -14.171
  374    HE3  LYS   7           HE3      LYS   7   0.911   3.428 -12.422
  375    HZ1  LYS   7           HZ1      LYS   7   1.694   5.531 -13.063
  376    HZ2  LYS   7           HZ2      LYS   7   2.583   4.910 -14.366
  377    HZ3  LYS   7           HZ3      LYS   7   3.091   4.605 -12.779
  378    H    ALA   8           H        ALA   8   2.147  -0.103  -8.935
  379    HA   ALA   8           HA       ALA   8  -0.112   0.132  -7.408
  380    HB1  ALA   8           HB1      ALA   8   1.531  -1.653  -7.136
  381    HB2  ALA   8           HB2      ALA   8   2.645  -0.511  -6.383
  382    HB3  ALA   8           HB3      ALA   8   1.120  -0.908  -5.589
  383    H    LEU   9           H        LEU   9   2.966   1.851  -6.793
  384    HA   LEU   9           HA       LEU   9   1.793   3.346  -4.637
  385    HB2  LEU   9           HB2      LEU   9   4.375   3.931  -6.085
  386    HB3  LEU   9           HB3      LEU   9   3.884   4.556  -4.525
  387    HG   LEU   9           HG       LEU   9   5.381   2.918  -3.922
  388   HD11  LEU   9          HD11      LEU   9   4.134   1.014  -3.033
  389   HD12  LEU   9          HD12      LEU   9   3.301   2.540  -2.743
  390   HD13  LEU   9          HD13      LEU   9   2.746   1.463  -4.024
  391   HD21  LEU   9          HD21      LEU   9   5.631   0.758  -4.974
  392   HD22  LEU   9          HD22      LEU   9   4.259   1.085  -6.030
  393   HD23  LEU   9          HD23      LEU   9   5.736   2.037  -6.186
  394    H    ASP  10           H        ASP  10   2.581   4.005  -8.004
  395    HA   ASP  10           HA       ASP  10   2.103   6.758  -8.066
  396    HB2  ASP  10           HB2      ASP  10   3.154   5.840  -9.957
  397    HB3  ASP  10           HB3      ASP  10   1.944   4.578 -10.132
  398    H    VAL  11           H        VAL  11  -0.131   4.066  -8.642
  399    HA   VAL  11           HA       VAL  11  -2.291   5.778  -9.348
  400    HB   VAL  11           HB       VAL  11  -3.666   3.834  -9.434
  401   HG11  VAL  11          HG11      VAL  11  -2.383   2.434 -10.945
  402   HG12  VAL  11          HG12      VAL  11  -2.019   4.139 -11.217
  403   HG13  VAL  11          HG13      VAL  11  -0.879   3.124 -10.332
  404   HG21  VAL  11          HG21      VAL  11  -2.909   1.641  -8.633
  405   HG22  VAL  11          HG22      VAL  11  -1.464   2.396  -7.957
  406   HG23  VAL  11          HG23      VAL  11  -3.056   2.810  -7.320
  407    H    MET  12           H        MET  12  -1.081   4.565  -6.322
  408    HA   MET  12           HA       MET  12  -3.409   4.699  -4.781
  409    HB2  MET  12           HB2      MET  12  -0.550   5.244  -4.004
  410    HB3  MET  12           HB3      MET  12  -1.872   5.255  -2.849
  411    HG2  MET  12           HG2      MET  12  -2.274   2.859  -3.978
  412    HG3  MET  12           HG3      MET  12  -0.530   3.006  -4.180
  413    HE1  MET  12           HE1      MET  12  -1.395   0.695  -2.786
  414    HE2  MET  12           HE2      MET  12   0.293   1.064  -2.430
  415    HE3  MET  12           HE3      MET  12  -0.817   0.653  -1.118
  416    H    VAL  13           H        VAL  13  -1.081   7.230  -5.631
  417    HA   VAL  13           HA       VAL  13  -2.708   9.202  -4.243
  418    HB   VAL  13           HB       VAL  13  -0.979  10.831  -4.844
  419   HG11  VAL  13          HG11      VAL  13  -0.717   9.547  -2.792
  420   HG12  VAL  13          HG12      VAL  13   0.154   8.290  -3.675
  421   HG13  VAL  13          HG13      VAL  13   0.856   9.906  -3.515
  422   HG21  VAL  13          HG21      VAL  13   0.371   8.525  -6.225
  423   HG22  VAL  13          HG22      VAL  13  -0.310   9.963  -6.993
  424   HG23  VAL  13          HG23      VAL  13   1.089  10.111  -5.927
  425    H    SER  14           H        SER  14  -2.165   8.030  -7.462
  426    HA   SER  14           HA       SER  14  -3.209  10.272  -8.859
  427    HB2  SER  14           HB2      SER  14  -1.835   8.550  -9.969
  428    HB3  SER  14           HB3      SER  14  -3.109   7.362  -9.700
  429    HG   SER  14           HG       SER  14  -3.492   9.772 -11.159
  430    H    THR  15           H        THR  15  -4.665   7.107  -8.096
  431    HA   THR  15           HA       THR  15  -7.277   7.858  -8.884
  432    HB   THR  15           HB       THR  15  -6.478   5.605  -7.032
  433    HG1  THR  15           HG1      THR  15  -6.818   4.607  -9.389
  434   HG21  THR  15          HG21      THR  15  -8.499   4.521  -7.817
  435   HG22  THR  15          HG22      THR  15  -8.845   5.880  -8.889
  436   HG23  THR  15          HG23      THR  15  -8.906   6.099  -7.141
  437    H    PHE  16           H        PHE  16  -5.480   8.059  -5.936
  438    HA   PHE  16           HA       PHE  16  -7.331   8.582  -3.982
  439    HB2  PHE  16           HB2      PHE  16  -4.916   8.483  -3.617
  440    HB3  PHE  16           HB3      PHE  16  -4.700   9.974  -4.515
  441    HD1  PHE  16           HD2      PHE  16  -6.328   8.596  -1.477
  442    HD2  PHE  16           HD1      PHE  16  -4.660  11.993  -3.416
  443    HE1  PHE  16           HE2      PHE  16  -6.471   9.862   0.627
  444    HE2  PHE  16           HE1      PHE  16  -4.796  13.266  -1.318
  445    HZ   PHE  16           HZ       PHE  16  -5.704  12.200   0.706
  446    H    HIS  17           H        HIS  17  -6.097  10.788  -6.452
  447    HA   HIS  17           HA       HIS  17  -7.512  13.072  -5.459
  448    HB2  HIS  17           HB2      HIS  17  -5.908  12.458  -7.927
  449    HB3  HIS  17           HB3      HIS  17  -6.861  13.934  -7.849
  450    HD1  HIS  17           HD1      HIS  17  -5.456  15.829  -7.279
  451    HD2  HIS  17           HD2      HIS  17  -4.161  12.369  -5.362
  452    HE1  HIS  17           HE1      HIS  17  -3.488  16.523  -5.882
  453    HE2  HIS  17           HE2      HIS  17  -2.937  14.488  -4.513
  454    H    LYS  18           H        LYS  18  -8.303  10.476  -7.619
  455    HA   LYS  18           HA       LYS  18 -10.004  11.902  -9.381
  456    HB2  LYS  18           HB2      LYS  18 -10.077   8.950  -8.769
  457    HB3  LYS  18           HB3      LYS  18 -10.725   9.742 -10.194
  458    HG2  LYS  18           HG2      LYS  18  -8.463  10.342 -10.890
  459    HG3  LYS  18           HG3      LYS  18  -7.815   9.551  -9.451
  460    HD2  LYS  18           HD2      LYS  18  -8.939   7.443 -10.229
  461    HD3  LYS  18           HD3      LYS  18  -9.301   8.276 -11.743
  462    HE2  LYS  18           HE2      LYS  18  -6.929   8.622 -12.140
  463    HE3  LYS  18           HE3      LYS  18  -6.546   7.856 -10.601
  464    HZ1  LYS  18           HZ1      LYS  18  -7.717   6.583 -13.012
  465    HZ2  LYS  18           HZ2      LYS  18  -7.676   5.819 -11.499
  466    HZ3  LYS  18           HZ3      LYS  18  -6.226   6.243 -12.276
  467    H    TYR  19           H        TYR  19 -10.808   9.635  -6.735
  468    HA   TYR  19           HA       TYR  19 -13.616  10.237  -7.255
  469    HB2  TYR  19           HB2      TYR  19 -12.350   7.992  -5.686
  470    HB3  TYR  19           HB3      TYR  19 -14.079   8.176  -5.982
  471    HD1  TYR  19           HD2      TYR  19 -14.916   8.114  -8.348
  472    HD2  TYR  19           HD1      TYR  19 -10.940   7.020  -7.322
  473    HE1  TYR  19           HE2      TYR  19 -14.681   6.970 -10.505
  474    HE2  TYR  19           HE1      TYR  19 -10.689   5.877  -9.483
  475    HH   TYR  19           HH       TYR  19 -12.001   4.927 -11.227
  476    H    SER  20           H        SER  20 -11.257  11.128  -5.043
  477    HA   SER  20           HA       SER  20 -13.010  11.512  -2.796
  478    HB2  SER  20           HB2      SER  20 -11.064  12.860  -1.898
  479    HB3  SER  20           HB3      SER  20 -10.634  11.218  -2.396
  480    HG   SER  20           HG       SER  20  -9.228  12.120  -3.650
  481    H    GLY  21           H        GLY  21 -11.372  13.679  -5.090
  482    HA2  GLY  21           HA2      GLY  21 -12.851  15.983  -4.339
  483    HA3  GLY  21           HA3      GLY  21 -11.848  15.820  -5.772
  484    H    LYS  22           H        LYS  22 -14.011  13.321  -5.840
  485    HA   LYS  22           HA       LYS  22 -15.651  14.605  -7.827
  486    HB2  LYS  22           HB2      LYS  22 -14.991  12.238  -8.068
  487    HB3  LYS  22           HB3      LYS  22 -15.889  11.844  -6.608
  488    HG2  LYS  22           HG2      LYS  22 -17.962  12.578  -7.704
  489    HG3  LYS  22           HG3      LYS  22 -17.047  12.907  -9.175
  490    HD2  LYS  22           HD2      LYS  22 -16.398  10.533  -9.275
  491    HD3  LYS  22           HD3      LYS  22 -17.374  10.222  -7.837
  492    HE2  LYS  22           HE2      LYS  22 -19.371  10.970  -9.028
  493    HE3  LYS  22           HE3      LYS  22 -18.400  11.297 -10.463
  494    HZ1  LYS  22           HZ1      LYS  22 -19.454   9.203 -10.737
  495    HZ2  LYS  22           HZ2      LYS  22 -18.933   8.652  -9.220
  496    HZ3  LYS  22           HZ3      LYS  22 -17.806   8.903 -10.467
  497    H    GLU  23           H        GLU  23 -15.962  13.549  -4.496
  498    HA   GLU  23           HA       GLU  23 -18.755  14.444  -4.457
  499    HB2  GLU  23           HB2      GLU  23 -17.189  12.875  -2.400
  500    HB3  GLU  23           HB3      GLU  23 -18.892  13.291  -2.285
  501    HG2  GLU  23           HG2      GLU  23 -17.727  11.607  -4.489
  502    HG3  GLU  23           HG3      GLU  23 -18.419  10.952  -3.006
  503    H    GLY  24           H        GLY  24 -15.785  14.720  -2.450
  504    HA2  GLY  24           HA2      GLY  24 -16.673  17.445  -1.761
  505    HA3  GLY  24           HA3      GLY  24 -16.248  16.318  -0.485
  506    H    ASP  25           H        ASP  25 -14.057  15.742  -0.186
  507    HA   ASP  25           HA       ASP  25 -12.283  17.891  -1.123
  508    HB2  ASP  25           HB2      ASP  25 -12.669  17.555   1.351
  509    HB3  ASP  25           HB3      ASP  25 -11.836  16.010   1.201
  510    H    LYS  26           H        LYS  26 -10.200  17.440  -1.889
  511    HA   LYS  26           HA       LYS  26 -10.114  14.997  -3.410
  512    HB2  LYS  26           HB2      LYS  26  -7.893  16.043  -4.247
  513    HB3  LYS  26           HB3      LYS  26  -9.418  16.758  -4.719
  514    HG2  LYS  26           HG2      LYS  26  -7.726  18.434  -4.150
  515    HG3  LYS  26           HG3      LYS  26  -9.139  18.539  -3.111
  516    HD2  LYS  26           HD2      LYS  26  -7.203  18.824  -1.747
  517    HD3  LYS  26           HD3      LYS  26  -7.871  17.231  -1.394
  518    HE2  LYS  26           HE2      LYS  26  -5.480  17.065  -1.546
  519    HE3  LYS  26           HE3      LYS  26  -6.197  16.239  -2.928
  520    HZ1  LYS  26           HZ1      LYS  26  -4.259  17.643  -3.483
  521    HZ2  LYS  26           HZ2      LYS  26  -5.141  19.014  -3.011
  522    HZ3  LYS  26           HZ3      LYS  26  -5.665  18.081  -4.328
  523    H    PHE  27           H        PHE  27  -9.099  15.696  -0.331
  524    HA   PHE  27           HA       PHE  27  -6.875  13.791  -0.513
  525    HB2  PHE  27           HB2      PHE  27  -6.346  16.160   0.122
  526    HB3  PHE  27           HB3      PHE  27  -7.351  15.950   1.547
  527    HD1  PHE  27           HD2      PHE  27  -6.671  14.476   3.319
  528    HD2  PHE  27           HD1      PHE  27  -4.192  15.232  -0.029
  529    HE1  PHE  27           HE2      PHE  27  -4.718  13.628   4.588
  530    HE2  PHE  27           HE1      PHE  27  -2.229  14.382   1.205
  531    HZ   PHE  27           HZ       PHE  27  -2.495  13.580   3.523
  532    H    LYS  28           H        LYS  28 -10.012  14.248   0.558
  533    HA   LYS  28           HA       LYS  28  -9.687  12.152   2.599
  534    HB2  LYS  28           HB2      LYS  28 -11.689  14.425   2.644
  535    HB3  LYS  28           HB3      LYS  28 -11.630  13.103   3.798
  536    HG2  LYS  28           HG2      LYS  28  -9.637  15.315   3.415
  537    HG3  LYS  28           HG3      LYS  28 -10.621  14.961   4.838
  538    HD2  LYS  28           HD2      LYS  28  -9.409  12.798   5.058
  539    HD3  LYS  28           HD3      LYS  28  -8.364  13.310   3.724
  540    HE2  LYS  28           HE2      LYS  28  -7.208  13.806   5.748
  541    HE3  LYS  28           HE3      LYS  28  -7.790  15.339   5.099
  542    HZ1  LYS  28           HZ1      LYS  28  -8.200  15.283   7.439
  543    HZ2  LYS  28           HZ2      LYS  28  -8.980  13.782   7.334
  544    HZ3  LYS  28           HZ3      LYS  28  -9.696  15.158   6.653
  545    H    LEU  29           H        LEU  29 -10.717  10.369   2.179
  546    HA   LEU  29           HA       LEU  29 -12.993  10.511   0.324
  547    HB2  LEU  29           HB2      LEU  29 -11.106   8.239   0.903
  548    HB3  LEU  29           HB3      LEU  29 -12.613   8.022   0.037
  549    HG   LEU  29           HG       LEU  29 -11.602   9.946  -1.486
  550   HD11  LEU  29          HD11      LEU  29  -9.147   8.581  -0.384
  551   HD12  LEU  29          HD12      LEU  29  -9.190   9.679  -1.764
  552   HD13  LEU  29          HD13      LEU  29  -9.593  10.274  -0.153
  553   HD21  LEU  29          HD21      LEU  29 -12.297   7.747  -2.246
  554   HD22  LEU  29          HD22      LEU  29 -10.755   8.204  -2.974
  555   HD23  LEU  29          HD23      LEU  29 -10.795   7.048  -1.641
  556    H    ASN  30           H        ASN  30 -14.773  10.699   1.465
  557    HA   ASN  30           HA       ASN  30 -15.202   9.186   3.889
  558    HB2  ASN  30           HB2      ASN  30 -17.199  10.366   4.143
  559    HB3  ASN  30           HB3      ASN  30 -16.190  11.522   3.287
  560   HD21  ASN  30          HD21      ASN  30 -16.620  11.947   1.100
  561   HD22  ASN  30          HD22      ASN  30 -18.164  11.574   0.402
  562    H    LYS  31           H        LYS  31 -17.642   8.143   3.790
  563    HA   LYS  31           HA       LYS  31 -17.427   5.689   2.621
  564    HB2  LYS  31           HB2      LYS  31 -19.978   7.237   3.082
  565    HB3  LYS  31           HB3      LYS  31 -19.881   5.502   2.826
  566    HG2  LYS  31           HG2      LYS  31 -18.595   5.253   4.890
  567    HG3  LYS  31           HG3      LYS  31 -18.649   7.004   5.126
  568    HD2  LYS  31           HD2      LYS  31 -21.074   6.937   5.284
  569    HD3  LYS  31           HD3      LYS  31 -21.059   5.197   4.990
  570    HE2  LYS  31           HE2      LYS  31 -19.809   4.849   7.051
  571    HE3  LYS  31           HE3      LYS  31 -19.780   6.591   7.339
  572    HZ1  LYS  31           HZ1      LYS  31 -22.169   6.590   7.529
  573    HZ2  LYS  31           HZ2      LYS  31 -21.522   5.456   8.613
  574    HZ3  LYS  31           HZ3      LYS  31 -22.243   4.934   7.170
  575    H    SER  32           H        SER  32 -18.973   8.543   1.138
  576    HA   SER  32           HA       SER  32 -19.865   7.078  -1.164
  577    HB2  SER  32           HB2      SER  32 -20.992   9.129  -0.245
  578    HB3  SER  32           HB3      SER  32 -19.636  10.083  -0.847
  579    HG   SER  32           HG       SER  32 -20.706  10.141  -2.652
  580    H    GLU  33           H        GLU  33 -16.963   8.828  -0.349
  581    HA   GLU  33           HA       GLU  33 -16.161   9.214  -3.102
  582    HB2  GLU  33           HB2      GLU  33 -14.806   9.743  -0.444
  583    HB3  GLU  33           HB3      GLU  33 -14.048  10.083  -2.004
  584    HG2  GLU  33           HG2      GLU  33 -15.583  11.746  -2.538
  585    HG3  GLU  33           HG3      GLU  33 -16.752  11.184  -1.353
  586    H    LEU  34           H        LEU  34 -15.299   7.158  -0.371
  587    HA   LEU  34           HA       LEU  34 -13.358   5.623  -1.763
  588    HB2  LEU  34           HB2      LEU  34 -14.989   5.244   0.707
  589    HB3  LEU  34           HB3      LEU  34 -14.117   3.881   0.036
  590    HG   LEU  34           HG       LEU  34 -12.762   6.472   0.723
  591   HD11  LEU  34          HD11      LEU  34 -12.063   5.339   2.791
  592   HD12  LEU  34          HD12      LEU  34 -13.804   5.634   2.718
  593   HD13  LEU  34          HD13      LEU  34 -13.167   4.015   2.412
  594   HD21  LEU  34          HD21      LEU  34 -11.552   5.074  -0.814
  595   HD22  LEU  34          HD22      LEU  34 -10.778   4.984   0.770
  596   HD23  LEU  34          HD23      LEU  34 -11.805   3.662   0.210
  597    H    LYS  35           H        LYS  35 -16.854   5.434  -1.423
  598    HA   LYS  35           HA       LYS  35 -17.402   2.977  -2.445
  599    HB2  LYS  35           HB2      LYS  35 -19.059   4.529  -1.556
  600    HB3  LYS  35           HB3      LYS  35 -18.821   5.597  -2.931
  601    HG2  LYS  35           HG2      LYS  35 -19.822   4.077  -4.408
  602    HG3  LYS  35           HG3      LYS  35 -19.775   2.773  -3.216
  603    HD2  LYS  35           HD2      LYS  35 -21.346   4.035  -1.799
  604    HD3  LYS  35           HD3      LYS  35 -21.421   5.298  -3.040
  605    HE2  LYS  35           HE2      LYS  35 -22.291   3.710  -4.632
  606    HE3  LYS  35           HE3      LYS  35 -22.111   2.424  -3.442
  607    HZ1  LYS  35           HZ1      LYS  35 -24.403   3.193  -3.575
  608    HZ2  LYS  35           HZ2      LYS  35 -23.916   4.771  -3.194
  609    HZ3  LYS  35           HZ3      LYS  35 -23.746   3.527  -2.049
  610    H    GLU  36           H        GLU  36 -17.173   5.982  -4.378
  611    HA   GLU  36           HA       GLU  36 -17.397   4.626  -6.843
  612    HB2  GLU  36           HB2      GLU  36 -17.644   7.182  -6.206
  613    HB3  GLU  36           HB3      GLU  36 -15.953   7.225  -6.694
  614    HG2  GLU  36           HG2      GLU  36 -17.220   7.786  -8.604
  615    HG3  GLU  36           HG3      GLU  36 -16.636   6.144  -8.847
  616    H    LEU  37           H        LEU  37 -14.693   5.390  -4.805
  617    HA   LEU  37           HA       LEU  37 -12.544   4.926  -6.525
  618    HB2  LEU  37           HB2      LEU  37 -12.519   5.721  -4.110
  619    HB3  LEU  37           HB3      LEU  37 -12.714   4.038  -3.655
  620    HG   LEU  37           HG       LEU  37 -10.571   3.702  -5.131
  621   HD11  LEU  37          HD11      LEU  37 -10.530   6.000  -5.958
  622   HD12  LEU  37          HD12      LEU  37 -10.337   6.588  -4.308
  623   HD13  LEU  37          HD13      LEU  37  -9.070   5.608  -5.047
  624   HD21  LEU  37          HD21      LEU  37 -10.515   4.935  -2.381
  625   HD22  LEU  37          HD22      LEU  37 -10.729   3.224  -2.754
  626   HD23  LEU  37          HD23      LEU  37  -9.203   4.023  -3.130
  627    H    LEU  38           H        LEU  38 -14.171   2.667  -4.343
  628    HA   LEU  38           HA       LEU  38 -12.733   0.428  -5.369
  629    HB2  LEU  38           HB2      LEU  38 -14.975   0.751  -3.408
  630    HB3  LEU  38           HB3      LEU  38 -14.450  -0.840  -3.926
  631    HG   LEU  38           HG       LEU  38 -12.106   0.501  -3.175
  632   HD11  LEU  38          HD11      LEU  38 -13.407   2.195  -2.037
  633   HD12  LEU  38          HD12      LEU  38 -14.310   0.950  -1.173
  634   HD13  LEU  38          HD13      LEU  38 -12.587   1.163  -0.862
  635   HD21  LEU  38          HD21      LEU  38 -13.764  -1.519  -1.673
  636   HD22  LEU  38          HD22      LEU  38 -12.570  -1.878  -2.920
  637   HD23  LEU  38          HD23      LEU  38 -12.060  -1.164  -1.390
  638    H    THR  39           H        THR  39 -15.828   1.873  -6.093
  639    HA   THR  39           HA       THR  39 -17.022  -0.405  -7.293
  640    HB   THR  39           HB       THR  39 -18.496   1.214  -8.504
  641    HG1  THR  39           HG1      THR  39 -18.212   3.421  -8.125
  642   HG21  THR  39          HG21      THR  39 -18.172   1.761  -5.553
  643   HG22  THR  39          HG22      THR  39 -19.081   0.422  -6.256
  644   HG23  THR  39          HG23      THR  39 -19.613   2.083  -6.517
  645    H    ARG  40           H        ARG  40 -14.954   2.144  -8.520
  646    HA   ARG  40           HA       ARG  40 -15.265   1.228 -11.250
  647    HB2  ARG  40           HB2      ARG  40 -13.644   3.484 -10.071
  648    HB3  ARG  40           HB3      ARG  40 -13.784   3.147 -11.791
  649    HG2  ARG  40           HG2      ARG  40 -15.982   3.994  -9.917
  650    HG3  ARG  40           HG3      ARG  40 -15.270   4.935 -11.229
  651    HD2  ARG  40           HD2      ARG  40 -16.978   2.466 -11.437
  652    HD3  ARG  40           HD3      ARG  40 -17.358   4.095 -11.999
  653    HE   ARG  40           HE       ARG  40 -15.237   3.629 -13.478
  654   HH11  ARG  40          HH12      ARG  40 -17.848   1.414 -12.691
  655   HH12  ARG  40          HH11      ARG  40 -17.673   0.493 -14.157
  656   HH21  ARG  40          HH22      ARG  40 -15.013   2.414 -15.397
  657   HH22  ARG  40          HH21      ARG  40 -16.056   1.056 -15.692
  658    H    GLU  41           H        GLU  41 -12.494   1.737  -9.038
  659    HA   GLU  41           HA       GLU  41 -10.897   0.202 -10.944
  660    HB2  GLU  41           HB2      GLU  41 -10.249   2.371  -9.018
  661    HB3  GLU  41           HB3      GLU  41  -8.983   1.226  -9.452
  662    HG2  GLU  41           HG2      GLU  41  -9.236   1.751 -11.778
  663    HG3  GLU  41           HG3      GLU  41 -10.610   2.794 -11.440
  664    H    LEU  42           H        LEU  42 -12.372  -0.287  -7.952
  665    HA   LEU  42           HA       LEU  42 -10.601  -2.617  -7.556
  666    HB2  LEU  42           HB2      LEU  42 -12.064  -1.085  -5.401
  667    HB3  LEU  42           HB3      LEU  42 -11.133  -2.547  -5.149
  668    HG   LEU  42           HG       LEU  42  -9.165  -1.135  -6.127
  669   HD11  LEU  42          HD11      LEU  42 -10.459   0.803  -6.789
  670   HD12  LEU  42          HD12      LEU  42 -11.038   1.029  -5.135
  671   HD13  LEU  42          HD13      LEU  42  -9.317   1.241  -5.508
  672   HD21  LEU  42          HD21      LEU  42  -8.601  -0.419  -3.865
  673   HD22  LEU  42          HD22      LEU  42 -10.267  -0.693  -3.359
  674   HD23  LEU  42          HD23      LEU  42  -9.268  -2.052  -3.875
  675    HA   PRO  43           HA       PRO  43 -15.313  -3.337  -8.019
  676    HB2  PRO  43           HB2      PRO  43 -15.419  -4.658 -10.387
  677    HB3  PRO  43           HB3      PRO  43 -15.491  -2.897 -10.256
  678    HG2  PRO  43           HG2      PRO  43 -13.192  -4.657 -10.979
  679    HG3  PRO  43           HG3      PRO  43 -13.663  -3.087 -11.657
  680    HD2  PRO  43           HD2      PRO  43 -11.655  -3.404  -9.839
  681    HD3  PRO  43           HD3      PRO  43 -12.607  -1.916  -9.998
  682    H    SER  44           H        SER  44 -12.692  -5.551  -8.846
  683    HA   SER  44           HA       SER  44 -14.102  -7.941  -8.288
  684    HB2  SER  44           HB2      SER  44 -11.115  -7.469  -8.112
  685    HB3  SER  44           HB3      SER  44 -11.932  -9.013  -8.365
  686    HG   SER  44           HG       SER  44 -11.517  -8.479 -10.386
  687    H    PHE  45           H        PHE  45 -12.611  -5.530  -6.366
  688    HA   PHE  45           HA       PHE  45 -12.483  -7.211  -3.997
  689    HB2  PHE  45           HB2      PHE  45 -11.752  -4.295  -4.355
  690    HB3  PHE  45           HB3      PHE  45 -11.427  -5.279  -2.929
  691    HD1  PHE  45           HD1      PHE  45  -9.971  -7.378  -3.277
  692    HD2  PHE  45           HD2      PHE  45 -10.180  -4.158  -6.052
  693    HE1  PHE  45           HE1      PHE  45  -7.826  -8.085  -4.254
  694    HE2  PHE  45           HE2      PHE  45  -8.036  -4.859  -7.033
  695    HZ   PHE  45           HZ       PHE  45  -6.856  -6.826  -6.135
  696    H    LEU  46           H        LEU  46 -14.918  -5.889  -5.542
  697    HA   LEU  46           HA       LEU  46 -16.337  -5.334  -3.019
  698    HB2  LEU  46           HB2      LEU  46 -17.100  -4.382  -5.778
  699    HB3  LEU  46           HB3      LEU  46 -17.996  -4.080  -4.293
  700    HG   LEU  46           HG       LEU  46 -15.286  -2.978  -5.044
  701   HD11  LEU  46          HD11      LEU  46 -16.457  -0.840  -4.911
  702   HD12  LEU  46          HD12      LEU  46 -17.197  -1.905  -6.106
  703   HD13  LEU  46          HD13      LEU  46 -17.958  -1.684  -4.531
  704   HD21  LEU  46          HD21      LEU  46 -15.383  -1.773  -2.907
  705   HD22  LEU  46          HD22      LEU  46 -16.828  -2.684  -2.467
  706   HD23  LEU  46          HD23      LEU  46 -15.289  -3.520  -2.672
  707    H    GLY  47           H        GLY  47 -16.173  -7.236  -5.899
  708    HA2  GLY  47           HA2      GLY  47 -17.303  -9.149  -6.505
  709    HA3  GLY  47           HA3      GLY  47 -18.084  -9.118  -4.932
  710    H    LYS  48           H        LYS  48 -18.488  -6.175  -6.395
  711    HA   LYS  48           HA       LYS  48 -20.152  -5.085  -7.478
  712    HB2  LYS  48           HB2      LYS  48 -20.516  -7.835  -8.602
  713    HB3  LYS  48           HB3      LYS  48 -21.700  -6.585  -8.948
  714    HG2  LYS  48           HG2      LYS  48 -19.958  -6.850 -10.693
  715    HG3  LYS  48           HG3      LYS  48 -20.060  -5.225 -10.017
  716    HD2  LYS  48           HD2      LYS  48 -18.106  -5.565  -8.699
  717    HD3  LYS  48           HD3      LYS  48 -18.079  -7.287  -9.075
  718    HE2  LYS  48           HE2      LYS  48 -17.810  -5.166 -11.188
  719    HE3  LYS  48           HE3      LYS  48 -16.422  -5.806 -10.310
  720    HZ1  LYS  48           HZ1      LYS  48 -18.287  -7.303 -12.066
  721    HZ2  LYS  48           HZ2      LYS  48 -17.140  -8.049 -11.061
  722    HZ3  LYS  48           HZ3      LYS  48 -16.631  -7.027 -12.314
  723    H    ARG  49           H        ARG  49 -20.545  -6.991  -4.977
  724    HA   ARG  49           HA       ARG  49 -23.415  -6.412  -4.710
  725    HB2  ARG  49           HB2      ARG  49 -23.534  -8.360  -3.164
  726    HB3  ARG  49           HB3      ARG  49 -23.113  -8.801  -4.813
  727    HG2  ARG  49           HG2      ARG  49 -20.835  -9.122  -4.239
  728    HG3  ARG  49           HG3      ARG  49 -21.074  -8.405  -2.648
  729    HD2  ARG  49           HD2      ARG  49 -20.925 -10.873  -2.611
  730    HD3  ARG  49           HD3      ARG  49 -22.429 -10.245  -1.949
  731    HE   ARG  49           HE       ARG  49 -23.571 -10.974  -3.905
  732   HH11  ARG  49          HH12      ARG  49 -20.218 -12.036  -3.819
  733   HH12  ARG  49          HH11      ARG  49 -20.505 -13.392  -4.873
  734   HH21  ARG  49          HH22      ARG  49 -23.924 -12.730  -5.272
  735   HH22  ARG  49          HH21      ARG  49 -22.612 -13.784  -5.701
  736    H    THR  50           H        THR  50 -21.070  -4.809  -4.052
  737    HA   THR  50           HA       THR  50 -21.031  -4.722  -1.166
  738    HB   THR  50           HB       THR  50 -19.732  -2.519  -1.743
  739    HG1  THR  50           HG1      THR  50 -18.850  -2.556  -3.786
  740   HG21  THR  50          HG21      THR  50 -17.675  -3.844  -1.890
  741   HG22  THR  50          HG22      THR  50 -18.629  -5.283  -2.250
  742   HG23  THR  50          HG23      THR  50 -18.777  -4.498  -0.678
  743    H    ASP  51           H        ASP  51 -22.629  -3.908  -0.149
  744    HA   ASP  51           HA       ASP  51 -24.081  -1.594  -1.193
  745    HB2  ASP  51           HB2      ASP  51 -24.532  -3.239   1.319
  746    HB3  ASP  51           HB3      ASP  51 -25.546  -1.899   0.794
  747    H    GLU  52           H        GLU  52 -24.673  -0.210   1.074
  748    HA   GLU  52           HA       GLU  52 -22.173   1.035   1.704
  749    HB2  GLU  52           HB2      GLU  52 -24.840   1.524   3.037
  750    HB3  GLU  52           HB3      GLU  52 -23.457   2.605   2.997
  751    HG2  GLU  52           HG2      GLU  52 -25.363   1.926   0.788
  752    HG3  GLU  52           HG3      GLU  52 -24.967   3.502   1.459
  753    H    ALA  53           H        ALA  53 -23.606  -1.722   2.748
  754    HA   ALA  53           HA       ALA  53 -22.838  -1.605   5.530
  755    HB1  ALA  53           HB1      ALA  53 -23.611  -3.911   5.633
  756    HB2  ALA  53           HB2      ALA  53 -24.808  -2.889   4.837
  757    HB3  ALA  53           HB3      ALA  53 -23.774  -3.950   3.878
  758    H    ALA  54           H        ALA  54 -21.777  -3.467   2.654
  759    HA   ALA  54           HA       ALA  54 -19.510  -4.628   3.839
  760    HB1  ALA  54           HB1      ALA  54 -20.364  -5.418   1.686
  761    HB2  ALA  54           HB2      ALA  54 -19.937  -3.880   0.935
  762    HB3  ALA  54           HB3      ALA  54 -18.668  -4.948   1.538
  763    H    PHE  55           H        PHE  55 -20.062  -1.511   2.366
  764    HA   PHE  55           HA       PHE  55 -17.331  -0.667   2.436
  765    HB2  PHE  55           HB2      PHE  55 -19.945   0.544   1.743
  766    HB3  PHE  55           HB3      PHE  55 -18.655   1.647   2.211
  767    HD1  PHE  55           HD1      PHE  55 -19.629  -0.966  -0.222
  768    HD2  PHE  55           HD2      PHE  55 -16.860   2.114   0.793
  769    HE1  PHE  55           HE1      PHE  55 -18.678  -1.069  -2.487
  770    HE2  PHE  55           HE2      PHE  55 -15.908   2.006  -1.465
  771    HZ   PHE  55           HZ       PHE  55 -16.817   0.415  -3.111
  772    H    GLN  56           H        GLN  56 -20.035  -0.484   4.641
  773    HA   GLN  56           HA       GLN  56 -19.235   1.680   6.205
  774    HB2  GLN  56           HB2      GLN  56 -21.455   0.628   6.359
  775    HB3  GLN  56           HB3      GLN  56 -20.724  -0.794   7.092
  776    HG2  GLN  56           HG2      GLN  56 -20.015   0.537   8.999
  777    HG3  GLN  56           HG3      GLN  56 -20.710   1.979   8.262
  778   HE21  GLN  56          HE21      GLN  56 -21.367  -1.020   9.863
  779   HE22  GLN  56          HE22      GLN  56 -23.037  -0.717  10.191
  780    H    LYS  57           H        LYS  57 -18.447  -1.770   6.544
  781    HA   LYS  57           HA       LYS  57 -16.883  -1.178   8.911
  782    HB2  LYS  57           HB2      LYS  57 -18.359  -3.319   8.359
  783    HB3  LYS  57           HB3      LYS  57 -16.843  -3.886   7.668
  784    HG2  LYS  57           HG2      LYS  57 -16.872  -2.757  10.428
  785    HG3  LYS  57           HG3      LYS  57 -17.441  -4.401  10.150
  786    HD2  LYS  57           HD2      LYS  57 -15.338  -5.108   9.365
  787    HD3  LYS  57           HD3      LYS  57 -14.769  -3.449   9.152
  788    HE2  LYS  57           HE2      LYS  57 -14.434  -3.128  11.405
  789    HE3  LYS  57           HE3      LYS  57 -15.564  -4.409  11.871
  790    HZ1  LYS  57           HZ1      LYS  57 -13.852  -5.959  10.781
  791    HZ2  LYS  57           HZ2      LYS  57 -13.480  -5.304  12.304
  792    HZ3  LYS  57           HZ3      LYS  57 -12.781  -4.645  10.910
  793    H    LEU  58           H        LEU  58 -16.414  -1.696   5.520
  794    HA   LEU  58           HA       LEU  58 -13.635  -1.978   5.410
  795    HB2  LEU  58           HB2      LEU  58 -14.729  -2.051   3.342
  796    HB3  LEU  58           HB3      LEU  58 -15.661  -0.603   3.675
  797    HG   LEU  58           HG       LEU  58 -13.672   0.776   3.372
  798   HD11  LEU  58          HD11      LEU  58 -12.267  -1.825   2.786
  799   HD12  LEU  58          HD12      LEU  58 -11.599  -0.218   2.502
  800   HD13  LEU  58          HD13      LEU  58 -11.974  -0.739   4.143
  801   HD21  LEU  58          HD21      LEU  58 -13.296   0.274   0.929
  802   HD22  LEU  58          HD22      LEU  58 -14.342  -1.128   1.141
  803   HD23  LEU  58          HD23      LEU  58 -14.974   0.493   1.426
  804    H    MET  59           H        MET  59 -15.486   1.021   5.196
  805    HA   MET  59           HA       MET  59 -13.399   2.780   5.740
  806    HB2  MET  59           HB2      MET  59 -15.251   3.813   4.862
  807    HB3  MET  59           HB3      MET  59 -16.371   2.945   5.892
  808    HG2  MET  59           HG2      MET  59 -16.172   4.434   7.593
  809    HG3  MET  59           HG3      MET  59 -14.520   4.873   7.182
  810    HE1  MET  59           HE1      MET  59 -13.979   7.153   6.068
  811    HE2  MET  59           HE2      MET  59 -14.077   5.949   4.780
  812    HE3  MET  59           HE3      MET  59 -14.818   7.532   4.565
  813    H    SER  60           H        SER  60 -15.468   1.009   7.965
  814    HA   SER  60           HA       SER  60 -14.756   2.295  10.348
  815    HB2  SER  60           HB2      SER  60 -16.527   0.516  10.034
  816    HB3  SER  60           HB3      SER  60 -15.214  -0.663   9.989
  817    HG   SER  60           HG       SER  60 -14.644  -0.005  12.116
  818    H    ASN  61           H        ASN  61 -13.283  -0.483   8.705
  819    HA   ASN  61           HA       ASN  61 -11.150  -0.848  10.579
  820    HB2  ASN  61           HB2      ASN  61 -11.686  -1.776   7.774
  821    HB3  ASN  61           HB3      ASN  61 -10.138  -2.086   8.545
  822   HD21  ASN  61          HD21      ASN  61 -12.098  -3.958   7.602
  823   HD22  ASN  61          HD22      ASN  61 -12.549  -4.919   8.965
  824    H    LEU  62           H        LEU  62 -11.554   0.702   7.514
  825    HA   LEU  62           HA       LEU  62  -8.954   1.631   7.040
  826    HB2  LEU  62           HB2      LEU  62 -11.493   1.937   5.893
  827    HB3  LEU  62           HB3      LEU  62 -10.927   3.566   6.218
  828    HG   LEU  62           HG       LEU  62  -8.946   3.202   4.894
  829   HD11  LEU  62          HD11      LEU  62  -8.722   1.040   3.661
  830   HD12  LEU  62          HD12      LEU  62  -8.455   0.936   5.405
  831   HD13  LEU  62          HD13      LEU  62  -9.983   0.390   4.712
  832   HD21  LEU  62          HD21      LEU  62  -9.953   2.847   2.702
  833   HD22  LEU  62          HD22      LEU  62 -11.396   2.184   3.465
  834   HD23  LEU  62          HD23      LEU  62 -10.973   3.878   3.702
  835    H    ASP  63           H        ASP  63 -11.638   3.308   8.604
  836    HA   ASP  63           HA       ASP  63 -10.148   5.676   9.149
  837    HB2  ASP  63           HB2      ASP  63 -12.568   5.681   8.754
  838    HB3  ASP  63           HB3      ASP  63 -12.815   4.691  10.181
  839    H    SER  64           H        SER  64  -8.344   4.960  10.299
  840    HA   SER  64           HA       SER  64  -8.648   3.406  12.709
  841    HB2  SER  64           HB2      SER  64  -6.268   3.301  12.728
  842    HB3  SER  64           HB3      SER  64  -6.723   3.257  11.025
  843    HG   SER  64           HG       SER  64  -6.306   5.531  10.951
  844    H    ASN  65           H        ASN  65  -8.302   6.713  11.801
  845    HA   ASN  65           HA       ASN  65  -7.627   7.642  14.455
  846    HB2  ASN  65           HB2      ASN  65  -7.586   9.835  13.504
  847    HB3  ASN  65           HB3      ASN  65  -6.856   8.758  12.318
  848   HD21  ASN  65          HD21      ASN  65  -8.106   8.148  10.475
  849   HD22  ASN  65          HD22      ASN  65  -9.412   9.151   9.935
  850    H    ARG  66           H        ARG  66 -10.408   6.774  12.778
  851    HA   ARG  66           HA       ARG  66 -12.591   6.677  13.334
  852    HB2  ARG  66           HB2      ARG  66 -11.780   7.706  16.056
  853    HB3  ARG  66           HB3      ARG  66 -13.259   6.850  15.649
  854    HG2  ARG  66           HG2      ARG  66 -10.470   5.716  15.562
  855    HG3  ARG  66           HG3      ARG  66 -11.689   5.394  16.794
  856    HD2  ARG  66           HD2      ARG  66 -11.957   4.721  13.865
  857    HD3  ARG  66           HD3      ARG  66 -11.494   3.581  15.127
  858    HE   ARG  66           HE       ARG  66 -14.069   4.974  15.313
  859   HH11  ARG  66          HH12      ARG  66 -12.248   2.007  14.914
  860   HH12  ARG  66          HH11      ARG  66 -13.631   0.981  15.145
  861   HH21  ARG  66          HH22      ARG  66 -15.894   3.612  15.602
  862   HH22  ARG  66          HH21      ARG  66 -15.701   1.884  15.537
  863    H    ASP  67           H        ASP  67 -12.353   8.633  11.770
  864    HA   ASP  67           HA       ASP  67 -13.933  10.792  13.004
  865    HB2  ASP  67           HB2      ASP  67 -11.568  11.512  12.574
  866    HB3  ASP  67           HB3      ASP  67 -11.856  11.245  10.859
  867    H    ASN  68           H        ASN  68 -13.874   8.344  10.824
  868    HA   ASN  68           HA       ASN  68 -15.199   7.678   9.099
  869    HB2  ASN  68           HB2      ASN  68 -16.802  10.079   9.941
  870    HB3  ASN  68           HB3      ASN  68 -17.247   9.103   8.562
  871   HD21  ASN  68          HD21      ASN  68 -15.742   7.587  11.183
  872   HD22  ASN  68          HD22      ASN  68 -17.131   6.785  11.830
  873    H    GLU  69           H        GLU  69 -13.010   9.752   8.851
  874    HA   GLU  69           HA       GLU  69 -13.514  10.317   6.017
  875    HB2  GLU  69           HB2      GLU  69 -12.386  12.236   8.058
  876    HB3  GLU  69           HB3      GLU  69 -12.179  12.450   6.325
  877    HG2  GLU  69           HG2      GLU  69 -14.638  12.497   6.081
  878    HG3  GLU  69           HG3      GLU  69 -14.778  12.404   7.836
  879    H    VAL  70           H        VAL  70 -12.131   9.052   4.999
  880    HA   VAL  70           HA       VAL  70  -9.745   8.120   6.254
  881    HB   VAL  70           HB       VAL  70 -10.746   7.792   3.431
  882   HG11  VAL  70          HG11      VAL  70  -9.033   6.060   3.173
  883   HG12  VAL  70          HG12      VAL  70  -8.320   7.654   3.421
  884   HG13  VAL  70          HG13      VAL  70  -8.367   6.496   4.748
  885   HG21  VAL  70          HG21      VAL  70 -10.621   5.903   5.772
  886   HG22  VAL  70          HG22      VAL  70 -12.075   6.674   5.137
  887   HG23  VAL  70          HG23      VAL  70 -11.197   5.503   4.155
  888    H    ASP  71           H        ASP  71  -8.332   9.647   6.672
  889    HA   ASP  71           HA       ASP  71  -7.332  11.559   4.826
  890    HB2  ASP  71           HB2      ASP  71  -7.008  11.689   7.294
  891    HB3  ASP  71           HB3      ASP  71  -5.984  10.258   7.218
  892    H    PHE  72           H        PHE  72  -5.003  11.375   3.969
  893    HA   PHE  72           HA       PHE  72  -4.809   9.093   2.346
  894    HB2  PHE  72           HB2      PHE  72  -3.754  11.332   1.877
  895    HB3  PHE  72           HB3      PHE  72  -2.508  10.910   3.053
  896    HD1  PHE  72           HD2      PHE  72  -4.196   8.695   0.640
  897    HD2  PHE  72           HD1      PHE  72  -0.590  10.673   1.717
  898    HE1  PHE  72           HE2      PHE  72  -3.016   7.439  -1.089
  899    HE2  PHE  72           HE1      PHE  72   0.600   9.450  -0.040
  900    HZ   PHE  72           HZ       PHE  72  -0.584   7.795  -1.404
  901    H    GLN  73           H        GLN  73  -3.685   9.755   5.543
  902    HA   GLN  73           HA       GLN  73  -1.764   7.694   5.778
  903    HB2  GLN  73           HB2      GLN  73  -3.587   8.732   7.959
  904    HB3  GLN  73           HB3      GLN  73  -2.074   7.869   8.185
  905    HG2  GLN  73           HG2      GLN  73  -2.466  10.652   7.124
  906    HG3  GLN  73           HG3      GLN  73  -1.677  10.165   8.623
  907   HE21  GLN  73          HE21      GLN  73  -1.384  10.485   5.203
  908   HE22  GLN  73          HE22      GLN  73   0.310  10.170   5.101
  909    H    GLU  74           H        GLU  74  -5.280   7.761   6.165
  910    HA   GLU  74           HA       GLU  74  -5.389   5.016   7.081
  911    HB2  GLU  74           HB2      GLU  74  -7.803   6.470   6.082
  912    HB3  GLU  74           HB3      GLU  74  -7.651   5.374   7.445
  913    HG2  GLU  74           HG2      GLU  74  -6.558   8.170   7.390
  914    HG3  GLU  74           HG3      GLU  74  -8.124   7.733   8.057
  915    H    TYR  75           H        TYR  75  -5.057   6.602   4.179
  916    HA   TYR  75           HA       TYR  75  -6.656   4.791   2.582
  917    HB2  TYR  75           HB2      TYR  75  -6.539   7.255   2.145
  918    HB3  TYR  75           HB3      TYR  75  -4.858   7.046   1.686
  919    HD1  TYR  75           HD1      TYR  75  -4.349   5.497  -0.277
  920    HD2  TYR  75           HD2      TYR  75  -8.257   6.969   0.592
  921    HE1  TYR  75           HE1      TYR  75  -5.039   4.990  -2.592
  922    HE2  TYR  75           HE2      TYR  75  -8.944   6.473  -1.731
  923    HH   TYR  75           HH       TYR  75  -7.058   4.573  -3.851
  924    H    CYS  76           H        CYS  76  -3.247   5.431   3.277
  925    HA   CYS  76           HA       CYS  76  -2.139   3.797   1.266
  926    HB2  CYS  76           HB2      CYS  76  -0.120   3.747   2.608
  927    HB3  CYS  76           HB3      CYS  76  -0.801   5.355   2.660
  928    HG   CYS  76           HG       CYS  76   0.047   3.455   5.136
  929    H    VAL  77           H        VAL  77  -3.215   3.119   4.528
  930    HA   VAL  77           HA       VAL  77  -2.383   0.401   4.508
  931    HB   VAL  77           HB       VAL  77  -3.610   0.204   6.608
  932   HG11  VAL  77          HG11      VAL  77  -1.879   2.618   6.178
  933   HG12  VAL  77          HG12      VAL  77  -2.437   2.136   7.782
  934   HG13  VAL  77          HG13      VAL  77  -1.435   1.036   6.835
  935   HG21  VAL  77          HG21      VAL  77  -5.558   1.580   6.069
  936   HG22  VAL  77          HG22      VAL  77  -4.787   2.130   7.557
  937   HG23  VAL  77          HG23      VAL  77  -4.542   3.022   6.056
  938    H    PHE  78           H        PHE  78  -5.191   2.080   3.401
  939    HA   PHE  78           HA       PHE  78  -7.057   0.045   3.265
  940    HB2  PHE  78           HB2      PHE  78  -7.581   2.338   2.583
  941    HB3  PHE  78           HB3      PHE  78  -6.419   2.243   1.267
  942    HD1  PHE  78           HD1      PHE  78  -9.204  -0.027   2.326
  943    HD2  PHE  78           HD2      PHE  78  -7.442   2.404  -0.682
  944    HE1  PHE  78           HE1      PHE  78 -10.968  -0.709   0.743
  945    HE2  PHE  78           HE2      PHE  78  -9.181   1.736  -2.264
  946    HZ   PHE  78           HZ       PHE  78 -10.957   0.181  -1.554
  947    H    LEU  79           H        LEU  79  -4.701   0.987   0.795
  948    HA   LEU  79           HA       LEU  79  -5.376  -1.231  -0.836
  949    HB2  LEU  79           HB2      LEU  79  -3.187   0.815  -0.996
  950    HB3  LEU  79           HB3      LEU  79  -3.457  -0.417  -2.224
  951    HG   LEU  79           HG       LEU  79  -5.326   1.794  -1.404
  952   HD11  LEU  79          HD11      LEU  79  -3.591   2.454  -2.956
  953   HD12  LEU  79          HD12      LEU  79  -4.001   1.107  -4.018
  954   HD13  LEU  79          HD13      LEU  79  -5.158   2.414  -3.765
  955   HD21  LEU  79          HD21      LEU  79  -6.928   0.831  -2.960
  956   HD22  LEU  79          HD22      LEU  79  -5.833  -0.521  -3.263
  957   HD23  LEU  79          HD23      LEU  79  -6.546  -0.309  -1.663
  958    H    SER  80           H        SER  80  -2.485  -0.514   1.118
  959    HA   SER  80           HA       SER  80  -1.054  -2.738   0.184
  960    HB2  SER  80           HB2      SER  80  -0.842  -1.228   2.784
  961    HB3  SER  80           HB3      SER  80   0.343  -2.402   2.207
  962    HG   SER  80           HG       SER  80   1.164  -0.835   1.109
  963    H    CYS  81           H        CYS  81  -3.482  -2.407   2.658
  964    HA   CYS  81           HA       CYS  81  -3.076  -5.084   3.618
  965    HB2  CYS  81           HB2      CYS  81  -5.184  -3.013   4.161
  966    HB3  CYS  81           HB3      CYS  81  -5.175  -4.611   4.914
  967    HG   CYS  81           HG       CYS  81  -2.787  -2.185   5.247
  968    H    ILE  82           H        ILE  82  -4.807  -3.620   1.021
  969    HA   ILE  82           HA       ILE  82  -6.570  -5.907   0.710
  970    HB   ILE  82           HB       ILE  82  -6.035  -3.862  -1.450
  971   HG12  ILE  82          HG12      ILE  82  -8.110  -3.762   0.746
  972   HG13  ILE  82          HG13      ILE  82  -6.761  -2.648   0.539
  973   HG21  ILE  82          HG21      ILE  82  -8.460  -5.563  -0.862
  974   HG22  ILE  82          HG22      ILE  82  -8.195  -4.546  -2.278
  975   HG23  ILE  82          HG23      ILE  82  -7.202  -5.986  -2.033
  976   HD11  ILE  82          HD11      ILE  82  -8.834  -1.672  -0.242
  977   HD12  ILE  82          HD12      ILE  82  -7.700  -1.894  -1.574
  978   HD13  ILE  82          HD13      ILE  82  -9.052  -3.009  -1.371
  979    H    ALA  83           H        ALA  83  -3.350  -4.892  -0.328
  980    HA   ALA  83           HA       ALA  83  -2.840  -6.909  -2.181
  981    HB1  ALA  83           HB1      ALA  83  -1.068  -5.928   0.044
  982    HB2  ALA  83           HB2      ALA  83  -0.539  -6.844  -1.367
  983    HB3  ALA  83           HB3      ALA  83  -1.204  -5.223  -1.568
  984    H    MET  84           H        MET  84  -2.348  -7.029   1.334
  985    HA   MET  84           HA       MET  84  -1.871  -9.767   1.562
  986    HB2  MET  84           HB2      MET  84  -3.104  -7.815   3.498
  987    HB3  MET  84           HB3      MET  84  -2.768  -9.487   3.925
  988    HG2  MET  84           HG2      MET  84  -0.404  -9.138   3.477
  989    HG3  MET  84           HG3      MET  84  -0.734  -7.465   3.024
  990    HE1  MET  84           HE1      MET  84  -1.418  -5.566   4.719
  991    HE2  MET  84           HE2      MET  84  -2.875  -6.523   4.994
  992    HE3  MET  84           HE3      MET  84  -1.952  -5.901   6.368
  993    H    MET  85           H        MET  85  -4.879  -7.970   1.468
  994    HA   MET  85           HA       MET  85  -6.528 -10.238   1.975
  995    HB2  MET  85           HB2      MET  85  -7.202  -7.867   2.443
  996    HB3  MET  85           HB3      MET  85  -7.284  -7.605   0.699
  997    HG2  MET  85           HG2      MET  85  -8.819  -9.914   1.631
  998    HG3  MET  85           HG3      MET  85  -9.370  -8.355   2.248
  999    HE1  MET  85           HE1      MET  85 -10.650  -6.437  -0.683
 1000    HE2  MET  85           HE2      MET  85 -11.099  -6.958   0.948
 1001    HE3  MET  85           HE3      MET  85  -9.492  -6.256   0.649
 1002    H    CYS  86           H        CYS  86  -5.245  -8.683  -0.918
 1003    HA   CYS  86           HA       CYS  86  -6.755 -10.139  -2.809
 1004    HB2  CYS  86           HB2      CYS  86  -5.503  -8.078  -3.357
 1005    HB3  CYS  86           HB3      CYS  86  -3.991  -8.940  -3.110
 1006    HG   CYS  86           HG       CYS  86  -5.056 -10.864  -5.201
 1007    H    ASN  87           H        ASN  87  -4.113 -11.041  -0.790
 1008    HA   ASN  87           HA       ASN  87  -3.293 -13.324  -2.285
 1009    HB2  ASN  87           HB2      ASN  87  -1.893 -12.451  -0.477
 1010    HB3  ASN  87           HB3      ASN  87  -3.161 -12.790   0.697
 1011   HD21  ASN  87          HD21      ASN  87  -3.513 -14.897   1.374
 1012   HD22  ASN  87          HD22      ASN  87  -2.399 -16.185   1.024
 1013    H    GLU  88           H        GLU  88  -5.731 -12.688   0.161
 1014    HA   GLU  88           HA       GLU  88  -6.690 -15.369   0.353
 1015    HB2  GLU  88           HB2      GLU  88  -8.297 -12.881   0.929
 1016    HB3  GLU  88           HB3      GLU  88  -8.465 -14.472   1.655
 1017    HG2  GLU  88           HG2      GLU  88  -6.176 -12.560   2.076
 1018    HG3  GLU  88           HG3      GLU  88  -7.482 -12.896   3.205
 1019    H    PHE  89           H        PHE  89  -7.520 -12.500  -1.480
 1020    HA   PHE  89           HA       PHE  89  -9.719 -13.789  -2.842
 1021    HB2  PHE  89           HB2      PHE  89  -9.724 -11.349  -2.187
 1022    HB3  PHE  89           HB3      PHE  89  -8.480 -11.085  -3.407
 1023    HD1  PHE  89           HD1      PHE  89 -11.870 -12.608  -3.100
 1024    HD2  PHE  89           HD2      PHE  89  -9.133 -10.400  -5.497
 1025    HE1  PHE  89           HE1      PHE  89 -13.602 -12.344  -4.829
 1026    HE2  PHE  89           HE2      PHE  89 -10.860 -10.131  -7.228
 1027    HZ   PHE  89           HZ       PHE  89 -13.097 -11.106  -6.895
 1028    H    PHE  90           H        PHE  90  -6.524 -14.170  -3.134
 1029    HA   PHE  90           HA       PHE  90  -5.892 -13.741  -5.829
 1030    HB2  PHE  90           HB2      PHE  90  -4.364 -14.430  -3.843
 1031    HB3  PHE  90           HB3      PHE  90  -4.816 -16.078  -4.258
 1032    HD1  PHE  90           HD1      PHE  90  -4.519 -16.633  -6.862
 1033    HD2  PHE  90           HD2      PHE  90  -2.431 -13.599  -4.729
 1034    HE1  PHE  90           HE1      PHE  90  -2.720 -16.697  -8.538
 1035    HE2  PHE  90           HE2      PHE  90  -0.625 -13.657  -6.407
 1036    HZ   PHE  90           HZ       PHE  90  -0.774 -15.209  -8.313
 1037    H    GLU  91           H        GLU  91  -7.149 -16.624  -4.194
 1038    HA   GLU  91           HA       GLU  91  -7.715 -17.890  -6.753
 1039    HB2  GLU  91           HB2      GLU  91  -8.201 -18.863  -3.930
 1040    HB3  GLU  91           HB3      GLU  91  -8.424 -19.813  -5.392
 1041    HG2  GLU  91           HG2      GLU  91  -5.812 -18.676  -4.419
 1042    HG3  GLU  91           HG3      GLU  91  -6.330 -20.354  -4.262
 1043    H    GLY  92           H        GLY  92  -9.131 -15.626  -4.899
 1044    HA2  GLY  92           HA2      GLY  92 -11.182 -14.612  -5.098
 1045    HA3  GLY  92           HA3      GLY  92 -11.617 -15.834  -6.283
 1046    H    PHE  93           H        PHE  93 -10.673 -16.298  -2.881
 1047    HA   PHE  93           HA       PHE  93 -13.392 -17.228  -2.392
 1048    HB2  PHE  93           HB2      PHE  93 -12.616 -19.123  -1.118
 1049    HB3  PHE  93           HB3      PHE  93 -11.891 -19.176  -2.717
 1050    HD1  PHE  93           HD2      PHE  93  -9.486 -18.415  -2.970
 1051    HD2  PHE  93           HD1      PHE  93 -11.303 -19.139   0.810
 1052    HE1  PHE  93           HE2      PHE  93  -7.262 -18.616  -1.940
 1053    HE2  PHE  93           HE1      PHE  93  -9.082 -19.341   1.844
 1054    HZ   PHE  93           HZ       PHE  93  -7.056 -19.080   0.468
 1055    HA   PRO  94           HA       PRO  94 -12.873 -14.763   1.303
 1056    HB2  PRO  94           HB2      PRO  94 -15.677 -14.950   1.742
 1057    HB3  PRO  94           HB3      PRO  94 -14.794 -13.568   1.097
 1058    HG2  PRO  94           HG2      PRO  94 -16.624 -15.135  -0.307
 1059    HG3  PRO  94           HG3      PRO  94 -15.451 -14.019  -1.023
 1060    HD2  PRO  94           HD2      PRO  94 -15.333 -16.983  -0.756
 1061    HD3  PRO  94           HD3      PRO  94 -14.687 -15.934  -2.038
 1062    H    ASP  95           H        ASP  95 -11.835 -16.440   2.399
 1063    HA   ASP  95           HA       ASP  95 -12.794 -18.959   2.961
 1064    HB2  ASP  95           HB2      ASP  95 -10.472 -18.343   3.360
 1065    HB3  ASP  95           HB3      ASP  95 -10.958 -17.288   4.686
 1066    H    LYS  96           H        LYS  96 -14.363 -19.740   4.118
 1067    HA   LYS  96           HA       LYS  96 -15.854 -18.006   5.903
 1068    HB2  LYS  96           HB2      LYS  96 -17.047 -19.448   4.292
 1069    HB3  LYS  96           HB3      LYS  96 -16.353 -20.871   5.056
 1070    HG2  LYS  96           HG2      LYS  96 -17.483 -20.066   7.195
 1071    HG3  LYS  96           HG3      LYS  96 -18.395 -18.970   6.153
 1072    HD2  LYS  96           HD2      LYS  96 -19.144 -20.921   4.829
 1073    HD3  LYS  96           HD3      LYS  96 -18.305 -21.979   5.965
 1074    HE2  LYS  96           HE2      LYS  96 -20.582 -21.954   6.619
 1075    HE3  LYS  96           HE3      LYS  96 -19.711 -20.958   7.787
 1076    HZ1  LYS  96           HZ1      LYS  96 -20.438 -18.985   6.572
 1077    HZ2  LYS  96           HZ2      LYS  96 -21.762 -19.899   7.109
 1078    HZ3  LYS  96           HZ3      LYS  96 -21.296 -19.956   5.478
 1079    H    GLN  97           H        GLN  97 -15.105 -17.816   7.916
 1080    HA   GLN  97           HA       GLN  97 -13.486 -19.658   9.266
 1081    HB2  GLN  97           HB2      GLN  97 -14.087 -18.409  11.308
 1082    HB3  GLN  97           HB3      GLN  97 -13.646 -17.343   9.982
 1083    HG2  GLN  97           HG2      GLN  97 -15.914 -16.757   9.591
 1084    HG3  GLN  97           HG3      GLN  97 -16.489 -18.008  10.690
 1085   HE21  GLN  97          HE21      GLN  97 -17.615 -16.542  11.936
 1086   HE22  GLN  97          HE22      GLN  97 -16.828 -15.430  13.008
 1087    HA   PRO  98           HA       PRO  98 -16.035 -22.975  10.641
 1088    HB2  PRO  98           HB2      PRO  98 -15.370 -22.984  13.354
 1089    HB3  PRO  98           HB3      PRO  98 -14.492 -23.829  12.076
 1090    HG2  PRO  98           HG2      PRO  98 -13.911 -21.198  13.357
 1091    HG3  PRO  98           HG3      PRO  98 -12.787 -22.459  12.816
 1092    HD2  PRO  98           HD2      PRO  98 -13.149 -20.231  11.389
 1093    HD3  PRO  98           HD3      PRO  98 -12.932 -21.802  10.590
 1094    H    ARG  99           H        ARG  99 -18.156 -22.940  10.998
 1095    HA   ARG  99           HA       ARG  99 -19.433 -20.685  12.182
 1096    HB2  ARG  99           HB2      ARG  99 -20.474 -21.935  10.349
 1097    HB3  ARG  99           HB3      ARG  99 -20.571 -23.366  11.366
 1098    HG2  ARG  99           HG2      ARG  99 -22.105 -22.216  12.864
 1099    HG3  ARG  99           HG3      ARG  99 -21.987 -20.758  11.876
 1100    HD2  ARG  99           HD2      ARG  99 -22.974 -21.911   9.996
 1101    HD3  ARG  99           HD3      ARG  99 -22.993 -23.427  10.896
 1102    HE   ARG  99           HE       ARG  99 -24.418 -21.564  12.391
 1103   HH11  ARG  99          HH12      ARG  99 -24.674 -23.085   9.242
 1104   HH12  ARG  99          HH11      ARG  99 -26.411 -23.106   9.250
 1105   HH21  ARG  99          HH22      ARG  99 -26.706 -21.564  12.402
 1106   HH22  ARG  99          HH21      ARG  99 -27.571 -22.204  11.032
 1107    H    LYS 100           H        LYS 100 -19.032 -20.408  14.295
 1108    HA   LYS 100           HA       LYS 100 -19.915 -22.535  16.114
 1109    HB2  LYS 100           HB2      LYS 100 -17.459 -20.809  16.494
 1110    HB3  LYS 100           HB3      LYS 100 -18.097 -21.942  17.677
 1111    HG2  LYS 100           HG2      LYS 100 -17.708 -23.773  16.033
 1112    HG3  LYS 100           HG3      LYS 100 -16.912 -22.593  14.990
 1113    HD2  LYS 100           HD2      LYS 100 -15.314 -22.114  16.814
 1114    HD3  LYS 100           HD3      LYS 100 -16.082 -23.372  17.785
 1115    HE2  LYS 100           HE2      LYS 100 -15.534 -25.007  16.005
 1116    HE3  LYS 100           HE3      LYS 100 -14.667 -23.734  15.149
 1117    HZ1  LYS 100           HZ1      LYS 100 -13.316 -23.493  17.254
 1118    HZ2  LYS 100           HZ2      LYS 100 -13.049 -24.896  16.346
 1119    HZ3  LYS 100           HZ3      LYS 100 -13.994 -24.971  17.754
 1120    H    LYS 101           H        LYS 101 -21.514 -21.837  17.327
 1121    HA   LYS 101           HA       LYS 101 -21.466 -19.089  18.338
 1122    HB2  LYS 101           HB2      LYS 101 -23.756 -20.399  16.880
 1123    HB3  LYS 101           HB3      LYS 101 -23.998 -19.042  17.970
 1124    HG2  LYS 101           HG2      LYS 101 -22.266 -19.023  15.507
 1125    HG3  LYS 101           HG3      LYS 101 -23.885 -18.333  15.640
 1126    HD2  LYS 101           HD2      LYS 101 -23.043 -16.850  17.446
 1127    HD3  LYS 101           HD3      LYS 101 -21.420 -17.477  17.152
 1128    HE2  LYS 101           HE2      LYS 101 -21.725 -15.358  16.012
 1129    HE3  LYS 101           HE3      LYS 101 -21.543 -16.663  14.840
 1130    HZ1  LYS 101           HZ1      LYS 101 -23.340 -15.058  14.309
 1131    HZ2  LYS 101           HZ2      LYS 101 -24.166 -15.568  15.702
 1132    HZ3  LYS 101           HZ3      LYS 101 -23.880 -16.662  14.440
 1133    H    MET   1           H1       MET   1  -3.848   1.966 -21.041
 1134    HA   MET   1           HA       MET   1  -1.987   1.414 -19.620
 1135    HB2  MET   1           HB2      MET   1  -3.416   3.248 -17.683
 1136    HB3  MET   1           HB3      MET   1  -2.180   2.101 -17.196
 1137    HG2  MET   1           HG2      MET   1  -1.128   4.195 -17.361
 1138    HG3  MET   1           HG3      MET   1  -0.616   3.271 -18.771
 1139    HE1  MET   1           HE1      MET   1   0.264   5.561 -19.817
 1140    HE2  MET   1           HE2      MET   1  -0.751   6.984 -20.048
 1141    HE3  MET   1           HE3      MET   1  -0.327   6.459 -18.419
 1142    H    ALA   2           H        ALA   2  -2.523   0.343 -17.196
 1143    HA   ALA   2           HA       ALA   2  -4.753  -1.461 -17.744
 1144    HB1  ALA   2           HB1      ALA   2  -3.834  -2.801 -15.911
 1145    HB2  ALA   2           HB2      ALA   2  -2.583  -2.439 -17.101
 1146    HB3  ALA   2           HB3      ALA   2  -2.639  -1.546 -15.581
 1147    H    CYS   3           H        CYS   3  -6.090  -2.028 -15.693
 1148    HA   CYS   3           HA       CYS   3  -7.341   0.236 -14.621
 1149    HB2  CYS   3           HB2      CYS   3  -7.255  -2.543 -13.420
 1150    HB3  CYS   3           HB3      CYS   3  -8.471  -1.305 -13.118
 1151    HG   CYS   3           HG       CYS   3  -9.139  -3.624 -14.900
 1152    HA   PRO   4           HA       PRO   4  -3.660   1.388 -12.443
 1153    HB2  PRO   4           HB2      PRO   4  -5.552   3.335 -11.227
 1154    HB3  PRO   4           HB3      PRO   4  -3.978   3.626 -11.976
 1155    HG2  PRO   4           HG2      PRO   4  -6.160   4.240 -13.307
 1156    HG3  PRO   4           HG3      PRO   4  -4.848   3.382 -14.146
 1157    HD2  PRO   4           HD2      PRO   4  -7.416   2.290 -13.039
 1158    HD3  PRO   4           HD3      PRO   4  -6.629   1.951 -14.596
 1159    H    LEU   5           H        LEU   5  -6.508   1.884 -10.345
 1160    HA   LEU   5           HA       LEU   5  -5.079   1.264  -7.990
 1161    HB2  LEU   5           HB2      LEU   5  -7.467   2.440  -8.570
 1162    HB3  LEU   5           HB3      LEU   5  -8.001   0.895  -7.943
 1163    HG   LEU   5           HG       LEU   5  -7.973   2.624  -6.212
 1164   HD11  LEU   5          HD11      LEU   5  -6.609   1.436  -4.548
 1165   HD12  LEU   5          HD12      LEU   5  -7.655   0.370  -5.497
 1166   HD13  LEU   5          HD13      LEU   5  -5.930   0.458  -5.853
 1167   HD21  LEU   5          HD21      LEU   5  -5.007   2.720  -6.713
 1168   HD22  LEU   5          HD22      LEU   5  -6.167   4.008  -7.038
 1169   HD23  LEU   5          HD23      LEU   5  -5.858   3.501  -5.377
 1170    H    GLU   6           H        GLU   6  -6.920  -0.660 -10.238
 1171    HA   GLU   6           HA       GLU   6  -7.324  -2.927  -8.620
 1172    HB2  GLU   6           HB2      GLU   6  -8.561  -2.553 -10.699
 1173    HB3  GLU   6           HB3      GLU   6  -7.079  -2.727 -11.626
 1174    HG2  GLU   6           HG2      GLU   6  -7.700  -5.009  -9.896
 1175    HG3  GLU   6           HG3      GLU   6  -8.882  -4.704 -11.166
 1176    H    LYS   7           H        LYS   7  -4.710  -2.033 -10.852
 1177    HA   LYS   7           HA       LYS   7  -3.331  -4.487 -10.584
 1178    HB2  LYS   7           HB2      LYS   7  -2.187  -1.794 -11.365
 1179    HB3  LYS   7           HB3      LYS   7  -1.410  -3.352 -11.603
 1180    HG2  LYS   7           HG2      LYS   7  -3.711  -2.131 -13.053
 1181    HG3  LYS   7           HG3      LYS   7  -2.260  -2.899 -13.693
 1182    HD2  LYS   7           HD2      LYS   7  -4.600  -4.281 -12.383
 1183    HD3  LYS   7           HD3      LYS   7  -4.205  -4.293 -14.099
 1184    HE2  LYS   7           HE2      LYS   7  -2.257  -5.589 -13.733
 1185    HE3  LYS   7           HE3      LYS   7  -2.339  -5.344 -11.988
 1186    HZ1  LYS   7           HZ1      LYS   7  -3.152  -7.496 -12.388
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.133  -6.990 -13.675
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.531  -6.549 -12.088
 1189    H    ALA   8           H        ALA   8  -3.303  -1.504  -8.778
 1190    HA   ALA   8           HA       ALA   8  -0.964  -1.600  -7.385
 1191    HB1  ALA   8           HB1      ALA   8  -2.605   0.194  -7.154
 1192    HB2  ALA   8           HB2      ALA   8  -3.647  -0.879  -6.219
 1193    HB3  ALA   8           HB3      ALA   8  -2.072  -0.406  -5.584
 1194    H    LEU   9           H        LEU   9  -3.964  -3.313  -6.425
 1195    HA   LEU   9           HA       LEU   9  -2.621  -4.560  -4.204
 1196    HB2  LEU   9           HB2      LEU   9  -5.304  -5.327  -5.360
 1197    HB3  LEU   9           HB3      LEU   9  -4.676  -5.752  -3.789
 1198    HG   LEU   9           HG       LEU   9  -6.163  -4.079  -3.263
 1199   HD11  LEU   9          HD11      LEU   9  -4.890  -2.093  -2.677
 1200   HD12  LEU   9          HD12      LEU   9  -4.003  -3.573  -2.310
 1201   HD13  LEU   9          HD13      LEU   9  -3.578  -2.621  -3.732
 1202   HD21  LEU   9          HD21      LEU   9  -6.525  -2.042  -4.513
 1203   HD22  LEU   9          HD22      LEU   9  -5.241  -2.480  -5.642
 1204   HD23  LEU   9          HD23      LEU   9  -6.717  -3.444  -5.565
 1205    H    ASP  10           H        ASP  10  -3.657  -5.522  -7.418
 1206    HA   ASP  10           HA       ASP  10  -3.166  -8.268  -7.272
 1207    HB2  ASP  10           HB2      ASP  10  -4.371  -7.509  -9.143
 1208    HB3  ASP  10           HB3      ASP  10  -3.170  -6.284  -9.533
 1209    H    VAL  11           H        VAL  11  -1.006  -5.634  -8.245
 1210    HA   VAL  11           HA       VAL  11   1.114  -7.398  -8.964
 1211    HB   VAL  11           HB       VAL  11   2.449  -5.456  -9.335
 1212   HG11  VAL  11          HG11      VAL  11   1.035  -4.204 -10.861
 1213   HG12  VAL  11          HG12      VAL  11   0.671  -5.927 -10.957
 1214   HG13  VAL  11          HG13      VAL  11  -0.409  -4.845 -10.076
 1215   HG21  VAL  11          HG21      VAL  11   1.728  -3.207  -8.675
 1216   HG22  VAL  11          HG22      VAL  11   0.344  -3.902  -7.830
 1217   HG23  VAL  11          HG23      VAL  11   1.983  -4.248  -7.276
 1218    H    MET  12           H        MET  12   0.136  -5.904  -5.980
 1219    HA   MET  12           HA       MET  12   2.577  -5.899  -4.614
 1220    HB2  MET  12           HB2      MET  12  -0.214  -6.365  -3.593
 1221    HB3  MET  12           HB3      MET  12   1.189  -6.282  -2.538
 1222    HG2  MET  12           HG2      MET  12   1.488  -3.987  -3.921
 1223    HG3  MET  12           HG3      MET  12  -0.268  -4.150  -3.930
 1224    HE1  MET  12           HE1      MET  12   0.695  -1.738  -2.834
 1225    HE2  MET  12           HE2      MET  12  -0.947  -2.095  -2.248
 1226    HE3  MET  12           HE3      MET  12   0.307  -1.568  -1.115
 1227    H    VAL  13           H        VAL  13   0.198  -8.499  -5.050
 1228    HA   VAL  13           HA       VAL  13   1.941 -10.340  -3.625
 1229    HB   VAL  13           HB       VAL  13   0.188 -12.022  -3.959
 1230   HG11  VAL  13          HG11      VAL  13   0.083 -10.562  -2.015
 1231   HG12  VAL  13          HG12      VAL  13  -0.863  -9.391  -2.933
 1232   HG13  VAL  13          HG13      VAL  13  -1.536 -10.981  -2.574
 1233   HG21  VAL  13          HG21      VAL  13  -1.291  -9.843  -5.424
 1234   HG22  VAL  13          HG22      VAL  13  -0.663 -11.335  -6.124
 1235   HG23  VAL  13          HG23      VAL  13  -1.970 -11.399  -4.939
 1236    H    SER  14           H        SER  14   1.152  -9.464  -6.884
 1237    HA   SER  14           HA       SER  14   2.103 -11.820  -8.152
 1238    HB2  SER  14           HB2      SER  14   0.636 -10.204  -9.300
 1239    HB3  SER  14           HB3      SER  14   1.916  -8.994  -9.235
 1240    HG   SER  14           HG       SER  14   2.199 -11.524 -10.504
 1241    H    THR  15           H        THR  15   3.594  -8.599  -7.782
 1242    HA   THR  15           HA       THR  15   6.148  -9.431  -8.698
 1243    HB   THR  15           HB       THR  15   5.471  -7.010  -7.012
 1244    HG1  THR  15           HG1      THR  15   5.613  -6.219  -9.457
 1245   HG21  THR  15          HG21      THR  15   7.423  -6.006  -8.046
 1246   HG22  THR  15          HG22      THR  15   7.697  -7.458  -9.007
 1247   HG23  THR  15          HG23      THR  15   7.888  -7.511  -7.257
 1248    H    PHE  16           H        PHE  16   4.565  -9.369  -5.623
 1249    HA   PHE  16           HA       PHE  16   6.568  -9.696  -3.773
 1250    HB2  PHE  16           HB2      PHE  16   4.186  -9.566  -3.231
 1251    HB3  PHE  16           HB3      PHE  16   3.913 -11.132  -3.974
 1252    HD1  PHE  16           HD2      PHE  16   5.745  -9.482  -1.201
 1253    HD2  PHE  16           HD1      PHE  16   3.976 -13.048  -2.698
 1254    HE1  PHE  16           HE2      PHE  16   6.059 -10.553   0.990
 1255    HE2  PHE  16           HE1      PHE  16   4.282 -14.122  -0.509
 1256    HZ   PHE  16           HZ       PHE  16   5.324 -12.875   1.336
 1257    H    HIS  17           H        HIS  17   5.174 -12.101  -5.945
 1258    HA   HIS  17           HA       HIS  17   6.666 -14.295  -4.863
 1259    HB2  HIS  17           HB2      HIS  17   4.860 -13.913  -7.227
 1260    HB3  HIS  17           HB3      HIS  17   5.842 -15.367  -7.105
 1261    HD1  HIS  17           HD1      HIS  17   4.514 -17.222  -6.239
 1262    HD2  HIS  17           HD2      HIS  17   3.384 -13.606  -4.517
 1263    HE1  HIS  17           HE1      HIS  17   2.663 -17.782  -4.632
 1264    HE2  HIS  17           HE2      HIS  17   2.124 -15.615  -3.472
 1265    H    LYS  18           H        LYS  18   7.287 -11.897  -7.278
 1266    HA   LYS  18           HA       LYS  18   8.855 -13.481  -9.034
 1267    HB2  LYS  18           HB2      LYS  18   8.948 -10.482  -8.700
 1268    HB3  LYS  18           HB3      LYS  18   9.495 -11.402 -10.093
 1269    HG2  LYS  18           HG2      LYS  18   7.199 -12.071 -10.560
 1270    HG3  LYS  18           HG3      LYS  18   6.650 -11.157  -9.151
 1271    HD2  LYS  18           HD2      LYS  18   7.699  -9.124 -10.193
 1272    HD3  LYS  18           HD3      LYS  18   7.938 -10.087 -11.653
 1273    HE2  LYS  18           HE2      LYS  18   5.543 -10.465 -11.814
 1274    HE3  LYS  18           HE3      LYS  18   5.286  -9.554 -10.327
 1275    HZ1  LYS  18           HZ1      LYS  18   6.249  -8.529 -12.932
 1276    HZ2  LYS  18           HZ2      LYS  18   6.334  -7.619 -11.506
 1277    HZ3  LYS  18           HZ3      LYS  18   4.823  -8.110 -12.115
 1278    H    TYR  19           H        TYR  19   9.841 -10.970  -6.685
 1279    HA   TYR  19           HA       TYR  19  12.604 -11.616  -7.354
 1280    HB2  TYR  19           HB2      TYR  19  11.437  -9.244  -5.899
 1281    HB3  TYR  19           HB3      TYR  19  13.142  -9.448  -6.305
 1282    HD1  TYR  19           HD2      TYR  19  13.799  -9.602  -8.726
 1283    HD2  TYR  19           HD1      TYR  19   9.902  -8.424  -7.506
 1284    HE1  TYR  19           HE2      TYR  19  13.392  -8.665 -10.957
 1285    HE2  TYR  19           HE1      TYR  19   9.479  -7.489  -9.739
 1286    HH   TYR  19           HH       TYR  19  10.653  -6.703 -11.665
 1287    H    SER  20           H        SER  20  10.426 -12.308  -4.902
 1288    HA   SER  20           HA       SER  20  12.345 -12.485  -2.772
 1289    HB2  SER  20           HB2      SER  20  10.501 -13.774  -1.645
 1290    HB3  SER  20           HB3      SER  20  10.014 -12.174  -2.208
 1291    HG   SER  20           HG       SER  20   8.519 -13.172  -3.275
 1292    H    GLY  21           H        GLY  21  10.558 -14.859  -4.722
 1293    HA2  GLY  21           HA2      GLY  21  12.113 -17.081  -3.885
 1294    HA3  GLY  21           HA3      GLY  21  11.006 -17.048  -5.247
 1295    H    LYS  22           H        LYS  22  13.147 -14.561  -5.684
 1296    HA   LYS  22           HA       LYS  22  14.630 -16.015  -7.682
 1297    HB2  LYS  22           HB2      LYS  22  13.933 -13.678  -8.077
 1298    HB3  LYS  22           HB3      LYS  22  14.939 -13.155  -6.731
 1299    HG2  LYS  22           HG2      LYS  22  16.926 -13.977  -7.919
 1300    HG3  LYS  22           HG3      LYS  22  15.904 -14.442  -9.278
 1301    HD2  LYS  22           HD2      LYS  22  15.227 -12.088  -9.543
 1302    HD3  LYS  22           HD3      LYS  22  16.307 -11.645  -8.217
 1303    HE2  LYS  22           HE2      LYS  22  18.215 -12.500  -9.483
 1304    HE3  LYS  22           HE3      LYS  22  17.139 -12.952 -10.805
 1305    HZ1  LYS  22           HZ1      LYS  22  18.166 -10.892 -11.344
 1306    HZ2  LYS  22           HZ2      LYS  22  17.750 -10.205  -9.851
 1307    HZ3  LYS  22           HZ3      LYS  22  16.540 -10.565 -10.986
 1308    H    GLU  23           H        GLU  23  15.183 -14.671  -4.487
 1309    HA   GLU  23           HA       GLU  23  17.982 -15.545  -4.583
 1310    HB2  GLU  23           HB2      GLU  23  16.560 -13.800  -2.566
 1311    HB3  GLU  23           HB3      GLU  23  18.272 -14.194  -2.546
 1312    HG2  GLU  23           HG2      GLU  23  16.919 -12.727  -4.795
 1313    HG3  GLU  23           HG3      GLU  23  17.715 -11.934  -3.437
 1314    H    GLY  24           H        GLY  24  15.166 -15.657  -2.357
 1315    HA2  GLY  24           HA2      GLY  24  16.132 -18.299  -1.484
 1316    HA3  GLY  24           HA3      GLY  24  15.799 -17.059  -0.288
 1317    H    ASP  25           H        ASP  25  13.630 -16.450   0.118
 1318    HA   ASP  25           HA       ASP  25  11.811 -18.684  -0.473
 1319    HB2  ASP  25           HB2      ASP  25  12.381 -18.126   1.923
 1320    HB3  ASP  25           HB3      ASP  25  11.523 -16.603   1.701
 1321    H    LYS  26           H        LYS  26   9.664 -18.304  -1.106
 1322    HA   LYS  26           HA       LYS  26   9.443 -16.015  -2.839
 1323    HB2  LYS  26           HB2      LYS  26   7.175 -17.138  -3.403
 1324    HB3  LYS  26           HB3      LYS  26   8.666 -17.889  -3.925
 1325    HG2  LYS  26           HG2      LYS  26   7.040 -19.511  -3.077
 1326    HG3  LYS  26           HG3      LYS  26   8.531 -19.518  -2.145
 1327    HD2  LYS  26           HD2      LYS  26   6.708 -19.682  -0.614
 1328    HD3  LYS  26           HD3      LYS  26   7.381 -18.060  -0.460
 1329    HE2  LYS  26           HE2      LYS  26   4.980 -17.924  -0.445
 1330    HE3  LYS  26           HE3      LYS  26   5.578 -17.225  -1.947
 1331    HZ1  LYS  26           HZ1      LYS  26   3.631 -18.692  -2.239
 1332    HZ2  LYS  26           HZ2      LYS  26   4.555 -20.000  -1.680
 1333    HZ3  LYS  26           HZ3      LYS  26   4.984 -19.212  -3.120
 1334    H    PHE  27           H        PHE  27   8.689 -16.415   0.351
 1335    HA   PHE  27           HA       PHE  27   6.439 -14.510   0.189
 1336    HB2  PHE  27           HB2      PHE  27   5.962 -16.842   1.049
 1337    HB3  PHE  27           HB3      PHE  27   7.069 -16.516   2.376
 1338    HD1  PHE  27           HD2      PHE  27   6.491 -14.909   4.090
 1339    HD2  PHE  27           HD1      PHE  27   3.791 -15.937   0.989
 1340    HE1  PHE  27           HE2      PHE  27   4.638 -13.951   5.407
 1341    HE2  PHE  27           HE1      PHE  27   1.920 -14.988   2.288
 1342    HZ   PHE  27           HZ       PHE  27   2.346 -13.990   4.502
 1343    H    LYS  28           H        LYS  28   9.639 -14.941   1.099
 1344    HA   LYS  28           HA       LYS  28   9.447 -12.643   2.920
 1345    HB2  LYS  28           HB2      LYS  28  11.468 -14.890   3.012
 1346    HB3  LYS  28           HB3      LYS  28  11.481 -13.471   4.048
 1347    HG2  LYS  28           HG2      LYS  28   9.479 -15.709   4.009
 1348    HG3  LYS  28           HG3      LYS  28  10.570 -15.242   5.315
 1349    HD2  LYS  28           HD2      LYS  28   9.364 -13.062   5.449
 1350    HD3  LYS  28           HD3      LYS  28   8.209 -13.686   4.268
 1351    HE2  LYS  28           HE2      LYS  28   7.240 -14.011   6.397
 1352    HE3  LYS  28           HE3      LYS  28   7.790 -15.592   5.842
 1353    HZ1  LYS  28           HZ1      LYS  28   8.392 -15.323   8.117
 1354    HZ2  LYS  28           HZ2      LYS  28   9.131 -13.827   7.818
 1355    HZ3  LYS  28           HZ3      LYS  28   9.820 -15.249   7.204
 1356    H    LEU  29           H        LEU  29  10.456 -10.885   2.262
 1357    HA   LEU  29           HA       LEU  29  12.565 -11.215   0.247
 1358    HB2  LEU  29           HB2      LEU  29  10.705  -8.905   0.750
 1359    HB3  LEU  29           HB3      LEU  29  12.148  -8.757  -0.234
 1360    HG   LEU  29           HG       LEU  29  11.068 -10.813  -1.509
 1361   HD11  LEU  29          HD11      LEU  29   8.685  -9.398  -0.354
 1362   HD12  LEU  29          HD12      LEU  29   8.644 -10.610  -1.627
 1363   HD13  LEU  29          HD13      LEU  29   9.174 -11.052  -0.003
 1364   HD21  LEU  29          HD21      LEU  29  11.651  -8.684  -2.512
 1365   HD22  LEU  29          HD22      LEU  29  10.063  -9.216  -3.068
 1366   HD23  LEU  29          HD23      LEU  29  10.192  -7.950  -1.845
 1367    H    ASN  30           H        ASN  30  14.426 -11.289   1.261
 1368    HA   ASN  30           HA       ASN  30  15.018  -9.556   3.502
 1369    HB2  ASN  30           HB2      ASN  30  17.034 -10.714   3.712
 1370    HB3  ASN  30           HB3      ASN  30  15.977 -11.944   3.033
 1371   HD21  ASN  30          HD21      ASN  30  16.250 -12.553   0.871
 1372   HD22  ASN  30          HD22      ASN  30  17.729 -12.224   0.028
 1373    H    LYS  31           H        LYS  31  17.449  -8.546   3.118
 1374    HA   LYS  31           HA       LYS  31  17.098  -6.207   1.780
 1375    HB2  LYS  31           HB2      LYS  31  19.707  -7.696   2.157
 1376    HB3  LYS  31           HB3      LYS  31  19.574  -5.994   1.740
 1377    HG2  LYS  31           HG2      LYS  31  18.469  -5.542   3.854
 1378    HG3  LYS  31           HG3      LYS  31  18.537  -7.257   4.266
 1379    HD2  LYS  31           HD2      LYS  31  20.974  -7.181   4.222
 1380    HD3  LYS  31           HD3      LYS  31  20.920  -5.473   3.779
 1381    HE2  LYS  31           HE2      LYS  31  19.820  -4.950   5.889
 1382    HE3  LYS  31           HE3      LYS  31  19.829  -6.658   6.330
 1383    HZ1  LYS  31           HZ1      LYS  31  22.228  -6.631   6.344
 1384    HZ2  LYS  31           HZ2      LYS  31  21.641  -5.414   7.373
 1385    HZ3  LYS  31           HZ3      LYS  31  22.256  -5.013   5.842
 1386    H    SER  32           H        SER  32  18.574  -9.172   0.429
 1387    HA   SER  32           HA       SER  32  19.265  -7.914  -2.053
 1388    HB2  SER  32           HB2      SER  32  20.486  -9.868  -1.047
 1389    HB3  SER  32           HB3      SER  32  19.104 -10.878  -1.461
 1390    HG   SER  32           HG       SER  32  20.036 -11.088  -3.333
 1391    H    GLU  33           H        GLU  33  16.480  -9.637  -0.878
 1392    HA   GLU  33           HA       GLU  33  15.445 -10.230  -3.502
 1393    HB2  GLU  33           HB2      GLU  33  14.303 -10.534  -0.723
 1394    HB3  GLU  33           HB3      GLU  33  13.430 -11.000  -2.182
 1395    HG2  GLU  33           HG2      GLU  33  14.921 -12.706  -2.681
 1396    HG3  GLU  33           HG3      GLU  33  16.177 -12.044  -1.650
 1397    H    LEU  34           H        LEU  34  14.767  -7.926  -0.908
 1398    HA   LEU  34           HA       LEU  34  12.705  -6.538  -2.284
 1399    HB2  LEU  34           HB2      LEU  34  14.508  -5.936   0.016
 1400    HB3  LEU  34           HB3      LEU  34  13.600  -4.629  -0.718
 1401    HG   LEU  34           HG       LEU  34  12.268  -7.126   0.306
 1402   HD11  LEU  34          HD11      LEU  34  11.732  -5.817   2.310
 1403   HD12  LEU  34          HD12      LEU  34  13.466  -6.091   2.146
 1404   HD13  LEU  34          HD13      LEU  34  12.781  -4.520   1.735
 1405   HD21  LEU  34          HD21      LEU  34  10.972  -5.852  -1.274
 1406   HD22  LEU  34          HD22      LEU  34  10.314  -5.613   0.345
 1407   HD23  LEU  34          HD23      LEU  34  11.305  -4.356  -0.400
 1408    H    LYS  35           H        LYS  35  16.182  -6.310  -2.217
 1409    HA   LYS  35           HA       LYS  35  16.670  -3.948  -3.498
 1410    HB2  LYS  35           HB2      LYS  35  18.418  -5.401  -2.627
 1411    HB3  LYS  35           HB3      LYS  35  18.073  -6.594  -3.869
 1412    HG2  LYS  35           HG2      LYS  35  18.932  -5.229  -5.572
 1413    HG3  LYS  35           HG3      LYS  35  18.958  -3.804  -4.521
 1414    HD2  LYS  35           HD2      LYS  35  20.655  -4.901  -3.116
 1415    HD3  LYS  35           HD3      LYS  35  20.662  -6.278  -4.222
 1416    HE2  LYS  35           HE2      LYS  35  21.405  -4.836  -6.029
 1417    HE3  LYS  35           HE3      LYS  35  21.341  -3.437  -4.958
 1418    HZ1  LYS  35           HZ1      LYS  35  23.587  -4.227  -5.156
 1419    HZ2  LYS  35           HZ2      LYS  35  23.131  -5.789  -4.676
 1420    HZ3  LYS  35           HZ3      LYS  35  23.042  -4.503  -3.573
 1421    H    GLU  36           H        GLU  36  16.322  -7.102  -5.150
 1422    HA   GLU  36           HA       GLU  36  16.356  -5.966  -7.738
 1423    HB2  GLU  36           HB2      GLU  36  16.653  -8.453  -6.880
 1424    HB3  GLU  36           HB3      GLU  36  14.937  -8.525  -7.248
 1425    HG2  GLU  36           HG2      GLU  36  16.086  -9.285  -9.162
 1426    HG3  GLU  36           HG3      GLU  36  15.460  -7.684  -9.533
 1427    H    LEU  37           H        LEU  37  13.828  -6.576  -5.445
 1428    HA   LEU  37           HA       LEU  37  11.547  -6.290  -7.026
 1429    HB2  LEU  37           HB2      LEU  37  11.708  -6.836  -4.543
 1430    HB3  LEU  37           HB3      LEU  37  11.916  -5.114  -4.274
 1431    HG   LEU  37           HG       LEU  37   9.662  -4.934  -5.601
 1432   HD11  LEU  37          HD11      LEU  37   9.584  -7.304  -6.198
 1433   HD12  LEU  37          HD12      LEU  37   9.515  -7.731  -4.488
 1434   HD13  LEU  37          HD13      LEU  37   8.193  -6.826  -5.226
 1435   HD21  LEU  37          HD21      LEU  37   9.826  -5.902  -2.750
 1436   HD22  LEU  37          HD22      LEU  37   9.991  -4.232  -3.295
 1437   HD23  LEU  37          HD23      LEU  37   8.451  -5.071  -3.479
 1438    H    LEU  38           H        LEU  38  13.307  -3.830  -5.187
 1439    HA   LEU  38           HA       LEU  38  11.786  -1.685  -6.286
 1440    HB2  LEU  38           HB2      LEU  38  14.153  -1.861  -4.460
 1441    HB3  LEU  38           HB3      LEU  38  13.605  -0.312  -5.079
 1442    HG   LEU  38           HG       LEU  38  11.314  -1.582  -4.041
 1443   HD11  LEU  38          HD11      LEU  38  12.711  -3.141  -2.836
 1444   HD12  LEU  38          HD12      LEU  38  13.669  -1.813  -2.179
 1445   HD13  LEU  38          HD13      LEU  38  11.977  -1.992  -1.713
 1446   HD21  LEU  38          HD21      LEU  38  13.058   0.584  -2.873
 1447   HD22  LEU  38          HD22      LEU  38  11.774   0.819  -4.058
 1448   HD23  LEU  38          HD23      LEU  38  11.382   0.259  -2.431
 1449    H    THR  39           H        THR  39  14.860  -3.177  -7.116
 1450    HA   THR  39           HA       THR  39  15.910  -1.015  -8.611
 1451    HB   THR  39           HB       THR  39  17.300  -2.725  -9.779
 1452    HG1  THR  39           HG1      THR  39  17.063  -4.900  -9.161
 1453   HG21  THR  39          HG21      THR  39  17.175  -3.053  -6.783
 1454   HG22  THR  39          HG22      THR  39  18.035  -1.772  -7.642
 1455   HG23  THR  39          HG23      THR  39  18.548  -3.452  -7.816
 1456    H    ARG  40           H        ARG  40  13.768  -3.668  -9.431
 1457    HA   ARG  40           HA       ARG  40  13.863  -3.008 -12.251
 1458    HB2  ARG  40           HB2      ARG  40  12.370  -5.148 -10.741
 1459    HB3  ARG  40           HB3      ARG  40  12.356  -4.972 -12.491
 1460    HG2  ARG  40           HG2      ARG  40  14.708  -5.642 -10.738
 1461    HG3  ARG  40           HG3      ARG  40  13.902  -6.695 -11.902
 1462    HD2  ARG  40           HD2      ARG  40  15.563  -4.249 -12.463
 1463    HD3  ARG  40           HD3      ARG  40  15.919  -5.919 -12.901
 1464    HE   ARG  40           HE       ARG  40  13.681  -5.592 -14.251
 1465   HH11  ARG  40          HH12      ARG  40  16.355  -3.347 -13.876
 1466   HH12  ARG  40          HH11      ARG  40  16.055  -2.552 -15.393
 1467   HH21  ARG  40          HH22      ARG  40  13.302  -4.556 -16.243
 1468   HH22  ARG  40          HH21      ARG  40  14.329  -3.246 -16.749
 1469    H    GLU  41           H        GLU  41  11.264  -3.326  -9.805
 1470    HA   GLU  41           HA       GLU  41   9.522  -1.959 -11.713
 1471    HB2  GLU  41           HB2      GLU  41   9.028  -3.953  -9.563
 1472    HB3  GLU  41           HB3      GLU  41   7.730  -2.844  -9.998
 1473    HG2  GLU  41           HG2      GLU  41   7.792  -3.578 -12.288
 1474    HG3  GLU  41           HG3      GLU  41   9.206  -4.582 -11.962
 1475    H    LEU  42           H        LEU  42  11.211  -1.218  -8.876
 1476    HA   LEU  42           HA       LEU  42   9.460   1.146  -8.583
 1477    HB2  LEU  42           HB2      LEU  42  11.077  -0.189  -6.408
 1478    HB3  LEU  42           HB3      LEU  42  10.184   1.307  -6.226
 1479    HG   LEU  42           HG       LEU  42   8.126  -0.137  -6.915
 1480   HD11  LEU  42          HD11      LEU  42   9.371  -2.109  -7.555
 1481   HD12  LEU  42          HD12      LEU  42  10.031  -2.239  -5.920
 1482   HD13  LEU  42          HD13      LEU  42   8.299  -2.454  -6.190
 1483   HD21  LEU  42          HD21      LEU  42   7.757  -0.715  -4.566
 1484   HD22  LEU  42          HD22      LEU  42   9.458  -0.400  -4.226
 1485   HD23  LEU  42          HD23      LEU  42   8.406   0.915  -4.747
 1486    HA   PRO  43           HA       PRO  43  14.114   1.837  -9.446
 1487    HB2  PRO  43           HB2      PRO  43  14.028   2.939 -11.921
 1488    HB3  PRO  43           HB3      PRO  43  14.135   1.198 -11.643
 1489    HG2  PRO  43           HG2      PRO  43  11.764   2.866 -12.356
 1490    HG3  PRO  43           HG3      PRO  43  12.204   1.241 -12.913
 1491    HD2  PRO  43           HD2      PRO  43  10.330   1.729 -10.984
 1492    HD3  PRO  43           HD3      PRO  43  11.271   0.227 -11.071
 1493    H    SER  44           H        SER  44  11.408   3.952 -10.251
 1494    HA   SER  44           HA       SER  44  12.834   6.394 -10.028
 1495    HB2  SER  44           HB2      SER  44   9.871   5.930  -9.620
 1496    HB3  SER  44           HB3      SER  44  10.659   7.442 -10.074
 1497    HG   SER  44           HG       SER  44  10.085   6.711 -11.997
 1498    H    PHE  45           H        PHE  45  11.160   4.327  -7.762
 1499    HA   PHE  45           HA       PHE  45  11.023   6.299  -5.674
 1500    HB2  PHE  45           HB2      PHE  45  10.551   3.330  -5.393
 1501    HB3  PHE  45           HB3      PHE  45   9.924   4.626  -4.384
 1502    HD1  PHE  45           HD2      PHE  45   8.113   6.083  -5.234
 1503    HD2  PHE  45           HD1      PHE  45   9.477   2.673  -7.378
 1504    HE1  PHE  45           HE2      PHE  45   6.049   6.099  -6.570
 1505    HE2  PHE  45           HE1      PHE  45   7.420   2.682  -8.718
 1506    HZ   PHE  45           HZ       PHE  45   5.701   4.387  -8.315
 1507    H    LEU  46           H        LEU  46  13.708   5.088  -6.791
 1508    HA   LEU  46           HA       LEU  46  14.691   4.082  -4.225
 1509    HB2  LEU  46           HB2      LEU  46  16.103   4.097  -6.895
 1510    HB3  LEU  46           HB3      LEU  46  16.716   3.397  -5.410
 1511    HG   LEU  46           HG       LEU  46  14.554   2.413  -7.211
 1512   HD11  LEU  46          HD11      LEU  46  16.823   1.078  -5.748
 1513   HD12  LEU  46          HD12      LEU  46  15.697   0.283  -6.848
 1514   HD13  LEU  46          HD13      LEU  46  16.794   1.522  -7.455
 1515   HD21  LEU  46          HD21      LEU  46  14.736   1.875  -4.246
 1516   HD22  LEU  46          HD22      LEU  46  13.374   2.522  -5.157
 1517   HD23  LEU  46          HD23      LEU  46  13.859   0.846  -5.382
 1518    H    GLY  47           H        GLY  47  14.615   6.901  -6.048
 1519    HA2  GLY  47           HA2      GLY  47  15.552   8.975  -5.806
 1520    HA3  GLY  47           HA3      GLY  47  16.045   8.470  -4.203
 1521    H    LYS  48           H        LYS  48  17.792   6.401  -4.924
 1522    HA   LYS  48           HA       LYS  48  19.632   7.415  -6.968
 1523    HB2  LYS  48           HB2      LYS  48  20.454   6.682  -4.148
 1524    HB3  LYS  48           HB3      LYS  48  21.583   6.826  -5.485
 1525    HG2  LYS  48           HG2      LYS  48  20.860   9.200  -5.738
 1526    HG3  LYS  48           HG3      LYS  48  19.917   9.006  -4.256
 1527    HD2  LYS  48           HD2      LYS  48  21.975   8.382  -3.057
 1528    HD3  LYS  48           HD3      LYS  48  22.900   8.645  -4.536
 1529    HE2  LYS  48           HE2      LYS  48  23.101  10.587  -3.139
 1530    HE3  LYS  48           HE3      LYS  48  22.121  10.997  -4.546
 1531    HZ1  LYS  48           HZ1      LYS  48  21.038  10.293  -1.870
 1532    HZ2  LYS  48           HZ2      LYS  48  20.137  10.803  -3.218
 1533    HZ3  LYS  48           HZ3      LYS  48  21.214  11.875  -2.460
 1534    H    ARG  49           H        ARG  49  19.818   4.897  -4.495
 1535    HA   ARG  49           HA       ARG  49  19.031   2.727  -6.102
 1536    HB2  ARG  49           HB2      ARG  49  21.181   3.277  -7.271
 1537    HB3  ARG  49           HB3      ARG  49  22.032   2.975  -5.761
 1538    HG2  ARG  49           HG2      ARG  49  22.231   1.025  -7.104
 1539    HG3  ARG  49           HG3      ARG  49  21.107   0.654  -5.794
 1540    HD2  ARG  49           HD2      ARG  49  20.137  -0.237  -7.756
 1541    HD3  ARG  49           HD3      ARG  49  19.243   1.247  -7.397
 1542    HE   ARG  49           HE       ARG  49  21.475   1.350  -9.302
 1543   HH11  ARG  49          HH12      ARG  49  18.021   1.532  -8.717
 1544   HH12  ARG  49          HH11      ARG  49  17.672   2.263 -10.253
 1545   HH21  ARG  49          HH22      ARG  49  21.017   2.289 -11.315
 1546   HH22  ARG  49          HH21      ARG  49  19.372   2.655 -11.751
 1547    H    THR  50           H        THR  50  19.202   0.719  -4.948
 1548    HA   THR  50           HA       THR  50  19.584   1.075  -2.081
 1549    HB   THR  50           HB       THR  50  18.538  -1.210  -1.961
 1550    HG1  THR  50           HG1      THR  50  19.109  -1.855  -4.114
 1551   HG21  THR  50          HG21      THR  50  16.977   0.906  -3.451
 1552   HG22  THR  50          HG22      THR  50  17.185   0.812  -1.703
 1553   HG23  THR  50          HG23      THR  50  16.281  -0.442  -2.552
 1554    H    ASP  51           H        ASP  51  21.745   0.930  -1.639
 1555    HA   ASP  51           HA       ASP  51  23.273  -1.283  -2.814
 1556    HB2  ASP  51           HB2      ASP  51  24.211   1.205  -1.375
 1557    HB3  ASP  51           HB3      ASP  51  25.272  -0.057  -1.984
 1558    H    GLU  52           H        GLU  52  25.250  -1.703  -1.065
 1559    HA   GLU  52           HA       GLU  52  24.054  -3.428   0.814
 1560    HB2  GLU  52           HB2      GLU  52  26.224  -3.931  -0.108
 1561    HB3  GLU  52           HB3      GLU  52  26.895  -2.446   0.553
 1562    HG2  GLU  52           HG2      GLU  52  26.381  -3.332   2.829
 1563    HG3  GLU  52           HG3      GLU  52  25.959  -4.864   2.068
 1564    H    ALA  53           H        ALA  53  26.058  -0.522   1.391
 1565    HA   ALA  53           HA       ALA  53  25.558  -0.462   4.186
 1566    HB1  ALA  53           HB1      ALA  53  26.564   1.769   4.122
 1567    HB2  ALA  53           HB2      ALA  53  27.520   0.593   3.212
 1568    HB3  ALA  53           HB3      ALA  53  26.493   1.747   2.360
 1569    H    ALA  54           H        ALA  54  23.664   0.387   1.555
 1570    HA   ALA  54           HA       ALA  54  22.084   2.353   2.989
 1571    HB1  ALA  54           HB1      ALA  54  22.524   2.701   0.621
 1572    HB2  ALA  54           HB2      ALA  54  21.746   1.160   0.243
 1573    HB3  ALA  54           HB3      ALA  54  20.800   2.482   0.921
 1574    H    PHE  55           H        PHE  55  21.848  -0.961   1.798
 1575    HA   PHE  55           HA       PHE  55  19.099  -1.245   2.501
 1576    HB2  PHE  55           HB2      PHE  55  20.904  -2.684   0.940
 1577    HB3  PHE  55           HB3      PHE  55  20.481  -3.774   2.259
 1578    HD1  PHE  55           HD2      PHE  55  17.886  -3.801   2.825
 1579    HD2  PHE  55           HD1      PHE  55  19.574  -2.703  -0.922
 1580    HE1  PHE  55           HE2      PHE  55  15.745  -4.296   1.725
 1581    HE2  PHE  55           HE1      PHE  55  17.434  -3.190  -2.030
 1582    HZ   PHE  55           HZ       PHE  55  15.517  -3.988  -0.708
 1583    H    GLN  56           H        GLN  56  22.058  -1.624   4.251
 1584    HA   GLN  56           HA       GLN  56  21.097  -3.293   6.313
 1585    HB2  GLN  56           HB2      GLN  56  22.888  -2.390   7.694
 1586    HB3  GLN  56           HB3      GLN  56  23.485  -2.723   6.076
 1587    HG2  GLN  56           HG2      GLN  56  23.353  -0.367   5.522
 1588    HG3  GLN  56           HG3      GLN  56  22.696  -0.015   7.120
 1589   HE21  GLN  56          HE21      GLN  56  24.035  -0.154   8.918
 1590   HE22  GLN  56          HE22      GLN  56  25.766  -0.126   8.774
 1591    H    LYS  57           H        LYS  57  20.781   0.112   5.636
 1592    HA   LYS  57           HA       LYS  57  19.243   0.648   8.019
 1593    HB2  LYS  57           HB2      LYS  57  19.662   2.298   5.514
 1594    HB3  LYS  57           HB3      LYS  57  18.854   2.860   6.971
 1595    HG2  LYS  57           HG2      LYS  57  20.909   2.645   8.230
 1596    HG3  LYS  57           HG3      LYS  57  21.731   1.984   6.815
 1597    HD2  LYS  57           HD2      LYS  57  21.388   4.074   5.618
 1598    HD3  LYS  57           HD3      LYS  57  20.511   4.753   7.000
 1599    HE2  LYS  57           HE2      LYS  57  22.599   4.374   8.358
 1600    HE3  LYS  57           HE3      LYS  57  23.425   3.939   6.859
 1601    HZ1  LYS  57           HZ1      LYS  57  22.177   6.563   7.499
 1602    HZ2  LYS  57           HZ2      LYS  57  22.862   6.156   5.996
 1603    HZ3  LYS  57           HZ3      LYS  57  23.835   6.229   7.382
 1604    H    LEU  58           H        LEU  58  18.695   0.220   4.557
 1605    HA   LEU  58           HA       LEU  58  16.003   0.855   4.456
 1606    HB2  LEU  58           HB2      LEU  58  17.463   0.530   2.487
 1607    HB3  LEU  58           HB3      LEU  58  17.409  -1.203   2.764
 1608    HG   LEU  58           HG       LEU  58  14.973  -1.185   2.404
 1609   HD11  LEU  58          HD11      LEU  58  13.807   0.743   1.744
 1610   HD12  LEU  58          HD12      LEU  58  14.744   1.215   3.157
 1611   HD13  LEU  58          HD13      LEU  58  15.289   1.675   1.538
 1612   HD21  LEU  58          HD21      LEU  58  16.575  -1.511   0.516
 1613   HD22  LEU  58          HD22      LEU  58  14.993  -0.881   0.050
 1614   HD23  LEU  58          HD23      LEU  58  16.383   0.202   0.141
 1615    H    MET  59           H        MET  59  17.312  -2.468   4.545
 1616    HA   MET  59           HA       MET  59  14.907  -3.798   4.849
 1617    HB2  MET  59           HB2      MET  59  16.825  -5.102   4.414
 1618    HB3  MET  59           HB3      MET  59  17.682  -4.460   5.808
 1619    HG2  MET  59           HG2      MET  59  16.903  -6.810   6.049
 1620    HG3  MET  59           HG3      MET  59  16.343  -5.721   7.315
 1621    HE1  MET  59           HE1      MET  59  13.698  -6.816   3.747
 1622    HE2  MET  59           HE2      MET  59  15.390  -6.287   3.700
 1623    HE3  MET  59           HE3      MET  59  14.992  -7.960   4.139
 1624    H    SER  60           H        SER  60  16.966  -2.405   7.363
 1625    HA   SER  60           HA       SER  60  15.382  -3.445   9.497
 1626    HB2  SER  60           HB2      SER  60  17.776  -2.977   9.744
 1627    HB3  SER  60           HB3      SER  60  17.470  -1.259   9.496
 1628    HG   SER  60           HG       SER  60  15.853  -2.001  11.412
 1629    H    ASN  61           H        ASN  61  15.033  -0.803   7.389
 1630    HA   ASN  61           HA       ASN  61  13.368   0.709   9.242
 1631    HB2  ASN  61           HB2      ASN  61  14.435   1.267   6.493
 1632    HB3  ASN  61           HB3      ASN  61  13.106   2.216   7.156
 1633   HD21  ASN  61          HD21      ASN  61  14.457   4.073   7.110
 1634   HD22  ASN  61          HD22      ASN  61  15.672   4.311   8.325
 1635    H    LEU  62           H        LEU  62  13.083  -1.782   6.994
 1636    HA   LEU  62           HA       LEU  62  10.189  -1.360   6.850
 1637    HB2  LEU  62           HB2      LEU  62  12.084  -3.221   5.456
 1638    HB3  LEU  62           HB3      LEU  62  10.376  -3.602   5.535
 1639    HG   LEU  62           HG       LEU  62  10.735  -2.571   3.450
 1640   HD11  LEU  62          HD11      LEU  62   8.717  -1.842   4.538
 1641   HD12  LEU  62          HD12      LEU  62   9.607  -0.558   5.374
 1642   HD13  LEU  62          HD13      LEU  62   9.407  -0.501   3.625
 1643   HD21  LEU  62          HD21      LEU  62  12.134  -0.329   4.888
 1644   HD22  LEU  62          HD22      LEU  62  12.905  -1.566   3.893
 1645   HD23  LEU  62          HD23      LEU  62  11.800  -0.405   3.158
 1646    H    ASP  63           H        ASP  63  12.439  -3.993   7.581
 1647    HA   ASP  63           HA       ASP  63  10.524  -5.595   8.906
 1648    HB2  ASP  63           HB2      ASP  63  12.644  -6.392   7.816
 1649    HB3  ASP  63           HB3      ASP  63  13.534  -5.706   9.168
 1650    H    SER  64           H        SER  64   9.578  -5.041  10.736
 1651    HA   SER  64           HA       SER  64  10.851  -3.335  12.682
 1652    HB2  SER  64           HB2      SER  64   8.247  -4.844  12.958
 1653    HB3  SER  64           HB3      SER  64   8.749  -3.393  13.830
 1654    HG   SER  64           HG       SER  64   8.206  -3.612  11.045
 1655    H    ASN  65           H        ASN  65  10.310  -6.741  12.224
 1656    HA   ASN  65           HA       ASN  65  10.916  -7.456  14.958
 1657    HB2  ASN  65           HB2      ASN  65   9.398  -8.818  13.515
 1658    HB3  ASN  65           HB3      ASN  65  10.774  -9.212  12.491
 1659   HD21  ASN  65          HD21      ASN  65   9.266  -9.691  15.584
 1660   HD22  ASN  65          HD22      ASN  65  10.201 -11.082  16.048
 1661    H    ARG  66           H        ARG  66  12.577  -6.841  12.051
 1662    HA   ARG  66           HA       ARG  66  14.745  -6.774  11.451
 1663    HB2  ARG  66           HB2      ARG  66  15.142  -6.730  14.446
 1664    HB3  ARG  66           HB3      ARG  66  16.422  -6.430  13.275
 1665    HG2  ARG  66           HG2      ARG  66  15.139  -4.535  12.383
 1666    HG3  ARG  66           HG3      ARG  66  13.899  -4.820  13.604
 1667    HD2  ARG  66           HD2      ARG  66  15.478  -4.340  15.370
 1668    HD3  ARG  66           HD3      ARG  66  16.784  -4.174  14.195
 1669    HE   ARG  66           HE       ARG  66  14.474  -2.405  13.912
 1670   HH11  ARG  66          HH12      ARG  66  17.791  -2.820  14.984
 1671   HH12  ARG  66          HH11      ARG  66  18.154  -1.124  14.904
 1672   HH21  ARG  66          HH22      ARG  66  14.946  -0.182  13.826
 1673   HH22  ARG  66          HH21      ARG  66  16.536   0.389  14.238
 1674    H    ASP  67           H        ASP  67  13.891  -9.058  10.900
 1675    HA   ASP  67           HA       ASP  67  15.718 -11.070  12.058
 1676    HB2  ASP  67           HB2      ASP  67  13.205 -11.495  12.123
 1677    HB3  ASP  67           HB3      ASP  67  13.263 -11.590  10.364
 1678    H    ASN  68           H        ASN  68  15.115  -9.034   9.518
 1679    HA   ASN  68           HA       ASN  68  16.328  -8.554   7.662
 1680    HB2  ASN  68           HB2      ASN  68  17.882 -10.991   8.490
 1681    HB3  ASN  68           HB3      ASN  68  18.154 -10.242   6.921
 1682   HD21  ASN  68          HD21      ASN  68  17.298  -8.455   9.806
 1683   HD22  ASN  68          HD22      ASN  68  18.819  -7.648   9.993
 1684    H    GLU  69           H        GLU  69  13.867  -9.820   7.687
 1685    HA   GLU  69           HA       GLU  69  13.742 -10.432   4.922
 1686    HB2  GLU  69           HB2      GLU  69  12.620 -12.637   5.121
 1687    HB3  GLU  69           HB3      GLU  69  14.307 -12.684   5.604
 1688    HG2  GLU  69           HG2      GLU  69  13.699 -12.750   7.923
 1689    HG3  GLU  69           HG3      GLU  69  11.998 -12.506   7.525
 1690    H    VAL  70           H        VAL  70  12.086  -9.305   4.309
 1691    HA   VAL  70           HA       VAL  70  10.200  -8.277   6.177
 1692    HB   VAL  70           HB       VAL  70  10.808  -7.880   3.297
 1693   HG11  VAL  70          HG11      VAL  70   8.375  -8.210   3.269
 1694   HG12  VAL  70          HG12      VAL  70   8.207  -6.964   4.503
 1695   HG13  VAL  70          HG13      VAL  70   8.829  -6.544   2.909
 1696   HG21  VAL  70          HG21      VAL  70  10.241  -6.011   5.590
 1697   HG22  VAL  70          HG22      VAL  70  11.838  -6.526   5.045
 1698   HG23  VAL  70          HG23      VAL  70  10.822  -5.544   3.990
 1699    H    ASP  71           H        ASP  71   8.312  -9.034   6.756
 1700    HA   ASP  71           HA       ASP  71   7.211 -11.424   5.546
 1701    HB2  ASP  71           HB2      ASP  71   7.320 -10.914   8.068
 1702    HB3  ASP  71           HB3      ASP  71   5.977  -9.807   7.786
 1703    H    PHE  72           H        PHE  72   4.469 -11.102   5.722
 1704    HA   PHE  72           HA       PHE  72   4.103  -9.879   3.191
 1705    HB2  PHE  72           HB2      PHE  72   2.827 -11.871   4.241
 1706    HB3  PHE  72           HB3      PHE  72   1.808 -10.634   4.970
 1707    HD1  PHE  72           HD1      PHE  72   2.766  -9.148   2.051
 1708    HD2  PHE  72           HD2      PHE  72   0.363 -12.389   3.405
 1709    HE1  PHE  72           HE1      PHE  72   1.459  -9.036  -0.029
 1710    HE2  PHE  72           HE2      PHE  72  -0.950 -12.281   1.331
 1711    HZ   PHE  72           HZ       PHE  72  -0.406 -10.606  -0.388
 1712    H    GLN  73           H        GLN  73   2.654  -8.968   6.381
 1713    HA   GLN  73           HA       GLN  73   1.496  -6.615   5.319
 1714    HB2  GLN  73           HB2      GLN  73   0.726  -7.597   7.456
 1715    HB3  GLN  73           HB3      GLN  73   2.233  -7.118   8.213
 1716    HG2  GLN  73           HG2      GLN  73   1.724  -4.776   7.718
 1717    HG3  GLN  73           HG3      GLN  73   0.167  -5.284   7.070
 1718   HE21  GLN  73          HE21      GLN  73   0.972  -3.598   9.373
 1719   HE22  GLN  73          HE22      GLN  73   0.114  -4.260  10.722
 1720    H    GLU  74           H        GLU  74   4.643  -7.303   6.696
 1721    HA   GLU  74           HA       GLU  74   5.536  -4.631   6.912
 1722    HB2  GLU  74           HB2      GLU  74   6.575  -6.945   7.719
 1723    HB3  GLU  74           HB3      GLU  74   7.453  -6.803   6.205
 1724    HG2  GLU  74           HG2      GLU  74   8.869  -5.830   7.760
 1725    HG3  GLU  74           HG3      GLU  74   8.070  -4.440   7.003
 1726    H    TYR  75           H        TYR  75   5.489  -6.977   4.323
 1727    HA   TYR  75           HA       TYR  75   6.988  -5.542   2.415
 1728    HB2  TYR  75           HB2      TYR  75   6.512  -7.936   2.212
 1729    HB3  TYR  75           HB3      TYR  75   4.789  -7.603   2.063
 1730    HD1  TYR  75           HD2      TYR  75   4.050  -6.233  -0.015
 1731    HD2  TYR  75           HD1      TYR  75   7.858  -8.110   0.364
 1732    HE1  TYR  75           HE2      TYR  75   4.319  -6.143  -2.454
 1733    HE2  TYR  75           HE1      TYR  75   8.137  -8.013  -2.087
 1734    HH   TYR  75           HH       TYR  75   6.109  -6.168  -4.105
 1735    H    CYS  76           H        CYS  76   3.591  -5.511   3.322
 1736    HA   CYS  76           HA       CYS  76   2.940  -3.815   1.098
 1737    HB2  CYS  76           HB2      CYS  76   1.213  -4.766   3.387
 1738    HB3  CYS  76           HB3      CYS  76   0.633  -3.968   1.925
 1739    HG   CYS  76           HG       CYS  76   2.114  -6.270   0.527
 1740    H    VAL  77           H        VAL  77   3.235  -3.417   4.645
 1741    HA   VAL  77           HA       VAL  77   2.435  -0.710   4.682
 1742    HB   VAL  77           HB       VAL  77   2.753  -1.896   6.795
 1743   HG11  VAL  77          HG11      VAL  77   4.564  -3.338   6.252
 1744   HG12  VAL  77          HG12      VAL  77   5.650  -1.967   6.003
 1745   HG13  VAL  77          HG13      VAL  77   5.050  -2.336   7.622
 1746   HG21  VAL  77          HG21      VAL  77   2.970   0.548   6.857
 1747   HG22  VAL  77          HG22      VAL  77   4.019  -0.214   8.052
 1748   HG23  VAL  77          HG23      VAL  77   4.708   0.405   6.551
 1749    H    PHE  78           H        PHE  78   5.496  -2.291   4.025
 1750    HA   PHE  78           HA       PHE  78   7.204  -0.261   3.422
 1751    HB2  PHE  78           HB2      PHE  78   7.980  -2.450   3.086
 1752    HB3  PHE  78           HB3      PHE  78   6.595  -2.887   2.095
 1753    HD1  PHE  78           HD2      PHE  78   9.821  -1.204   2.180
 1754    HD2  PHE  78           HD1      PHE  78   6.542  -2.417  -0.253
 1755    HE1  PHE  78           HE2      PHE  78  11.164  -0.765   0.155
 1756    HE2  PHE  78           HE1      PHE  78   7.862  -1.989  -2.281
 1757    HZ   PHE  78           HZ       PHE  78  10.183  -1.161  -2.078
 1758    H    LEU  79           H        LEU  79   4.739  -1.617   1.300
 1759    HA   LEU  79           HA       LEU  79   5.146   0.089  -0.870
 1760    HB2  LEU  79           HB2      LEU  79   3.032  -1.772   0.018
 1761    HB3  LEU  79           HB3      LEU  79   2.608  -0.611  -1.226
 1762    HG   LEU  79           HG       LEU  79   5.084  -1.773  -1.960
 1763   HD11  LEU  79          HD11      LEU  79   4.348  -4.117  -2.218
 1764   HD12  LEU  79          HD12      LEU  79   4.608  -3.648  -0.536
 1765   HD13  LEU  79          HD13      LEU  79   2.969  -3.765  -1.176
 1766   HD21  LEU  79          HD21      LEU  79   3.136  -0.775  -3.240
 1767   HD22  LEU  79          HD22      LEU  79   3.955  -2.194  -3.932
 1768   HD23  LEU  79          HD23      LEU  79   2.394  -2.381  -3.112
 1769    H    SER  80           H        SER  80   2.838   0.271   1.803
 1770    HA   SER  80           HA       SER  80   1.535   2.552   0.694
 1771    HB2  SER  80           HB2      SER  80   0.614   2.640   3.128
 1772    HB3  SER  80           HB3      SER  80   0.171   1.304   2.066
 1773    HG   SER  80           HG       SER  80   0.907   0.112   3.621
 1774    H    CYS  81           H        CYS  81   4.215   1.971   2.786
 1775    HA   CYS  81           HA       CYS  81   4.501   4.655   3.662
 1776    HB2  CYS  81           HB2      CYS  81   6.409   2.331   3.599
 1777    HB3  CYS  81           HB3      CYS  81   6.809   3.904   4.291
 1778    HG   CYS  81           HG       CYS  81   4.584   1.600   5.406
 1779    H    ILE  82           H        ILE  82   5.228   3.065   0.694
 1780    HA   ILE  82           HA       ILE  82   6.979   5.213  -0.156
 1781    HB   ILE  82           HB       ILE  82   5.606   3.121  -1.871
 1782   HG12  ILE  82          HG12      ILE  82   8.209   3.166  -0.401
 1783   HG13  ILE  82          HG13      ILE  82   7.091   1.832  -0.662
 1784   HG21  ILE  82          HG21      ILE  82   7.237   3.799  -3.579
 1785   HG22  ILE  82          HG22      ILE  82   6.197   5.142  -3.104
 1786   HG23  ILE  82          HG23      ILE  82   7.852   5.050  -2.494
 1787   HD11  ILE  82          HD11      ILE  82   7.830   2.018  -3.132
 1788   HD12  ILE  82          HD12      ILE  82   9.200   2.927  -2.479
 1789   HD13  ILE  82          HD13      ILE  82   8.910   1.255  -1.966
 1790    H    ALA  83           H        ALA  83   3.746   4.059  -1.085
 1791    HA   ALA  83           HA       ALA  83   3.107   6.218  -2.736
 1792    HB1  ALA  83           HB1      ALA  83   1.918   4.061  -2.695
 1793    HB2  ALA  83           HB2      ALA  83   1.188   4.520  -1.157
 1794    HB3  ALA  83           HB3      ALA  83   0.828   5.453  -2.614
 1795    H    MET  84           H        MET  84   2.417   5.718   0.717
 1796    HA   MET  84           HA       MET  84   1.022   8.184   0.982
 1797    HB2  MET  84           HB2      MET  84   0.511   6.418   2.495
 1798    HB3  MET  84           HB3      MET  84   2.184   6.334   3.027
 1799    HG2  MET  84           HG2      MET  84   1.881   8.728   3.826
 1800    HG3  MET  84           HG3      MET  84   0.150   8.457   3.589
 1801    HE1  MET  84           HE1      MET  84   2.250   5.534   4.181
 1802    HE2  MET  84           HE2      MET  84   3.310   6.582   5.149
 1803    HE3  MET  84           HE3      MET  84   2.378   5.278   5.944
 1804    H    MET  85           H        MET  85   4.349   7.191   1.335
 1805    HA   MET  85           HA       MET  85   5.379   9.488   2.567
 1806    HB2  MET  85           HB2      MET  85   6.612   7.384   2.150
 1807    HB3  MET  85           HB3      MET  85   6.681   7.805   0.437
 1808    HG2  MET  85           HG2      MET  85   7.693  10.031   1.427
 1809    HG3  MET  85           HG3      MET  85   8.145   8.948   2.732
 1810    HE1  MET  85           HE1      MET  85  10.331   6.522   1.749
 1811    HE2  MET  85           HE2      MET  85   8.557   6.588   2.034
 1812    HE3  MET  85           HE3      MET  85   9.218   6.046   0.455
 1813    H    CYS  86           H        CYS  86   4.505   8.718  -0.712
 1814    HA   CYS  86           HA       CYS  86   5.689  10.880  -2.052
 1815    HB2  CYS  86           HB2      CYS  86   4.956   8.838  -3.179
 1816    HB3  CYS  86           HB3      CYS  86   3.279   9.219  -2.802
 1817    HG   CYS  86           HG       CYS  86   3.956   9.684  -5.558
 1818    H    ASN  87           H        ASN  87   2.919  10.761  -0.061
 1819    HA   ASN  87           HA       ASN  87   1.128  12.543  -1.083
 1820    HB2  ASN  87           HB2      ASN  87   0.737  11.423   1.029
 1821    HB3  ASN  87           HB3      ASN  87   2.064  12.297   1.785
 1822   HD21  ASN  87          HD21      ASN  87   0.785  13.187   3.376
 1823   HD22  ASN  87          HD22      ASN  87  -0.392  14.411   3.053
 1824    H    GLU  88           H        GLU  88   4.040  13.414   0.781
 1825    HA   GLU  88           HA       GLU  88   3.427  16.206   0.566
 1826    HB2  GLU  88           HB2      GLU  88   5.558  16.574   1.691
 1827    HB3  GLU  88           HB3      GLU  88   4.585  15.373   2.522
 1828    HG2  GLU  88           HG2      GLU  88   5.956  13.599   1.679
 1829    HG3  GLU  88           HG3      GLU  88   6.857  14.727   0.662
 1830    H    PHE  89           H        PHE  89   5.000  13.952  -1.419
 1831    HA   PHE  89           HA       PHE  89   6.615  15.913  -2.822
 1832    HB2  PHE  89           HB2      PHE  89   6.149  12.964  -3.298
 1833    HB3  PHE  89           HB3      PHE  89   7.243  13.968  -4.254
 1834    HD1  PHE  89           HD2      PHE  89   9.277  14.889  -3.247
 1835    HD2  PHE  89           HD1      PHE  89   6.737  12.218  -1.127
 1836    HE1  PHE  89           HE2      PHE  89  11.077  14.478  -1.622
 1837    HE2  PHE  89           HE1      PHE  89   8.532  11.798   0.503
 1838    HZ   PHE  89           HZ       PHE  89  10.704  12.930   0.257
 1839    H    PHE  90           H        PHE  90   4.285  13.485  -4.005
 1840    HA   PHE  90           HA       PHE  90   3.923  14.881  -6.465
 1841    HB2  PHE  90           HB2      PHE  90   3.775  12.481  -6.432
 1842    HB3  PHE  90           HB3      PHE  90   2.473  12.521  -5.245
 1843    HD1  PHE  90           HD1      PHE  90   3.375  13.224  -8.753
 1844    HD2  PHE  90           HD2      PHE  90   0.212  12.842  -5.930
 1845    HE1  PHE  90           HE1      PHE  90   1.739  13.218 -10.591
 1846    HE2  PHE  90           HE2      PHE  90  -1.428  12.836  -7.763
 1847    HZ   PHE  90           HZ       PHE  90  -0.666  13.022 -10.097
 1848    H    GLU  91           H        GLU  91   1.674  14.172  -3.793
 1849    HA   GLU  91           HA       GLU  91  -0.370  15.894  -4.687
 1850    HB2  GLU  91           HB2      GLU  91  -0.992  14.281  -3.089
 1851    HB3  GLU  91           HB3      GLU  91   0.332  14.698  -2.016
 1852    HG2  GLU  91           HG2      GLU  91  -1.727  15.454  -1.060
 1853    HG3  GLU  91           HG3      GLU  91  -0.776  16.855  -1.548
 1854    H    GLY  92           H        GLY  92   2.252  16.323  -2.340
 1855    HA2  GLY  92           HA2      GLY  92   3.414  18.239  -1.771
 1856    HA3  GLY  92           HA3      GLY  92   2.544  19.092  -3.039
 1857    H    PHE  93           H        PHE  93   1.292  17.353  -0.228
 1858    HA   PHE  93           HA       PHE  93  -0.485  19.523   0.375
 1859    HB2  PHE  93           HB2      PHE  93  -0.989  17.019   0.685
 1860    HB3  PHE  93           HB3      PHE  93   0.040  17.104   2.109
 1861    HD1  PHE  93           HD2      PHE  93  -3.148  18.104   0.636
 1862    HD2  PHE  93           HD1      PHE  93  -0.677  18.294   4.095
 1863    HE1  PHE  93           HE2      PHE  93  -5.067  18.887   1.958
 1864    HE2  PHE  93           HE1      PHE  93  -2.594  19.077   5.423
 1865    HZ   PHE  93           HZ       PHE  93  -4.792  19.376   4.355
 1866    HA   PRO  94           HA       PRO  94   2.731  21.514   2.467
 1867    HB2  PRO  94           HB2      PRO  94   1.334  23.559   3.618
 1868    HB3  PRO  94           HB3      PRO  94   1.754  23.501   1.903
 1869    HG2  PRO  94           HG2      PRO  94  -0.825  22.832   3.249
 1870    HG3  PRO  94           HG3      PRO  94  -0.544  23.662   1.709
 1871    HD2  PRO  94           HD2      PRO  94  -1.268  21.039   1.896
 1872    HD3  PRO  94           HD3      PRO  94  -0.310  21.696   0.553
 1873    H    ASP  95           H        ASP  95   3.202  19.877   3.929
 1874    HA   ASP  95           HA       ASP  95   3.740  19.083   5.957
 1875    HB2  ASP  95           HB2      ASP  95   4.456  21.287   6.504
 1876    HB3  ASP  95           HB3      ASP  95   2.803  21.817   6.790
 1877    H    LYS  96           H        LYS  96   2.335  17.388   6.077
 1878    HA   LYS  96           HA       LYS  96   0.510  17.720   8.323
 1879    HB2  LYS  96           HB2      LYS  96  -0.802  17.686   6.116
 1880    HB3  LYS  96           HB3      LYS  96  -0.314  16.000   5.984
 1881    HG2  LYS  96           HG2      LYS  96  -1.447  15.449   8.023
 1882    HG3  LYS  96           HG3      LYS  96  -1.801  17.148   8.334
 1883    HD2  LYS  96           HD2      LYS  96  -3.188  17.206   6.298
 1884    HD3  LYS  96           HD3      LYS  96  -2.870  15.486   6.054
 1885    HE2  LYS  96           HE2      LYS  96  -4.147  16.638   8.529
 1886    HE3  LYS  96           HE3      LYS  96  -5.053  15.993   7.162
 1887    HZ1  LYS  96           HZ1      LYS  96  -4.220  13.847   7.544
 1888    HZ2  LYS  96           HZ2      LYS  96  -4.674  14.428   9.072
 1889    HZ3  LYS  96           HZ3      LYS  96  -3.036  14.394   8.631
 1890    H    GLN  97           H        GLN  97   3.184  16.555   7.309
 1891    HA   GLN  97           HA       GLN  97   3.174  14.369   9.165
 1892    HB2  GLN  97           HB2      GLN  97   4.147  12.720   7.633
 1893    HB3  GLN  97           HB3      GLN  97   2.534  13.182   7.116
 1894    HG2  GLN  97           HG2      GLN  97   3.489  14.629   5.403
 1895    HG3  GLN  97           HG3      GLN  97   5.113  14.190   5.932
 1896   HE21  GLN  97          HE21      GLN  97   5.726  13.288   4.000
 1897   HE22  GLN  97          HE22      GLN  97   5.046  11.811   3.396
 1898    HA   PRO  98           HA       PRO  98   6.952  16.690   9.695
 1899    HB2  PRO  98           HB2      PRO  98   7.395  14.825  11.925
 1900    HB3  PRO  98           HB3      PRO  98   7.224  16.582  11.951
 1901    HG2  PRO  98           HG2      PRO  98   5.307  14.960  12.912
 1902    HG3  PRO  98           HG3      PRO  98   4.922  16.490  12.101
 1903    HD2  PRO  98           HD2      PRO  98   4.813  13.695  11.022
 1904    HD3  PRO  98           HD3      PRO  98   3.663  15.032  10.804
 1905    H    ARG  99           H        ARG  99   8.203  16.051   7.991
 1906    HA   ARG  99           HA       ARG  99  10.128  13.980   8.541
 1907    HB2  ARG  99           HB2      ARG  99   8.203  12.779   7.471
 1908    HB3  ARG  99           HB3      ARG  99   8.459  13.759   6.035
 1909    HG2  ARG  99           HG2      ARG  99   9.462  11.559   5.804
 1910    HG3  ARG  99           HG3      ARG  99  10.687  12.828   5.773
 1911    HD2  ARG  99           HD2      ARG  99  10.011  11.487   8.354
 1912    HD3  ARG  99           HD3      ARG  99  11.052  10.664   7.196
 1913    HE   ARG  99           HE       ARG  99  12.309  12.980   7.360
 1914   HH11  ARG  99          HH12      ARG  99  10.841  11.143   9.950
 1915   HH12  ARG  99          HH11      ARG  99  12.034  11.602  11.126
 1916   HH21  ARG  99          HH22      ARG  99  13.874  13.593   8.893
 1917   HH22  ARG  99          HH21      ARG  99  13.768  12.988  10.527
 1918    H    LYS 100           H        LYS 100   9.157  15.277   5.377
 1919    HA   LYS 100           HA       LYS 100  11.708  16.727   5.338
 1920    HB2  LYS 100           HB2      LYS 100   9.998  15.760   3.042
 1921    HB3  LYS 100           HB3      LYS 100  11.442  16.746   2.856
 1922    HG2  LYS 100           HG2      LYS 100  11.288  13.949   3.959
 1923    HG3  LYS 100           HG3      LYS 100  11.999  14.457   2.426
 1924    HD2  LYS 100           HD2      LYS 100  12.967  15.258   5.170
 1925    HD3  LYS 100           HD3      LYS 100  13.714  14.046   4.130
 1926    HE2  LYS 100           HE2      LYS 100  14.381  15.659   2.552
 1927    HE3  LYS 100           HE3      LYS 100  13.314  16.885   3.235
 1928    HZ1  LYS 100           HZ1      LYS 100  14.688  16.895   5.236
 1929    HZ2  LYS 100           HZ2      LYS 100  15.591  17.310   3.863
 1930    HZ3  LYS 100           HZ3      LYS 100  15.739  15.760   4.538
 1931    H    LYS 101           H        LYS 101   8.263  17.025   4.655
 1932    HA   LYS 101           HA       LYS 101   8.236  19.716   3.892
 1933    HB2  LYS 101           HB2      LYS 101   6.146  18.096   5.347
 1934    HB3  LYS 101           HB3      LYS 101   5.868  19.709   4.711
 1935    HG2  LYS 101           HG2      LYS 101   6.652  17.319   3.050
 1936    HG3  LYS 101           HG3      LYS 101   5.005  17.904   3.261
 1937    HD2  LYS 101           HD2      LYS 101   5.655  18.829   1.228
 1938    HD3  LYS 101           HD3      LYS 101   5.913  20.146   2.370
 1939    HE2  LYS 101           HE2      LYS 101   7.790  20.001   0.854
 1940    HE3  LYS 101           HE3      LYS 101   8.301  19.548   2.479
 1941    HZ1  LYS 101           HZ1      LYS 101   9.227  18.042   0.865
 1942    HZ2  LYS 101           HZ2      LYS 101   7.690  17.685   0.252
 1943    HZ3  LYS 101           HZ3      LYS 101   8.102  17.204   1.825
  Start of MODEL   17
    1    H1   GLN1897           H1       GLN1897 -20.408 -11.381   2.892
    2    H2   GLN1897           H2       GLN1897 -18.939 -12.220   2.899
    3    H3   GLN1897           H3       GLN1897 -20.042 -12.460   1.631
    4    HA   GLN1897           HA       GLN1897 -18.301 -11.074   0.836
    5    HB2  GLN1897           HB2      GLN1897 -20.748 -10.565   0.280
    6    HB3  GLN1897           HB3      GLN1897 -20.651  -9.272   1.468
    7    HG2  GLN1897           HG2      GLN1897 -20.344  -8.531  -0.872
    8    HG3  GLN1897           HG3      GLN1897 -18.987  -8.123   0.176
    9   HE21  GLN1897          HE21      GLN1897 -17.414  -8.065  -1.337
   10   HE22  GLN1897          HE22      GLN1897 -16.908  -9.433  -2.253
   11    H    ARG1898           H        ARG1898 -17.394  -8.744   1.007
   12    HA   ARG1898           HA       ARG1898 -16.722  -6.885   2.082
   13    HB2  ARG1898           HB2      ARG1898 -18.695  -6.820   3.444
   14    HB3  ARG1898           HB3      ARG1898 -18.086  -8.101   4.463
   15    HG2  ARG1898           HG2      ARG1898 -16.334  -6.636   5.300
   16    HG3  ARG1898           HG3      ARG1898 -16.886  -5.352   4.221
   17    HD2  ARG1898           HD2      ARG1898 -17.702  -5.066   6.525
   18    HD3  ARG1898           HD3      ARG1898 -19.013  -5.255   5.360
   19    HE   ARG1898           HE       ARG1898 -18.126  -7.657   6.761
   20   HH11  ARG1898          HH12      ARG1898 -20.511  -5.111   6.405
   21   HH12  ARG1898          HH11      ARG1898 -21.704  -5.915   7.385
   22   HH21  ARG1898          HH22      ARG1898 -19.681  -8.711   8.042
   23   HH22  ARG1898          HH21      ARG1898 -21.218  -7.961   8.331
   24    H    GLU1899           H        GLU1899 -15.052  -8.404   1.302
   25    HA   GLU1899           HA       GLU1899 -13.288  -9.824   2.914
   26    HB2  GLU1899           HB2      GLU1899 -11.596  -8.899   1.175
   27    HB3  GLU1899           HB3      GLU1899 -12.917  -9.910   0.597
   28    HG2  GLU1899           HG2      GLU1899 -13.442  -7.019   0.729
   29    HG3  GLU1899           HG3      GLU1899 -12.296  -7.526  -0.495
   30    H    LEU1900           H        LEU1900 -13.875  -6.454   2.506
   31    HA   LEU1900           HA       LEU1900 -11.433  -5.405   3.348
   32    HB2  LEU1900           HB2      LEU1900 -14.239  -4.298   3.393
   33    HB3  LEU1900           HB3      LEU1900 -12.852  -3.386   3.926
   34    HG   LEU1900           HG       LEU1900 -13.275  -2.633   1.780
   35   HD11  LEU1900          HD11      LEU1900 -11.339  -3.323   0.459
   36   HD12  LEU1900          HD12      LEU1900 -10.947  -2.962   2.141
   37   HD13  LEU1900          HD13      LEU1900 -11.061  -4.636   1.602
   38   HD21  LEU1900          HD21      LEU1900 -14.781  -4.381   1.077
   39   HD22  LEU1900          HD22      LEU1900 -13.585  -3.989  -0.162
   40   HD23  LEU1900          HD23      LEU1900 -13.407  -5.454   0.806
   41    H    GLU1901           H        GLU1901 -14.161  -6.677   5.122
   42    HA   GLU1901           HA       GLU1901 -13.552  -5.535   7.640
   43    HB2  GLU1901           HB2      GLU1901 -15.734  -6.571   7.076
   44    HB3  GLU1901           HB3      GLU1901 -14.958  -8.148   7.057
   45    HG2  GLU1901           HG2      GLU1901 -14.326  -7.795   9.432
   46    HG3  GLU1901           HG3      GLU1901 -15.280  -6.313   9.414
   47    H    ASP1902           H        ASP1902 -12.413  -8.374   5.940
   48    HA   ASP1902           HA       ASP1902 -10.837  -9.263   8.227
   49    HB2  ASP1902           HB2      ASP1902 -11.980 -10.920   6.762
   50    HB3  ASP1902           HB3      ASP1902 -10.987 -10.381   5.414
   51    H    ALA1903           H        ALA1903 -10.409  -7.957   4.990
   52    HA   ALA1903           HA       ALA1903  -7.579  -8.135   4.958
   53    HB1  ALA1903           HB1      ALA1903  -9.529  -6.598   3.251
   54    HB2  ALA1903           HB2      ALA1903  -7.790  -6.654   2.953
   55    HB3  ALA1903           HB3      ALA1903  -8.745  -8.139   2.876
   56    H    THR1904           H        THR1904  -9.728  -5.270   5.241
   57    HA   THR1904           HA       THR1904  -7.383  -3.673   5.856
   58    HB   THR1904           HB       THR1904  -8.907  -1.721   5.784
   59    HG1  THR1904           HG1      THR1904 -10.799  -3.694   5.807
   60   HG21  THR1904          HG21      THR1904  -9.051  -3.555   3.393
   61   HG22  THR1904          HG22      THR1904  -7.734  -2.443   3.774
   62   HG23  THR1904          HG23      THR1904  -9.332  -1.814   3.370
   63    H    GLU1905           H        GLU1905  -9.231  -5.598   7.673
   64    HA   GLU1905           HA       GLU1905  -9.678  -4.143  10.044
   65    HB2  GLU1905           HB2      GLU1905 -10.253  -6.582   9.521
   66    HB3  GLU1905           HB3      GLU1905  -8.567  -6.934   9.870
   67    HG2  GLU1905           HG2      GLU1905  -9.930  -7.442  11.787
   68    HG3  GLU1905           HG3      GLU1905  -8.858  -6.092  12.143
   69    H    THR1906           H        THR1906  -6.934  -5.813   8.699
   70    HA   THR1906           HA       THR1906  -5.081  -5.197  10.745
   71    HB   THR1906           HB       THR1906  -3.735  -5.718   8.301
   72    HG1  THR1906           HG1      THR1906  -5.508  -6.506   7.282
   73   HG21  THR1906          HG21      THR1906  -3.243  -7.866   9.386
   74   HG22  THR1906          HG22      THR1906  -4.506  -7.554  10.576
   75   HG23  THR1906          HG23      THR1906  -3.075  -6.527  10.520
   76    H    ALA1907           H        ALA1907  -6.517  -3.203   8.477
   77    HA   ALA1907           HA       ALA1907  -4.289  -1.677   7.643
   78    HB1  ALA1907           HB1      ALA1907  -6.361  -1.542   6.388
   79    HB2  ALA1907           HB2      ALA1907  -7.188  -0.860   7.792
   80    HB3  ALA1907           HB3      ALA1907  -5.909   0.063   6.993
   81    H    ASP1908           H        ASP1908  -6.610  -1.315  10.288
   82    HA   ASP1908           HA       ASP1908  -5.622   1.041  11.396
   83    HB2  ASP1908           HB2      ASP1908  -7.685   0.085  12.199
   84    HB3  ASP1908           HB3      ASP1908  -6.857  -1.370  12.739
   85    H    ALA1909           H        ALA1909  -4.438  -2.270  11.664
   86    HA   ALA1909           HA       ALA1909  -2.425  -1.660  13.608
   87    HB1  ALA1909           HB1      ALA1909  -3.275  -3.936  13.291
   88    HB2  ALA1909           HB2      ALA1909  -2.549  -3.976  11.684
   89    HB3  ALA1909           HB3      ALA1909  -1.523  -3.853  13.112
   90    H    MET1910           H        MET1910  -2.067  -2.559  10.147
   91    HA   MET1910           HA       MET1910   0.470  -1.719   9.676
   92    HB2  MET1910           HB2      MET1910  -0.609  -2.777   7.901
   93    HB3  MET1910           HB3      MET1910  -1.967  -1.663   7.924
   94    HG2  MET1910           HG2      MET1910  -0.513   0.118   7.044
   95    HG3  MET1910           HG3      MET1910   0.842  -1.011   7.017
   96    HE1  MET1910           HE1      MET1910   0.936  -3.152   5.465
   97    HE2  MET1910           HE2      MET1910  -0.619  -3.690   6.104
   98    HE3  MET1910           HE3      MET1910  -0.362  -3.617   4.361
   99    H    ASN1911           H        ASN1911  -2.276   0.415  10.176
  100    HA   ASN1911           HA       ASN1911  -1.083   2.716   9.006
  101    HB2  ASN1911           HB2      ASN1911  -3.520   2.463   9.546
  102    HB3  ASN1911           HB3      ASN1911  -3.104   2.667  11.241
  103   HD21  ASN1911          HD21      ASN1911  -3.326   4.190   8.160
  104   HD22  ASN1911          HD22      ASN1911  -3.187   5.808   8.717
  105    H    ARG1912           H        ARG1912  -0.926   1.319  12.219
  106    HA   ARG1912           HA       ARG1912   0.283   3.599  13.436
  107    HB2  ARG1912           HB2      ARG1912   0.497   0.738  14.361
  108    HB3  ARG1912           HB3      ARG1912   0.617   2.189  15.343
  109    HG2  ARG1912           HG2      ARG1912  -1.832   1.032  14.051
  110    HG3  ARG1912           HG3      ARG1912  -1.519   1.293  15.769
  111    HD2  ARG1912           HD2      ARG1912  -1.686   3.651  15.530
  112    HD3  ARG1912           HD3      ARG1912  -1.656   3.540  13.767
  113    HE   ARG1912           HE       ARG1912  -3.868   2.149  14.372
  114   HH11  ARG1912          HH12      ARG1912  -2.736   5.290  15.442
  115   HH12  ARG1912          HH11      ARG1912  -4.339   5.942  15.636
  116   HH21  ARG1912          HH22      ARG1912  -5.970   3.000  14.594
  117   HH22  ARG1912          HH21      ARG1912  -6.171   4.640  15.143
  118    H    GLU1913           H        GLU1913   1.441   0.620  11.977
  119    HA   GLU1913           HA       GLU1913   4.197   1.281  12.411
  120    HB2  GLU1913           HB2      GLU1913   4.683  -0.681  11.036
  121    HB3  GLU1913           HB3      GLU1913   3.496  -1.060  12.276
  122    HG2  GLU1913           HG2      GLU1913   1.712  -0.824  10.604
  123    HG3  GLU1913           HG3      GLU1913   2.936  -0.525   9.365
  124    H    VAL1914           H        VAL1914   1.823   1.839   9.904
  125    HA   VAL1914           HA       VAL1914   3.626   2.324   7.778
  126    HB   VAL1914           HB       VAL1914   0.988   2.014   7.776
  127   HG11  VAL1914          HG11      VAL1914   1.273   5.007   7.707
  128   HG12  VAL1914          HG12      VAL1914  -0.183   4.108   7.273
  129   HG13  VAL1914          HG13      VAL1914   0.420   4.059   8.931
  130   HG21  VAL1914          HG21      VAL1914   2.352   1.980   5.791
  131   HG22  VAL1914          HG22      VAL1914   0.898   2.941   5.521
  132   HG23  VAL1914          HG23      VAL1914   2.446   3.743   5.794
  133    H    SER1915           H        SER1915   2.198   4.389  10.236
  134    HA   SER1915           HA       SER1915   3.146   6.786   9.043
  135    HB2  SER1915           HB2      SER1915   1.166   6.474  10.605
  136    HB3  SER1915           HB3      SER1915   2.338   6.475  11.925
  137    HG   SER1915           HG       SER1915   2.269   8.570  11.795
  138    H    SER1916           H        SER1916   4.316   4.468  11.363
  139    HA   SER1916           HA       SER1916   6.617   6.026  12.133
  140    HB2  SER1916           HB2      SER1916   5.554   4.383  13.662
  141    HB3  SER1916           HB3      SER1916   6.020   3.085  12.566
  142    HG   SER1916           HG       SER1916   7.965   4.863  13.570
  143    H    LEU1917           H        LEU1917   5.942   3.312   9.958
  144    HA   LEU1917           HA       LEU1917   8.634   2.818   9.280
  145    HB2  LEU1917           HB2      LEU1917   6.756   1.174   9.063
  146    HB3  LEU1917           HB3      LEU1917   6.194   2.080   7.674
  147    HG   LEU1917           HG       LEU1917   8.942   0.835   7.801
  148   HD11  LEU1917          HD11      LEU1917   6.353  -0.298   6.795
  149   HD12  LEU1917          HD12      LEU1917   7.936  -0.890   6.287
  150   HD13  LEU1917          HD13      LEU1917   7.461  -0.988   7.985
  151   HD21  LEU1917          HD21      LEU1917   8.868   1.057   5.393
  152   HD22  LEU1917          HD22      LEU1917   7.248   1.752   5.493
  153   HD23  LEU1917          HD23      LEU1917   8.623   2.628   6.165
  154    H    LYS1918           H        LYS1918   6.001   4.449   7.464
  155    HA   LYS1918           HA       LYS1918   7.605   5.260   5.353
  156    HB2  LYS1918           HB2      LYS1918   5.661   6.076   4.630
  157    HB3  LYS1918           HB3      LYS1918   4.970   5.795   6.220
  158    HG2  LYS1918           HG2      LYS1918   6.535   8.272   5.695
  159    HG3  LYS1918           HG3      LYS1918   4.863   8.137   5.142
  160    HD2  LYS1918           HD2      LYS1918   4.000   8.020   7.284
  161    HD3  LYS1918           HD3      LYS1918   5.512   7.401   7.954
  162    HE2  LYS1918           HE2      LYS1918   6.551   9.534   7.777
  163    HE3  LYS1918           HE3      LYS1918   5.178  10.184   6.884
  164    HZ1  LYS1918           HZ1      LYS1918   4.977   9.187   9.672
  165    HZ2  LYS1918           HZ2      LYS1918   3.822  10.077   8.803
  166    HZ3  LYS1918           HZ3      LYS1918   5.271  10.810   9.282
  167    H    ASN1919           H        ASN1919   7.509   6.351   8.596
  168    HA   ASN1919           HA       ASN1919   8.974   8.784   8.159
  169    HB2  ASN1919           HB2      ASN1919   7.408   8.717   9.994
  170    HB3  ASN1919           HB3      ASN1919   8.204   7.305  10.681
  171   HD21  ASN1919          HD21      ASN1919   9.967   7.567  11.946
  172   HD22  ASN1919          HD22      ASN1919  10.624   9.106  12.389
  173    H    LYS1920           H        LYS1920   9.788   5.420   8.946
  174    HA   LYS1920           HA       LYS1920  12.506   6.155   9.565
  175    HB2  LYS1920           HB2      LYS1920  12.838   3.547   9.150
  176    HB3  LYS1920           HB3      LYS1920  12.240   4.189  10.662
  177    HG2  LYS1920           HG2      LYS1920   9.957   3.623  10.008
  178    HG3  LYS1920           HG3      LYS1920  10.532   2.976   8.460
  179    HD2  LYS1920           HD2      LYS1920  11.761   1.253   9.560
  180    HD3  LYS1920           HD3      LYS1920  11.498   1.980  11.145
  181    HE2  LYS1920           HE2      LYS1920   9.174   1.456  11.081
  182    HE3  LYS1920           HE3      LYS1920   9.269   0.971   9.390
  183    HZ1  LYS1920           HZ1      LYS1920   9.182  -0.901  10.995
  184    HZ2  LYS1920           HZ2      LYS1920  10.701  -0.424  11.591
  185    HZ3  LYS1920           HZ3      LYS1920  10.538  -0.931   9.984
  186    H    LEU1921           H        LEU1921  10.647   5.193   6.803
  187    HA   LEU1921           HA       LEU1921  12.885   4.980   5.045
  188    HB2  LEU1921           HB2      LEU1921  10.057   5.734   4.298
  189    HB3  LEU1921           HB3      LEU1921  11.285   5.049   3.252
  190    HG   LEU1921           HG       LEU1921   9.723   3.680   5.423
  191   HD11  LEU1921          HD11      LEU1921  10.131   3.088   2.501
  192   HD12  LEU1921          HD12      LEU1921   9.194   2.107   3.631
  193   HD13  LEU1921          HD13      LEU1921   8.674   3.749   3.245
  194   HD21  LEU1921          HD21      LEU1921  11.091   1.694   5.063
  195   HD22  LEU1921          HD22      LEU1921  12.159   2.619   4.006
  196   HD23  LEU1921          HD23      LEU1921  12.045   3.026   5.717
  197    H    ARG1922           H        ARG1922  10.894   7.526   6.282
  198    HA   ARG1922           HA       ARG1922  12.027   9.576   4.608
  199    HB2  ARG1922           HB2      ARG1922  10.067   9.513   6.869
  200    HB3  ARG1922           HB3      ARG1922  10.765  11.038   6.375
  201    HG2  ARG1922           HG2      ARG1922   9.168   9.165   4.649
  202    HG3  ARG1922           HG3      ARG1922   8.618  10.700   5.319
  203    HD2  ARG1922           HD2      ARG1922  10.795  10.288   3.272
  204    HD3  ARG1922           HD3      ARG1922   9.207  10.994   3.001
  205    HE   ARG1922           HE       ARG1922  11.474  12.260   4.341
  206   HH11  ARG1922          HH12      ARG1922   8.116  12.426   3.372
  207   HH12  ARG1922          HH11      ARG1922   8.025  14.159   3.518
  208   HH21  ARG1922          HH22      ARG1922  11.375  14.528   4.511
  209   HH22  ARG1922          HH21      ARG1922   9.888  15.357   4.132
  210    H    ARG1923           H        ARG1923  13.343   7.869   7.048
  211    HA   ARG1923           HA       ARG1923  14.353   9.713   8.875
  212    HB2  ARG1923           HB2      ARG1923  14.558   7.076   8.709
  213    HB3  ARG1923           HB3      ARG1923  16.098   7.461   7.958
  214    HG2  ARG1923           HG2      ARG1923  15.263   8.471  10.667
  215    HG3  ARG1923           HG3      ARG1923  16.199   7.001  10.410
  216    HD2  ARG1923           HD2      ARG1923  18.002   8.248   9.440
  217    HD3  ARG1923           HD3      ARG1923  17.046   9.730   9.453
  218    HE   ARG1923           HE       ARG1923  17.083   9.104  12.052
  219   HH11  ARG1923          HH12      ARG1923  19.687   9.097   9.698
  220   HH12  ARG1923          HH11      ARG1923  20.886   9.631  10.842
  221   HH21  ARG1923          HH22      ARG1923  18.663   9.786  13.558
  222   HH22  ARG1923          HH21      ARG1923  20.315   9.992  13.042
  223    H    GLY1924           H        GLY1924  15.822   8.559   5.836
  224    HA2  GLY1924           HA2      GLY1924  16.439  10.599   4.432
  225    HA3  GLY1924           HA3      GLY1924  17.429  11.033   5.819
  226    H    ASP1925           H        ASP1925  18.143   8.281   6.378
  227    HA   ASP1925           HA       ASP1925  20.403   8.084   4.629
  228    HB2  ASP1925           HB2      ASP1925  19.482   6.105   6.719
  229    HB3  ASP1925           HB3      ASP1925  21.100   6.258   6.043
  230    H    LEU1926           H        LEU1926  17.249   6.742   4.763
  231    HA   LEU1926           HA       LEU1926  17.370   4.374   3.441
  232    HB2  LEU1926           HB2      LEU1926  15.445   6.476   3.857
  233    HB3  LEU1926           HB3      LEU1926  15.248   5.771   2.267
  234    HG   LEU1926           HG       LEU1926  14.302   4.804   4.764
  235   HD11  LEU1926          HD11      LEU1926  14.279   3.611   1.980
  236   HD12  LEU1926          HD12      LEU1926  13.190   3.185   3.300
  237   HD13  LEU1926          HD13      LEU1926  13.136   4.803   2.601
  238   HD21  LEU1926          HD21      LEU1926  16.205   2.884   3.410
  239   HD22  LEU1926          HD22      LEU1926  16.439   3.618   5.000
  240   HD23  LEU1926          HD23      LEU1926  15.098   2.508   4.728
  241    HA   PRO1927           HA       PRO1927  18.990   5.449  -0.565
  242    HB2  PRO1927           HB2      PRO1927  18.990   2.991  -1.599
  243    HB3  PRO1927           HB3      PRO1927  20.114   3.448  -0.317
  244    HG2  PRO1927           HG2      PRO1927  17.598   1.850  -0.161
  245    HG3  PRO1927           HG3      PRO1927  19.125   1.624   0.710
  246    HD2  PRO1927           HD2      PRO1927  16.859   2.855   1.736
  247    HD3  PRO1927           HD3      PRO1927  18.504   3.046   2.372
  248    H    PHE1928           H        PHE1928  15.881   4.893   0.161
  249    HA   PHE1928           HA       PHE1928  15.033   5.147  -2.590
  250    HB2  PHE1928           HB2      PHE1928  14.178   3.090  -2.821
  251    HB3  PHE1928           HB3      PHE1928  15.037   2.661  -1.370
  252    HD1  PHE1928           HD2      PHE1928  11.910   4.341  -2.289
  253    HD2  PHE1928           HD1      PHE1928  13.831   1.499   0.182
  254    HE1  PHE1928           HE2      PHE1928   9.754   3.820  -1.213
  255    HE2  PHE1928           HE1      PHE1928  11.705   0.978   1.261
  256    HZ   PHE1928           HZ       PHE1928   9.728   1.955   0.558
  257    H    VAL1929           H        VAL1929  13.247   6.319  -2.825
  258    HA   VAL1929           HA       VAL1929  11.459   7.047  -0.717
  259    HB   VAL1929           HB       VAL1929  12.128   9.522  -0.905
  260   HG11  VAL1929          HG11      VAL1929  13.764   9.356   0.884
  261   HG12  VAL1929          HG12      VAL1929  12.455   8.196   1.128
  262   HG13  VAL1929          HG13      VAL1929  14.010   7.649   0.504
  263   HG21  VAL1929          HG21      VAL1929  14.650   8.186  -1.851
  264   HG22  VAL1929          HG22      VAL1929  13.605   9.249  -2.796
  265   HG23  VAL1929          HG23      VAL1929  14.505   9.896  -1.418
  266    H    VAL1930           H        VAL1930   9.826   8.539  -1.508
  267    HA   VAL1930           HA       VAL1930   9.386   8.351  -4.314
  268    HB   VAL1930           HB       VAL1930   7.973  10.119  -2.308
  269   HG11  VAL1930          HG11      VAL1930   7.191   9.278  -5.095
  270   HG12  VAL1930          HG12      VAL1930   6.177  10.192  -3.978
  271   HG13  VAL1930          HG13      VAL1930   7.672  10.898  -4.592
  272   HG21  VAL1930          HG21      VAL1930   7.757   7.776  -1.724
  273   HG22  VAL1930          HG22      VAL1930   6.228   8.398  -2.351
  274   HG23  VAL1930          HG23      VAL1930   7.258   7.394  -3.374
  275    HA   PRO1931           HA       PRO1931  11.728  12.024  -5.486
  276    HB2  PRO1931           HB2      PRO1931  10.944  11.929  -8.093
  277    HB3  PRO1931           HB3      PRO1931  12.243  10.921  -7.442
  278    HG2  PRO1931           HG2      PRO1931   9.376  10.223  -7.948
  279    HG3  PRO1931           HG3      PRO1931  10.836   9.272  -8.283
  280    HD2  PRO1931           HD2      PRO1931   9.281   8.806  -6.126
  281    HD3  PRO1931           HD3      PRO1931  11.043   8.580  -6.080
  282    H    ARG1932           H        ARG1932  11.034  14.085  -6.665
  283    HA   ARG1932           HA       ARG1932   8.707  15.213  -5.740
  284    HB2  ARG1932           HB2      ARG1932  10.282  15.777  -8.229
  285    HB3  ARG1932           HB3      ARG1932   8.839  16.702  -7.834
  286    HG2  ARG1932           HG2      ARG1932   9.859  17.365  -5.710
  287    HG3  ARG1932           HG3      ARG1932  11.317  16.469  -6.146
  288    HD2  ARG1932           HD2      ARG1932  11.735  17.907  -8.001
  289    HD3  ARG1932           HD3      ARG1932  10.161  18.684  -7.824
  290    HE   ARG1932           HE       ARG1932  11.135  19.349  -5.519
  291   HH11  ARG1932          HH12      ARG1932  12.882  19.192  -8.563
  292   HH12  ARG1932          HH11      ARG1932  14.047  20.395  -8.096
  293   HH21  ARG1932          HH22      ARG1932  12.662  20.921  -4.911
  294   HH22  ARG1932          HH21      ARG1932  13.919  21.382  -6.025
  295    H    ARG1933           H        ARG1933   6.728  14.467  -5.882
  296    HA   ARG1933           HA       ARG1933   4.788  13.553  -6.664
  297    HB2  ARG1933           HB2      ARG1933   5.820  14.117  -9.450
  298    HB3  ARG1933           HB3      ARG1933   4.145  13.988  -8.927
  299    HG2  ARG1933           HG2      ARG1933   4.114  16.086  -8.032
  300    HG3  ARG1933           HG3      ARG1933   5.855  16.104  -7.732
  301    HD2  ARG1933           HD2      ARG1933   6.106  16.093 -10.277
  302    HD3  ARG1933           HD3      ARG1933   4.391  16.515 -10.316
  303    HE   ARG1933           HE       ARG1933   5.157  18.425  -8.759
  304   HH11  ARG1933          HH12      ARG1933   6.991  17.088 -11.426
  305   HH12  ARG1933          HH11      ARG1933   7.869  18.563 -11.730
  306   HH21  ARG1933          HH22      ARG1933   6.344  20.343  -9.107
  307   HH22  ARG1933          HH21      ARG1933   7.506  20.412 -10.404
  308    H    MET1934           H        MET1934   4.473  12.057  -9.143
  309    HA   MET1934           HA       MET1934   6.020   9.714  -8.534
  310    HB2  MET1934           HB2      MET1934   4.553  10.163 -11.125
  311    HB3  MET1934           HB3      MET1934   4.887   8.644 -10.308
  312    HG2  MET1934           HG2      MET1934   2.723  10.615  -9.860
  313    HG3  MET1934           HG3      MET1934   2.671   8.858  -9.859
  314    HE1  MET1934           HE1      MET1934   5.188   8.389  -7.658
  315    HE2  MET1934           HE2      MET1934   4.185   8.130  -6.234
  316    HE3  MET1934           HE3      MET1934   3.733   7.403  -7.777
  317    H    ALA1935           H        ALA1935   5.985  12.370 -10.741
  318    HA   ALA1935           HA       ALA1935   8.560  13.070 -10.485
  319    HB1  ALA1935           HB1      ALA1935   9.257  10.971 -11.517
  320    HB2  ALA1935           HB2      ALA1935   8.356  11.391 -12.976
  321    HB3  ALA1935           HB3      ALA1935   9.735  12.371 -12.477
  322    H    MET   1           H1       MET   1  -0.637  -3.209 -20.290
  323    HA   MET   1           HA       MET   1   0.671  -4.681 -18.980
  324    HB2  MET   1           HB2      MET   1   1.694  -5.995 -20.726
  325    HB3  MET   1           HB3      MET   1   2.551  -4.589 -21.347
  326    HG2  MET   1           HG2      MET   1   4.029  -6.066 -20.102
  327    HG3  MET   1           HG3      MET   1   3.897  -4.485 -19.336
  328    HE1  MET   1           HE1      MET   1   5.138  -6.967 -17.851
  329    HE2  MET   1           HE2      MET   1   4.933  -5.388 -17.091
  330    HE3  MET   1           HE3      MET   1   4.371  -6.845 -16.268
  331    H    ALA   2           H        ALA   2   0.927  -3.174 -17.454
  332    HA   ALA   2           HA       ALA   2   2.713  -0.902 -18.013
  333    HB1  ALA   2           HB1      ALA   2   0.466  -0.330 -17.203
  334    HB2  ALA   2           HB2      ALA   2   0.756  -1.287 -15.750
  335    HB3  ALA   2           HB3      ALA   2   1.717   0.158 -16.060
  336    H    CYS   3           H        CYS   3   4.111  -0.249 -16.096
  337    HA   CYS   3           HA       CYS   3   5.576  -2.476 -15.092
  338    HB2  CYS   3           HB2      CYS   3   5.669   0.432 -14.248
  339    HB3  CYS   3           HB3      CYS   3   6.879  -0.792 -13.876
  340    HG   CYS   3           HG       CYS   3   7.328   1.242 -16.090
  341    HA   PRO   4           HA       PRO   4   2.242  -3.481 -12.364
  342    HB2  PRO   4           HB2      PRO   4   4.481  -5.038 -11.125
  343    HB3  PRO   4           HB3      PRO   4   2.840  -5.571 -11.537
  344    HG2  PRO   4           HG2      PRO   4   4.802  -6.269 -13.125
  345    HG3  PRO   4           HG3      PRO   4   3.316  -5.621 -13.845
  346    HD2  PRO   4           HD2      PRO   4   5.943  -4.261 -13.384
  347    HD3  PRO   4           HD3      PRO   4   4.870  -4.186 -14.799
  348    H    LEU   5           H        LEU   5   5.333  -3.412 -10.570
  349    HA   LEU   5           HA       LEU   5   4.009  -2.525  -8.201
  350    HB2  LEU   5           HB2      LEU   5   6.397  -3.779  -8.770
  351    HB3  LEU   5           HB3      LEU   5   6.911  -2.178  -8.277
  352    HG   LEU   5           HG       LEU   5   6.905  -3.788  -6.410
  353   HD11  LEU   5          HD11      LEU   5   5.664  -2.425  -4.813
  354   HD12  LEU   5          HD12      LEU   5   6.609  -1.438  -5.927
  355   HD13  LEU   5          HD13      LEU   5   4.868  -1.593  -6.150
  356   HD21  LEU   5          HD21      LEU   5   5.049  -5.188  -7.145
  357   HD22  LEU   5          HD22      LEU   5   4.799  -4.600  -5.501
  358   HD23  LEU   5          HD23      LEU   5   3.926  -3.863  -6.843
  359    H    GLU   6           H        GLU   6   5.653  -0.982 -10.836
  360    HA   GLU   6           HA       GLU   6   6.192   1.484  -9.612
  361    HB2  GLU   6           HB2      GLU   6   7.118   0.637 -11.806
  362    HB3  GLU   6           HB3      GLU   6   5.570   1.037 -12.530
  363    HG2  GLU   6           HG2      GLU   6   7.199   3.099 -11.094
  364    HG3  GLU   6           HG3      GLU   6   7.507   2.687 -12.778
  365    H    LYS   7           H        LYS   7   3.470   0.335 -11.548
  366    HA   LYS   7           HA       LYS   7   1.957   2.705 -11.405
  367    HB2  LYS   7           HB2      LYS   7   1.204  -0.161 -11.955
  368    HB3  LYS   7           HB3      LYS   7   0.022   1.137 -11.963
  369    HG2  LYS   7           HG2      LYS   7   2.469   1.427 -13.628
  370    HG3  LYS   7           HG3      LYS   7   1.191   0.338 -14.169
  371    HD2  LYS   7           HD2      LYS   7   0.807   2.475 -15.165
  372    HD3  LYS   7           HD3      LYS   7  -0.422   2.228 -13.926
  373    HE2  LYS   7           HE2      LYS   7   0.331   4.472 -13.741
  374    HE3  LYS   7           HE3      LYS   7   0.997   3.583 -12.374
  375    HZ1  LYS   7           HZ1      LYS   7   3.121   3.491 -13.442
  376    HZ2  LYS   7           HZ2      LYS   7   2.591   5.100 -13.483
  377    HZ3  LYS   7           HZ3      LYS   7   2.491   4.147 -14.874
  378    H    ALA   8           H        ALA   8   2.189  -0.091  -9.285
  379    HA   ALA   8           HA       ALA   8  -0.080   0.100  -7.766
  380    HB1  ALA   8           HB1      ALA   8   1.190  -0.903  -5.932
  381    HB2  ALA   8           HB2      ALA   8   1.559  -1.664  -7.480
  382    HB3  ALA   8           HB3      ALA   8   2.692  -0.517  -6.767
  383    H    LEU   9           H        LEU   9   2.971   1.834  -7.019
  384    HA   LEU   9           HA       LEU   9   1.723   3.293  -4.890
  385    HB2  LEU   9           HB2      LEU   9   4.352   3.832  -6.283
  386    HB3  LEU   9           HB3      LEU   9   3.808   4.601  -4.807
  387    HG   LEU   9           HG       LEU   9   5.311   3.000  -4.061
  388   HD11  LEU   9          HD11      LEU   9   3.250   2.873  -2.814
  389   HD12  LEU   9          HD12      LEU   9   2.609   1.681  -3.944
  390   HD13  LEU   9          HD13      LEU   9   3.995   1.278  -2.930
  391   HD21  LEU   9          HD21      LEU   9   5.385   0.686  -4.824
  392   HD22  LEU   9          HD22      LEU   9   4.073   1.017  -5.954
  393   HD23  LEU   9          HD23      LEU   9   5.634   1.817  -6.156
  394    H    ASP  10           H        ASP  10   2.551   3.964  -8.234
  395    HA   ASP  10           HA       ASP  10   2.077   6.719  -8.319
  396    HB2  ASP  10           HB2      ASP  10   3.165   5.483 -10.132
  397    HB3  ASP  10           HB3      ASP  10   1.678   4.605 -10.455
  398    H    VAL  11           H        VAL  11  -0.140   4.010  -8.854
  399    HA   VAL  11           HA       VAL  11  -2.328   5.723  -9.525
  400    HB   VAL  11           HB       VAL  11  -3.687   3.759  -9.625
  401   HG11  VAL  11          HG11      VAL  11  -2.130   4.164 -11.459
  402   HG12  VAL  11          HG12      VAL  11  -0.920   3.165 -10.654
  403   HG13  VAL  11          HG13      VAL  11  -2.420   2.437 -11.230
  404   HG21  VAL  11          HG21      VAL  11  -2.972   2.660  -7.573
  405   HG22  VAL  11          HG22      VAL  11  -2.867   1.550  -8.939
  406   HG23  VAL  11          HG23      VAL  11  -1.404   2.299  -8.296
  407    H    MET  12           H        MET  12  -1.036   4.496  -6.566
  408    HA   MET  12           HA       MET  12  -3.298   4.582  -4.932
  409    HB2  MET  12           HB2      MET  12  -0.375   5.014  -4.436
  410    HB3  MET  12           HB3      MET  12  -1.535   5.269  -3.141
  411    HG2  MET  12           HG2      MET  12  -2.201   3.024  -3.145
  412    HG3  MET  12           HG3      MET  12  -1.452   2.719  -4.711
  413    HE1  MET  12           HE1      MET  12  -0.672   0.493  -3.199
  414    HE2  MET  12           HE2      MET  12   0.497   0.629  -1.878
  415    HE3  MET  12           HE3      MET  12  -1.154   1.211  -1.652
  416    H    VAL  13           H        VAL  13  -0.877   7.175  -5.416
  417    HA   VAL  13           HA       VAL  13  -2.595   9.099  -4.148
  418    HB   VAL  13           HB       VAL  13  -0.891  10.771  -4.793
  419   HG11  VAL  13          HG11      VAL  13  -0.699   9.531  -2.693
  420   HG12  VAL  13          HG12      VAL  13   0.258   8.299  -3.517
  421   HG13  VAL  13          HG13      VAL  13   0.885   9.943  -3.362
  422   HG21  VAL  13          HG21      VAL  13   1.212  10.027  -5.773
  423   HG22  VAL  13          HG22      VAL  13   0.501   8.434  -6.056
  424   HG23  VAL  13          HG23      VAL  13  -0.154   9.852  -6.881
  425    H    SER  14           H        SER  14  -2.205   7.934  -7.354
  426    HA   SER  14           HA       SER  14  -3.211  10.249  -8.702
  427    HB2  SER  14           HB2      SER  14  -1.811   8.532  -9.828
  428    HB3  SER  14           HB3      SER  14  -3.128   7.374  -9.651
  429    HG   SER  14           HG       SER  14  -2.850   8.701 -11.707
  430    H    THR  15           H        THR  15  -4.618   7.069  -7.935
  431    HA   THR  15           HA       THR  15  -7.228   7.654  -8.776
  432    HB   THR  15           HB       THR  15  -6.480   5.684  -6.606
  433    HG1  THR  15           HG1      THR  15  -5.199   5.036  -8.220
  434   HG21  THR  15          HG21      THR  15  -8.684   5.674  -8.675
  435   HG22  THR  15          HG22      THR  15  -8.888   5.985  -6.951
  436   HG23  THR  15          HG23      THR  15  -8.360   4.393  -7.502
  437    H    PHE  16           H        PHE  16  -5.507   8.306  -5.809
  438    HA   PHE  16           HA       PHE  16  -7.463   9.151  -4.073
  439    HB2  PHE  16           HB2      PHE  16  -4.668   9.794  -4.570
  440    HB3  PHE  16           HB3      PHE  16  -5.557  11.195  -3.992
  441    HD1  PHE  16           HD1      PHE  16  -6.950  10.876  -1.858
  442    HD2  PHE  16           HD2      PHE  16  -3.846   8.245  -3.082
  443    HE1  PHE  16           HE1      PHE  16  -6.712  10.086   0.456
  444    HE2  PHE  16           HE2      PHE  16  -3.606   7.445  -0.774
  445    HZ   PHE  16           HZ       PHE  16  -5.040   8.370   1.001
  446    H    HIS  17           H        HIS  17  -5.727  11.477  -6.128
  447    HA   HIS  17           HA       HIS  17  -7.555  13.543  -6.032
  448    HB2  HIS  17           HB2      HIS  17  -5.613  12.753  -8.213
  449    HB3  HIS  17           HB3      HIS  17  -6.529  14.254  -8.250
  450    HD1  HIS  17           HD1      HIS  17  -5.364  16.192  -7.301
  451    HD2  HIS  17           HD2      HIS  17  -3.904  12.615  -5.748
  452    HE1  HIS  17           HE1      HIS  17  -3.444  16.830  -5.814
  453    HE2  HIS  17           HE2      HIS  17  -2.813  14.693  -4.655
  454    H    LYS  18           H        LYS  18  -7.543  10.695  -8.013
  455    HA   LYS  18           HA       LYS  18  -9.282  11.502 -10.057
  456    HB2  LYS  18           HB2      LYS  18  -7.750   9.527 -10.049
  457    HB3  LYS  18           HB3      LYS  18  -8.870   8.721  -8.964
  458    HG2  LYS  18           HG2      LYS  18 -10.603   8.824 -10.697
  459    HG3  LYS  18           HG3      LYS  18  -9.447   9.601 -11.786
  460    HD2  LYS  18           HD2      LYS  18  -7.984   7.641 -11.619
  461    HD3  LYS  18           HD3      LYS  18  -9.147   6.866 -10.543
  462    HE2  LYS  18           HE2      LYS  18  -9.461   5.974 -12.730
  463    HE3  LYS  18           HE3      LYS  18 -10.830   7.025 -12.375
  464    HZ1  LYS  18           HZ1      LYS  18  -9.884   8.739 -13.727
  465    HZ2  LYS  18           HZ2      LYS  18  -9.913   7.307 -14.635
  466    HZ3  LYS  18           HZ3      LYS  18  -8.460   7.850 -13.959
  467    H    TYR  19           H        TYR  19  -9.950  10.136  -6.848
  468    HA   TYR  19           HA       TYR  19 -12.827  10.359  -7.479
  469    HB2  TYR  19           HB2      TYR  19 -11.421   8.284  -5.807
  470    HB3  TYR  19           HB3      TYR  19 -13.162   8.539  -5.746
  471    HD1  TYR  19           HD2      TYR  19 -14.575   7.955  -7.650
  472    HD2  TYR  19           HD1      TYR  19 -10.378   7.275  -7.735
  473    HE1  TYR  19           HE2      TYR  19 -14.868   6.487  -9.601
  474    HE2  TYR  19           HE1      TYR  19 -10.647   5.815  -9.688
  475    HH   TYR  19           HH       TYR  19 -12.292   4.500 -10.803
  476    H    SER  20           H        SER  20 -10.495  10.537  -4.753
  477    HA   SER  20           HA       SER  20 -12.429  11.388  -2.878
  478    HB2  SER  20           HB2      SER  20 -10.515  12.051  -1.456
  479    HB3  SER  20           HB3      SER  20 -10.278  10.453  -2.173
  480    HG   SER  20           HG       SER  20  -9.025  11.568  -3.824
  481    H    GLY  21           H        GLY  21 -10.580  13.097  -5.264
  482    HA2  GLY  21           HA2      GLY  21 -11.058  15.711  -4.168
  483    HA3  GLY  21           HA3      GLY  21 -10.387  15.347  -5.751
  484    H    LYS  22           H        LYS  22 -13.251  13.672  -5.184
  485    HA   LYS  22           HA       LYS  22 -14.647  15.324  -7.106
  486    HB2  LYS  22           HB2      LYS  22 -14.731  12.878  -7.287
  487    HB3  LYS  22           HB3      LYS  22 -15.480  12.779  -5.701
  488    HG2  LYS  22           HG2      LYS  22 -17.442  13.923  -6.520
  489    HG3  LYS  22           HG3      LYS  22 -16.685  14.140  -8.099
  490    HD2  LYS  22           HD2      LYS  22 -16.579  11.702  -8.368
  491    HD3  LYS  22           HD3      LYS  22 -17.369  11.503  -6.801
  492    HE2  LYS  22           HE2      LYS  22 -19.345  12.615  -7.608
  493    HE3  LYS  22           HE3      LYS  22 -18.554  12.984  -9.137
  494    HZ1  LYS  22           HZ1      LYS  22 -18.998  10.214  -8.182
  495    HZ2  LYS  22           HZ2      LYS  22 -18.546  10.721  -9.736
  496    HZ3  LYS  22           HZ3      LYS  22 -20.103  11.041  -9.162
  497    H    GLU  23           H        GLU  23 -15.508  13.973  -3.899
  498    HA   GLU  23           HA       GLU  23 -17.278  16.304  -3.560
  499    HB2  GLU  23           HB2      GLU  23 -17.296  13.586  -2.260
  500    HB3  GLU  23           HB3      GLU  23 -18.279  14.925  -1.681
  501    HG2  GLU  23           HG2      GLU  23 -19.342  15.063  -3.901
  502    HG3  GLU  23           HG3      GLU  23 -18.407  13.658  -4.407
  503    H    GLY  24           H        GLY  24 -14.489  14.709  -2.198
  504    HA2  GLY  24           HA2      GLY  24 -14.506  16.688  -0.003
  505    HA3  GLY  24           HA3      GLY  24 -13.724  15.116   0.087
  506    H    ASP  25           H        ASP  25 -11.657  15.711   0.443
  507    HA   ASP  25           HA       ASP  25 -10.395  17.569  -1.446
  508    HB2  ASP  25           HB2      ASP  25 -10.122  17.603   1.202
  509    HB3  ASP  25           HB3      ASP  25  -8.895  16.386   0.854
  510    H    LYS  26           H        LYS  26  -7.996  16.794  -1.961
  511    HA   LYS  26           HA       LYS  26  -8.590  14.435  -3.544
  512    HB2  LYS  26           HB2      LYS  26  -6.143  16.207  -3.544
  513    HB3  LYS  26           HB3      LYS  26  -6.428  14.896  -4.666
  514    HG2  LYS  26           HG2      LYS  26  -7.004  16.809  -5.862
  515    HG3  LYS  26           HG3      LYS  26  -8.547  16.139  -5.343
  516    HD2  LYS  26           HD2      LYS  26  -8.594  18.517  -5.029
  517    HD3  LYS  26           HD3      LYS  26  -8.546  17.749  -3.446
  518    HE2  LYS  26           HE2      LYS  26  -5.960  18.068  -3.694
  519    HE3  LYS  26           HE3      LYS  26  -6.422  19.275  -4.889
  520    HZ1  LYS  26           HZ1      LYS  26  -7.193  19.224  -2.020
  521    HZ2  LYS  26           HZ2      LYS  26  -7.831  20.313  -3.153
  522    HZ3  LYS  26           HZ3      LYS  26  -6.175  20.350  -2.787
  523    H    PHE  27           H        PHE  27  -7.528  14.780  -0.527
  524    HA   PHE  27           HA       PHE  27  -6.045  12.251  -0.660
  525    HB2  PHE  27           HB2      PHE  27  -4.672  12.977   1.265
  526    HB3  PHE  27           HB3      PHE  27  -4.421  13.991  -0.149
  527    HD1  PHE  27           HD1      PHE  27  -6.127  13.831   3.137
  528    HD2  PHE  27           HD2      PHE  27  -4.764  16.303  -0.052
  529    HE1  PHE  27           HE1      PHE  27  -6.567  15.831   4.502
  530    HE2  PHE  27           HE2      PHE  27  -5.211  18.305   1.307
  531    HZ   PHE  27           HZ       PHE  27  -6.113  18.072   3.586
  532    H    LYS  28           H        LYS  28  -8.887  13.338  -0.005
  533    HA   LYS  28           HA       LYS  28  -9.177  11.863   2.528
  534    HB2  LYS  28           HB2      LYS  28  -9.212  14.350   2.910
  535    HB3  LYS  28           HB3      LYS  28 -10.600  14.456   1.836
  536    HG2  LYS  28           HG2      LYS  28 -11.549  14.468   3.944
  537    HG3  LYS  28           HG3      LYS  28 -11.703  12.782   3.446
  538    HD2  LYS  28           HD2      LYS  28 -10.917  12.733   5.677
  539    HD3  LYS  28           HD3      LYS  28  -9.528  12.364   4.646
  540    HE2  LYS  28           HE2      LYS  28  -8.664  14.576   4.889
  541    HE3  LYS  28           HE3      LYS  28 -10.144  15.135   5.666
  542    HZ1  LYS  28           HZ1      LYS  28  -9.614  13.513   7.489
  543    HZ2  LYS  28           HZ2      LYS  28  -8.557  14.830   7.363
  544    HZ3  LYS  28           HZ3      LYS  28  -8.085  13.314   6.780
  545    H    LEU  29           H        LEU  29 -10.542  10.252   2.285
  546    HA   LEU  29           HA       LEU  29 -12.599  10.500   0.188
  547    HB2  LEU  29           HB2      LEU  29 -11.188   8.011   1.139
  548    HB3  LEU  29           HB3      LEU  29 -12.508   8.035  -0.013
  549    HG   LEU  29           HG       LEU  29 -10.876   9.655  -1.322
  550   HD11  LEU  29          HD11      LEU  29  -8.535   8.912  -1.087
  551   HD12  LEU  29          HD12      LEU  29  -9.138   9.732   0.354
  552   HD13  LEU  29          HD13      LEU  29  -9.004   7.976   0.332
  553   HD21  LEU  29          HD21      LEU  29 -10.078   7.711  -2.567
  554   HD22  LEU  29          HD22      LEU  29 -10.600   6.658  -1.253
  555   HD23  LEU  29          HD23      LEU  29 -11.791   7.577  -2.172
  556    H    ASN  30           H        ASN  30 -14.506  10.861   1.120
  557    HA   ASN  30           HA       ASN  30 -15.261   9.531   3.575
  558    HB2  ASN  30           HB2      ASN  30 -17.372  10.661   3.372
  559    HB3  ASN  30           HB3      ASN  30 -16.124  11.818   2.917
  560   HD21  ASN  30          HD21      ASN  30 -15.929  12.441   0.768
  561   HD22  ASN  30          HD22      ASN  30 -17.171  12.126  -0.409
  562    H    LYS  31           H        LYS  31 -17.753   8.572   3.202
  563    HA   LYS  31           HA       LYS  31 -17.373   6.023   2.229
  564    HB2  LYS  31           HB2      LYS  31 -19.952   7.572   2.478
  565    HB3  LYS  31           HB3      LYS  31 -19.869   5.842   2.177
  566    HG2  LYS  31           HG2      LYS  31 -18.695   5.531   4.302
  567    HG3  LYS  31           HG3      LYS  31 -18.800   7.267   4.604
  568    HD2  LYS  31           HD2      LYS  31 -21.229   7.139   4.618
  569    HD3  LYS  31           HD3      LYS  31 -21.158   5.416   4.238
  570    HE2  LYS  31           HE2      LYS  31 -20.039   4.973   6.346
  571    HE3  LYS  31           HE3      LYS  31 -20.007   6.695   6.717
  572    HZ1  LYS  31           HZ1      LYS  31 -22.426   6.693   6.767
  573    HZ2  LYS  31           HZ2      LYS  31 -21.798   5.575   7.880
  574    HZ3  LYS  31           HZ3      LYS  31 -22.452   5.033   6.411
  575    H    SER  32           H        SER  32 -18.721   8.793   0.483
  576    HA   SER  32           HA       SER  32 -19.635   7.363  -1.777
  577    HB2  SER  32           HB2      SER  32 -20.376   9.648  -1.151
  578    HB3  SER  32           HB3      SER  32 -18.782  10.270  -1.570
  579    HG   SER  32           HG       SER  32 -19.784  10.578  -3.415
  580    H    GLU  33           H        GLU  33 -16.548   9.006  -1.104
  581    HA   GLU  33           HA       GLU  33 -15.574   8.882  -3.758
  582    HB2  GLU  33           HB2      GLU  33 -13.744   8.868  -1.368
  583    HB3  GLU  33           HB3      GLU  33 -13.530   9.681  -2.915
  584    HG2  GLU  33           HG2      GLU  33 -15.341  10.490  -0.657
  585    HG3  GLU  33           HG3      GLU  33 -13.901  11.319  -1.229
  586    H    LEU  34           H        LEU  34 -14.950   6.899  -0.881
  587    HA   LEU  34           HA       LEU  34 -13.217   5.056  -2.106
  588    HB2  LEU  34           HB2      LEU  34 -14.999   4.905   0.301
  589    HB3  LEU  34           HB3      LEU  34 -14.069   3.520  -0.230
  590    HG   LEU  34           HG       LEU  34 -12.855   6.178   0.494
  591   HD11  LEU  34          HD11      LEU  34 -12.163   5.019   2.555
  592   HD12  LEU  34          HD12      LEU  34 -13.912   5.216   2.421
  593   HD13  LEU  34          HD13      LEU  34 -13.174   3.647   2.092
  594   HD21  LEU  34          HD21      LEU  34 -10.775   4.897   0.540
  595   HD22  LEU  34          HD22      LEU  34 -11.646   3.450   0.028
  596   HD23  LEU  34          HD23      LEU  34 -11.527   4.839  -1.054
  597    H    LYS  35           H        LYS  35 -16.735   5.084  -1.716
  598    HA   LYS  35           HA       LYS  35 -17.334   2.556  -2.582
  599    HB2  LYS  35           HB2      LYS  35 -18.848   4.332  -1.621
  600    HB3  LYS  35           HB3      LYS  35 -18.888   5.059  -3.222
  601    HG2  LYS  35           HG2      LYS  35 -19.903   3.085  -4.135
  602    HG3  LYS  35           HG3      LYS  35 -19.771   2.264  -2.576
  603    HD2  LYS  35           HD2      LYS  35 -21.261   3.876  -1.561
  604    HD3  LYS  35           HD3      LYS  35 -21.334   4.793  -3.072
  605    HE2  LYS  35           HE2      LYS  35 -23.271   3.514  -3.088
  606    HE3  LYS  35           HE3      LYS  35 -22.124   2.642  -4.111
  607    HZ1  LYS  35           HZ1      LYS  35 -22.468   1.984  -1.254
  608    HZ2  LYS  35           HZ2      LYS  35 -21.747   1.050  -2.480
  609    HZ3  LYS  35           HZ3      LYS  35 -23.426   1.271  -2.463
  610    H    GLU  36           H        GLU  36 -17.150   5.529  -4.568
  611    HA   GLU  36           HA       GLU  36 -17.471   4.190  -7.026
  612    HB2  GLU  36           HB2      GLU  36 -16.582   6.883  -6.187
  613    HB3  GLU  36           HB3      GLU  36 -16.087   6.352  -7.791
  614    HG2  GLU  36           HG2      GLU  36 -18.386   5.902  -8.360
  615    HG3  GLU  36           HG3      GLU  36 -18.909   6.435  -6.766
  616    H    LEU  37           H        LEU  37 -14.578   5.113  -5.229
  617    HA   LEU  37           HA       LEU  37 -12.647   4.452  -7.116
  618    HB2  LEU  37           HB2      LEU  37 -12.426   5.575  -4.822
  619    HB3  LEU  37           HB3      LEU  37 -12.349   3.950  -4.169
  620    HG   LEU  37           HG       LEU  37 -10.452   4.574  -6.355
  621   HD11  LEU  37          HD11      LEU  37  -8.906   5.668  -4.783
  622   HD12  LEU  37          HD12      LEU  37 -10.354   6.629  -5.074
  623   HD13  LEU  37          HD13      LEU  37 -10.190   5.715  -3.575
  624   HD21  LEU  37          HD21      LEU  37  -8.974   3.224  -4.963
  625   HD22  LEU  37          HD22      LEU  37 -10.201   3.166  -3.698
  626   HD23  LEU  37          HD23      LEU  37 -10.500   2.389  -5.253
  627    H    LEU  38           H        LEU  38 -13.992   2.394  -4.546
  628    HA   LEU  38           HA       LEU  38 -12.586   0.079  -5.377
  629    HB2  LEU  38           HB2      LEU  38 -14.882   0.573  -3.523
  630    HB3  LEU  38           HB3      LEU  38 -14.405  -1.067  -3.923
  631    HG   LEU  38           HG       LEU  38 -12.081   0.428  -3.143
  632   HD11  LEU  38          HD11      LEU  38 -13.587   1.873  -1.919
  633   HD12  LEU  38          HD12      LEU  38 -14.379   0.471  -1.196
  634   HD13  LEU  38          HD13      LEU  38 -12.699   0.838  -0.799
  635   HD21  LEU  38          HD21      LEU  38 -13.554  -1.858  -1.836
  636   HD22  LEU  38          HD22      LEU  38 -12.315  -2.007  -3.083
  637   HD23  LEU  38          HD23      LEU  38 -11.896  -1.363  -1.496
  638    H    THR  39           H        THR  39 -15.839   1.273  -6.071
  639    HA   THR  39           HA       THR  39 -16.795  -1.115  -7.245
  640    HB   THR  39           HB       THR  39 -18.503   0.352  -8.387
  641    HG1  THR  39           HG1      THR  39 -17.372   2.427  -6.808
  642   HG21  THR  39          HG21      THR  39 -19.663   0.945  -6.322
  643   HG22  THR  39          HG22      THR  39 -18.166   0.736  -5.414
  644   HG23  THR  39          HG23      THR  39 -18.925  -0.652  -6.194
  645    H    ARG  40           H        ARG  40 -14.870   1.486  -8.497
  646    HA   ARG  40           HA       ARG  40 -15.336   0.676 -11.246
  647    HB2  ARG  40           HB2      ARG  40 -13.669   2.902 -10.077
  648    HB3  ARG  40           HB3      ARG  40 -13.895   2.619 -11.798
  649    HG2  ARG  40           HG2      ARG  40 -16.083   3.257  -9.828
  650    HG3  ARG  40           HG3      ARG  40 -15.347   4.398 -10.955
  651    HD2  ARG  40           HD2      ARG  40 -16.780   1.873 -11.773
  652    HD3  ARG  40           HD3      ARG  40 -17.526   3.470 -11.718
  653    HE   ARG  40           HE       ARG  40 -15.585   4.047 -13.334
  654   HH11  ARG  40          HH12      ARG  40 -17.350   1.019 -13.244
  655   HH12  ARG  40          HH11      ARG  40 -17.157   0.715 -14.944
  656   HH21  ARG  40          HH22      ARG  40 -15.312   3.635 -15.558
  657   HH22  ARG  40          HH21      ARG  40 -16.003   2.199 -16.256
  658    H    GLU  41           H        GLU  41 -12.430   1.167  -9.192
  659    HA   GLU  41           HA       GLU  41 -10.970  -0.447 -11.136
  660    HB2  GLU  41           HB2      GLU  41 -10.208   1.720  -9.288
  661    HB3  GLU  41           HB3      GLU  41  -9.010   0.459  -9.547
  662    HG2  GLU  41           HG2      GLU  41  -8.402   1.585 -11.341
  663    HG3  GLU  41           HG3      GLU  41  -9.889   1.014 -12.089
  664    H    LEU  42           H        LEU  42 -12.361  -0.914  -8.083
  665    HA   LEU  42           HA       LEU  42 -10.601  -3.263  -7.737
  666    HB2  LEU  42           HB2      LEU  42 -11.975  -1.753  -5.509
  667    HB3  LEU  42           HB3      LEU  42 -10.956  -3.167  -5.323
  668    HG   LEU  42           HG       LEU  42  -9.089  -1.714  -6.336
  669   HD11  LEU  42          HD11      LEU  42 -10.470   0.111  -7.136
  670   HD12  LEU  42          HD12      LEU  42 -11.046   0.432  -5.496
  671   HD13  LEU  42          HD13      LEU  42  -9.343   0.688  -5.905
  672   HD21  LEU  42          HD21      LEU  42 -10.213  -1.113  -3.603
  673   HD22  LEU  42          HD22      LEU  42  -9.160  -2.465  -4.021
  674   HD23  LEU  42          HD23      LEU  42  -8.557  -0.811  -4.129
  675    HA   PRO  43           HA       PRO  43 -15.302  -4.116  -7.915
  676    HB2  PRO  43           HB2      PRO  43 -15.520  -5.398 -10.294
  677    HB3  PRO  43           HB3      PRO  43 -15.655  -3.643 -10.134
  678    HG2  PRO  43           HG2      PRO  43 -13.342  -5.295 -11.048
  679    HG3  PRO  43           HG3      PRO  43 -13.926  -3.739 -11.665
  680    HD2  PRO  43           HD2      PRO  43 -11.779  -4.004  -9.992
  681    HD3  PRO  43           HD3      PRO  43 -12.785  -2.545 -10.081
  682    H    SER  44           H        SER  44 -12.491  -6.011  -8.668
  683    HA   SER  44           HA       SER  44 -13.674  -8.559  -8.157
  684    HB2  SER  44           HB2      SER  44 -10.743  -7.811  -8.023
  685    HB3  SER  44           HB3      SER  44 -11.424  -9.416  -8.290
  686    HG   SER  44           HG       SER  44 -10.695  -8.342 -10.225
  687    H    PHE  45           H        PHE  45 -12.283  -6.015  -6.263
  688    HA   PHE  45           HA       PHE  45 -12.008  -7.689  -3.889
  689    HB2  PHE  45           HB2      PHE  45 -11.376  -4.757  -4.309
  690    HB3  PHE  45           HB3      PHE  45 -11.020  -5.681  -2.853
  691    HD1  PHE  45           HD2      PHE  45  -9.415  -7.603  -3.004
  692    HD2  PHE  45           HD1      PHE  45  -9.910  -4.766  -6.137
  693    HE1  PHE  45           HE2      PHE  45  -7.252  -8.288  -3.962
  694    HE2  PHE  45           HE1      PHE  45  -7.748  -5.443  -7.098
  695    HZ   PHE  45           HZ       PHE  45  -6.417  -7.206  -6.010
  696    H    LEU  46           H        LEU  46 -14.528  -6.421  -5.345
  697    HA   LEU  46           HA       LEU  46 -15.823  -5.693  -2.812
  698    HB2  LEU  46           HB2      LEU  46 -16.544  -4.916  -5.626
  699    HB3  LEU  46           HB3      LEU  46 -17.558  -4.601  -4.222
  700    HG   LEU  46           HG       LEU  46 -14.852  -3.428  -4.834
  701   HD11  LEU  46          HD11      LEU  46 -16.736  -2.417  -5.984
  702   HD12  LEU  46          HD12      LEU  46 -17.599  -2.244  -4.455
  703   HD13  LEU  46          HD13      LEU  46 -16.118  -1.329  -4.740
  704   HD21  LEU  46          HD21      LEU  46 -15.102  -2.210  -2.706
  705   HD22  LEU  46          HD22      LEU  46 -16.512  -3.201  -2.323
  706   HD23  LEU  46          HD23      LEU  46 -14.921  -3.949  -2.467
  707    H    GLY  47           H        GLY  47 -15.557  -8.087  -5.105
  708    HA2  GLY  47           HA2      GLY  47 -16.658 -10.072  -5.402
  709    HA3  GLY  47           HA3      GLY  47 -17.354  -9.783  -3.817
  710    H    LYS  48           H        LYS  48 -17.959  -7.474  -6.305
  711    HA   LYS  48           HA       LYS  48 -19.724  -6.982  -7.644
  712    HB2  LYS  48           HB2      LYS  48 -19.636  -9.418  -8.266
  713    HB3  LYS  48           HB3      LYS  48 -20.840  -9.718  -7.021
  714    HG2  LYS  48           HG2      LYS  48 -21.875  -9.571  -9.206
  715    HG3  LYS  48           HG3      LYS  48 -22.402  -8.236  -8.178
  716    HD2  LYS  48           HD2      LYS  48 -20.870  -6.732  -9.257
  717    HD3  LYS  48           HD3      LYS  48 -20.175  -8.052 -10.192
  718    HE2  LYS  48           HE2      LYS  48 -22.346  -8.377 -11.303
  719    HE3  LYS  48           HE3      LYS  48 -23.004  -7.024 -10.382
  720    HZ1  LYS  48           HZ1      LYS  48 -20.743  -6.861 -12.305
  721    HZ2  LYS  48           HZ2      LYS  48 -21.403  -5.564 -11.431
  722    HZ3  LYS  48           HZ3      LYS  48 -22.335  -6.356 -12.608
  723    H    ARG  49           H        ARG  49 -20.779  -8.810  -4.790
  724    HA   ARG  49           HA       ARG  49 -23.217  -7.261  -4.587
  725    HB2  ARG  49           HB2      ARG  49 -23.713  -8.733  -2.668
  726    HB3  ARG  49           HB3      ARG  49 -23.309  -9.642  -4.119
  727    HG2  ARG  49           HG2      ARG  49 -21.097 -10.086  -3.278
  728    HG3  ARG  49           HG3      ARG  49 -21.391  -9.063  -1.872
  729    HD2  ARG  49           HD2      ARG  49 -21.763 -11.159  -1.008
  730    HD3  ARG  49           HD3      ARG  49 -23.392 -10.667  -1.463
  731    HE   ARG  49           HE       ARG  49 -21.766 -12.321  -3.280
  732   HH11  ARG  49          HH12      ARG  49 -24.684 -11.800  -1.408
  733   HH12  ARG  49          HH11      ARG  49 -25.430 -13.290  -1.916
  734   HH21  ARG  49          HH22      ARG  49 -22.732 -14.289  -3.932
  735   HH22  ARG  49          HH21      ARG  49 -24.326 -14.696  -3.364
  736    H    THR  50           H        THR  50 -21.448  -5.383  -4.378
  737    HA   THR  50           HA       THR  50 -20.870  -4.965  -1.533
  738    HB   THR  50           HB       THR  50 -19.744  -2.879  -3.052
  739    HG1  THR  50           HG1      THR  50 -18.984  -5.418  -4.091
  740   HG21  THR  50          HG21      THR  50 -18.868  -3.856  -0.980
  741   HG22  THR  50          HG22      THR  50 -17.654  -3.896  -2.257
  742   HG23  THR  50          HG23      THR  50 -18.528  -5.366  -1.826
  743    H    ASP  51           H        ASP  51 -22.559  -4.132  -0.624
  744    HA   ASP  51           HA       ASP  51 -23.525  -1.555  -1.673
  745    HB2  ASP  51           HB2      ASP  51 -25.193  -3.495  -1.151
  746    HB3  ASP  51           HB3      ASP  51 -24.892  -3.088   0.534
  747    H    GLU  52           H        GLU  52 -24.463  -0.510   0.742
  748    HA   GLU  52           HA       GLU  52 -22.059   0.542   1.797
  749    HB2  GLU  52           HB2      GLU  52 -24.859   0.683   2.926
  750    HB3  GLU  52           HB3      GLU  52 -23.515   1.726   3.368
  751    HG2  GLU  52           HG2      GLU  52 -24.676   1.534   0.599
  752    HG3  GLU  52           HG3      GLU  52 -25.119   2.758   1.786
  753    H    ALA  53           H        ALA  53 -23.900  -2.250   2.570
  754    HA   ALA  53           HA       ALA  53 -23.186  -2.627   5.259
  755    HB1  ALA  53           HB1      ALA  53 -23.715  -4.728   3.161
  756    HB2  ALA  53           HB2      ALA  53 -23.750  -4.968   4.908
  757    HB3  ALA  53           HB3      ALA  53 -24.939  -3.917   4.140
  758    H    ALA  54           H        ALA  54 -21.542  -3.618   2.261
  759    HA   ALA  54           HA       ALA  54 -19.416  -4.902   3.732
  760    HB1  ALA  54           HB1      ALA  54 -18.402  -5.341   1.555
  761    HB2  ALA  54           HB2      ALA  54 -20.104  -5.810   1.560
  762    HB3  ALA  54           HB3      ALA  54 -19.606  -4.310   0.774
  763    H    PHE  55           H        PHE  55 -20.123  -1.776   2.562
  764    HA   PHE  55           HA       PHE  55 -17.361  -0.901   2.523
  765    HB2  PHE  55           HB2      PHE  55 -19.990   0.332   1.839
  766    HB3  PHE  55           HB3      PHE  55 -18.633   1.391   2.208
  767    HD1  PHE  55           HD2      PHE  55 -19.861  -1.225  -0.106
  768    HD2  PHE  55           HD1      PHE  55 -16.843   1.677   0.709
  769    HE1  PHE  55           HE2      PHE  55 -19.010  -1.459  -2.401
  770    HE2  PHE  55           HE1      PHE  55 -15.992   1.435  -1.581
  771    HZ   PHE  55           HZ       PHE  55 -17.073  -0.131  -3.140
  772    H    GLN  56           H        GLN  56 -19.968  -1.015   4.770
  773    HA   GLN  56           HA       GLN  56 -19.384   1.248   6.319
  774    HB2  GLN  56           HB2      GLN  56 -21.480  -0.121   6.441
  775    HB3  GLN  56           HB3      GLN  56 -20.570  -1.337   7.330
  776    HG2  GLN  56           HG2      GLN  56 -20.085   0.328   9.070
  777    HG3  GLN  56           HG3      GLN  56 -21.053   1.508   8.189
  778   HE21  GLN  56          HE21      GLN  56 -21.827  -1.891   8.466
  779   HE22  GLN  56          HE22      GLN  56 -23.247  -1.685   9.443
  780    H    LYS  57           H        LYS  57 -18.328  -2.144   6.767
  781    HA   LYS  57           HA       LYS  57 -16.763  -1.434   9.061
  782    HB2  LYS  57           HB2      LYS  57 -17.791  -3.799   8.217
  783    HB3  LYS  57           HB3      LYS  57 -16.129  -3.969   7.666
  784    HG2  LYS  57           HG2      LYS  57 -17.012  -3.393  10.493
  785    HG3  LYS  57           HG3      LYS  57 -16.408  -4.933   9.879
  786    HD2  LYS  57           HD2      LYS  57 -14.242  -4.076   9.563
  787    HD3  LYS  57           HD3      LYS  57 -14.792  -2.410   9.707
  788    HE2  LYS  57           HE2      LYS  57 -13.682  -2.880  11.714
  789    HE3  LYS  57           HE3      LYS  57 -15.402  -2.964  12.100
  790    HZ1  LYS  57           HZ1      LYS  57 -13.579  -5.267  11.636
  791    HZ2  LYS  57           HZ2      LYS  57 -15.258  -5.402  11.883
  792    HZ3  LYS  57           HZ3      LYS  57 -14.264  -4.797  13.114
  793    H    LEU  58           H        LEU  58 -16.236  -1.749   5.637
  794    HA   LEU  58           HA       LEU  58 -13.450  -1.617   5.528
  795    HB2  LEU  58           HB2      LEU  58 -14.737  -1.956   3.525
  796    HB3  LEU  58           HB3      LEU  58 -15.581  -0.435   3.748
  797    HG   LEU  58           HG       LEU  58 -13.576   0.813   3.243
  798   HD11  LEU  58          HD11      LEU  58 -11.983  -0.760   4.263
  799   HD12  LEU  58          HD12      LEU  58 -12.203  -1.848   2.896
  800   HD13  LEU  58          HD13      LEU  58 -11.498  -0.251   2.644
  801   HD21  LEU  58          HD21      LEU  58 -13.154  -0.158   0.893
  802   HD22  LEU  58          HD22      LEU  58 -14.395  -1.335   1.317
  803   HD23  LEU  58          HD23      LEU  58 -14.780   0.386   1.303
  804    H    MET  59           H        MET  59 -15.610   1.124   5.007
  805    HA   MET  59           HA       MET  59 -14.177   3.294   5.566
  806    HB2  MET  59           HB2      MET  59 -16.742   2.913   5.204
  807    HB3  MET  59           HB3      MET  59 -16.809   2.984   6.960
  808    HG2  MET  59           HG2      MET  59 -17.275   5.148   6.078
  809    HG3  MET  59           HG3      MET  59 -15.695   5.182   6.870
  810    HE1  MET  59           HE1      MET  59 -14.153   7.324   4.379
  811    HE2  MET  59           HE2      MET  59 -15.706   7.654   5.165
  812    HE3  MET  59           HE3      MET  59 -14.430   6.818   6.051
  813    H    SER  60           H        SER  60 -15.635   1.219   8.044
  814    HA   SER  60           HA       SER  60 -14.923   2.709  10.299
  815    HB2  SER  60           HB2      SER  60 -16.564   0.789  10.142
  816    HB3  SER  60           HB3      SER  60 -15.162  -0.285  10.174
  817    HG   SER  60           HG       SER  60 -16.427   0.907  12.218
  818    H    ASN  61           H        ASN  61 -13.295  -0.134   8.886
  819    HA   ASN  61           HA       ASN  61 -11.196  -0.211  10.787
  820    HB2  ASN  61           HB2      ASN  61 -11.669  -1.455   8.114
  821    HB3  ASN  61           HB3      ASN  61 -10.052  -1.525   8.810
  822   HD21  ASN  61          HD21      ASN  61 -11.850  -3.698   8.267
  823   HD22  ASN  61          HD22      ASN  61 -12.123  -4.491   9.781
  824    H    LEU  62           H        LEU  62 -11.608   1.290   7.709
  825    HA   LEU  62           HA       LEU  62  -8.938   2.213   7.360
  826    HB2  LEU  62           HB2      LEU  62 -11.578   2.795   6.155
  827    HB3  LEU  62           HB3      LEU  62 -10.360   4.046   5.997
  828    HG   LEU  62           HG       LEU  62  -8.899   2.578   4.796
  829   HD11  LEU  62          HD11      LEU  62  -9.307   0.524   6.030
  830   HD12  LEU  62          HD12      LEU  62 -10.921   0.408   5.328
  831   HD13  LEU  62          HD13      LEU  62  -9.498   0.261   4.296
  832   HD21  LEU  62          HD21      LEU  62 -10.665   3.669   3.518
  833   HD22  LEU  62          HD22      LEU  62 -10.267   2.093   2.835
  834   HD23  LEU  62          HD23      LEU  62 -11.729   2.292   3.800
  835    H    ASP  63           H        ASP  63 -11.846   3.693   8.662
  836    HA   ASP  63           HA       ASP  63 -10.676   6.185   9.324
  837    HB2  ASP  63           HB2      ASP  63 -13.082   5.885   8.999
  838    HB3  ASP  63           HB3      ASP  63 -13.151   4.789  10.370
  839    H    SER  64           H        SER  64  -8.709   5.526  10.376
  840    HA   SER  64           HA       SER  64  -8.966   4.143  12.922
  841    HB2  SER  64           HB2      SER  64  -6.648   3.772  12.821
  842    HB3  SER  64           HB3      SER  64  -7.114   3.750  11.122
  843    HG   SER  64           HG       SER  64  -6.479   5.987  11.043
  844    H    ASN  65           H        ASN  65  -8.400   7.307  11.613
  845    HA   ASN  65           HA       ASN  65  -7.629   8.465  14.141
  846    HB2  ASN  65           HB2      ASN  65  -7.511  10.560  12.964
  847    HB3  ASN  65           HB3      ASN  65  -6.791   9.319  11.947
  848   HD21  ASN  65          HD21      ASN  65  -7.888  11.907  11.229
  849   HD22  ASN  65          HD22      ASN  65  -9.134  11.598  10.066
  850    H    ARG  66           H        ARG  66 -10.503   7.557  12.713
  851    HA   ARG  66           HA       ARG  66 -12.651   7.624  13.393
  852    HB2  ARG  66           HB2      ARG  66 -11.677   9.035  15.878
  853    HB3  ARG  66           HB3      ARG  66 -13.197   8.177  15.676
  854    HG2  ARG  66           HG2      ARG  66 -10.428   7.016  15.795
  855    HG3  ARG  66           HG3      ARG  66 -11.758   6.774  16.926
  856    HD2  ARG  66           HD2      ARG  66 -11.760   5.883  14.047
  857    HD3  ARG  66           HD3      ARG  66 -11.371   4.846  15.416
  858    HE   ARG  66           HE       ARG  66 -13.850   5.890  15.978
  859   HH11  ARG  66          HH12      ARG  66 -12.456   4.074  13.331
  860   HH12  ARG  66          HH11      ARG  66 -13.911   3.188  13.001
  861   HH21  ARG  66          HH22      ARG  66 -15.776   4.715  15.562
  862   HH22  ARG  66          HH21      ARG  66 -15.800   3.556  14.269
  863    H    ASP  67           H        ASP  67 -12.549   9.216  11.546
  864    HA   ASP  67           HA       ASP  67 -13.808  11.727  12.445
  865    HB2  ASP  67           HB2      ASP  67 -11.481  12.156  11.735
  866    HB3  ASP  67           HB3      ASP  67 -11.838  11.445  10.165
  867    H    ASN  68           H        ASN  68 -14.034   8.913  10.681
  868    HA   ASN  68           HA       ASN  68 -15.654   8.019   9.353
  869    HB2  ASN  68           HB2      ASN  68 -17.035  10.672   9.774
  870    HB3  ASN  68           HB3      ASN  68 -17.729   9.354   8.837
  871   HD21  ASN  68          HD21      ASN  68 -18.709  10.607  11.258
  872   HD22  ASN  68          HD22      ASN  68 -18.859   9.342  12.433
  873    H    GLU  69           H        GLU  69 -13.541  10.165   8.509
  874    HA   GLU  69           HA       GLU  69 -14.147   9.762   5.677
  875    HB2  GLU  69           HB2      GLU  69 -13.106  12.317   6.919
  876    HB3  GLU  69           HB3      GLU  69 -13.042  11.974   5.196
  877    HG2  GLU  69           HG2      GLU  69 -15.493  11.818   5.155
  878    HG3  GLU  69           HG3      GLU  69 -15.529  12.223   6.872
  879    H    VAL  70           H        VAL  70 -12.525   8.723   4.714
  880    HA   VAL  70           HA       VAL  70 -10.300   7.909   6.284
  881    HB   VAL  70           HB       VAL  70 -10.794   7.549   3.329
  882   HG11  VAL  70          HG11      VAL  70  -8.437   7.312   3.853
  883   HG12  VAL  70          HG12      VAL  70  -8.828   6.166   5.135
  884   HG13  VAL  70          HG13      VAL  70  -9.152   5.751   3.452
  885   HG21  VAL  70          HG21      VAL  70 -11.474   5.272   3.993
  886   HG22  VAL  70          HG22      VAL  70 -11.309   5.743   5.683
  887   HG23  VAL  70          HG23      VAL  70 -12.524   6.518   4.667
  888    H    ASP  71           H        ASP  71  -8.859   9.327   6.817
  889    HA   ASP  71           HA       ASP  71  -7.970  11.487   5.224
  890    HB2  ASP  71           HB2      ASP  71  -7.770  11.384   7.709
  891    HB3  ASP  71           HB3      ASP  71  -6.553  10.119   7.531
  892    H    PHE  72           H        PHE  72  -5.576  11.649   4.634
  893    HA   PHE  72           HA       PHE  72  -5.095   9.994   2.495
  894    HB2  PHE  72           HB2      PHE  72  -4.053  12.185   2.776
  895    HB3  PHE  72           HB3      PHE  72  -3.079  11.561   4.110
  896    HD1  PHE  72           HD1      PHE  72  -3.898  10.774   0.593
  897    HD2  PHE  72           HD2      PHE  72  -0.944  10.842   3.643
  898    HE1  PHE  72           HE1      PHE  72  -2.256   9.953  -1.013
  899    HE2  PHE  72           HE2      PHE  72   0.723  10.071   2.049
  900    HZ   PHE  72           HZ       PHE  72   0.089   9.583  -0.279
  901    H    GLN  73           H        GLN  73  -3.767   9.748   5.750
  902    HA   GLN  73           HA       GLN  73  -1.994   7.612   5.130
  903    HB2  GLN  73           HB2      GLN  73  -2.982   8.497   7.845
  904    HB3  GLN  73           HB3      GLN  73  -1.583   7.483   7.525
  905    HG2  GLN  73           HG2      GLN  73  -0.647   9.438   6.213
  906    HG3  GLN  73           HG3      GLN  73  -1.937  10.402   6.931
  907   HE21  GLN  73          HE21      GLN  73  -0.304   7.778   8.560
  908   HE22  GLN  73          HE22      GLN  73   0.518   8.750   9.729
  909    H    GLU  74           H        GLU  74  -5.315   7.827   6.125
  910    HA   GLU  74           HA       GLU  74  -5.488   5.181   7.216
  911    HB2  GLU  74           HB2      GLU  74  -7.867   6.613   6.104
  912    HB3  GLU  74           HB3      GLU  74  -7.741   5.629   7.553
  913    HG2  GLU  74           HG2      GLU  74  -6.592   8.386   7.247
  914    HG3  GLU  74           HG3      GLU  74  -8.139   8.019   7.995
  915    H    TYR  75           H        TYR  75  -5.454   6.610   4.142
  916    HA   TYR  75           HA       TYR  75  -7.017   4.579   2.822
  917    HB2  TYR  75           HB2      TYR  75  -7.064   6.916   2.067
  918    HB3  TYR  75           HB3      TYR  75  -5.351   6.824   1.675
  919    HD1  TYR  75           HD2      TYR  75  -4.612   5.199  -0.100
  920    HD2  TYR  75           HD1      TYR  75  -8.691   6.240   0.532
  921    HE1  TYR  75           HE2      TYR  75  -5.151   4.345  -2.342
  922    HE2  TYR  75           HE1      TYR  75  -9.243   5.373  -1.725
  923    HH   TYR  75           HH       TYR  75  -7.121   3.459  -3.525
  924    H    CYS  76           H        CYS  76  -3.589   5.381   3.146
  925    HA   CYS  76           HA       CYS  76  -2.685   3.559   1.182
  926    HB2  CYS  76           HB2      CYS  76  -1.169   4.564   3.577
  927    HB3  CYS  76           HB3      CYS  76  -0.485   3.917   2.092
  928    HG   CYS  76           HG       CYS  76  -1.996   6.114   0.695
  929    H    VAL  77           H        VAL  77  -3.324   3.214   4.604
  930    HA   VAL  77           HA       VAL  77  -2.342   0.528   4.701
  931    HB   VAL  77           HB       VAL  77  -3.387   0.411   6.908
  932   HG11  VAL  77          HG11      VAL  77  -1.854   2.938   6.322
  933   HG12  VAL  77          HG12      VAL  77  -2.079   2.245   7.929
  934   HG13  VAL  77          HG13      VAL  77  -1.184   1.349   6.703
  935   HG21  VAL  77          HG21      VAL  77  -5.404   1.726   6.469
  936   HG22  VAL  77          HG22      VAL  77  -4.520   2.364   7.856
  937   HG23  VAL  77          HG23      VAL  77  -4.423   3.182   6.295
  938    H    PHE  78           H        PHE  78  -5.377   2.049   3.932
  939    HA   PHE  78           HA       PHE  78  -7.049  -0.170   3.878
  940    HB2  PHE  78           HB2      PHE  78  -8.135   1.833   3.412
  941    HB3  PHE  78           HB3      PHE  78  -6.866   2.392   2.336
  942    HD1  PHE  78           HD1      PHE  78  -9.574  -0.173   2.526
  943    HD2  PHE  78           HD2      PHE  78  -7.205   2.381   0.085
  944    HE1  PHE  78           HE1      PHE  78 -10.959  -0.763   0.574
  945    HE2  PHE  78           HE2      PHE  78  -8.570   1.801  -1.871
  946    HZ   PHE  78           HZ       PHE  78 -10.459   0.231  -1.628
  947    H    LEU  79           H        LEU  79  -4.984   1.133   1.289
  948    HA   LEU  79           HA       LEU  79  -5.604  -0.975  -0.488
  949    HB2  LEU  79           HB2      LEU  79  -3.784   1.341  -0.504
  950    HB3  LEU  79           HB3      LEU  79  -3.379   0.014  -1.586
  951    HG   LEU  79           HG       LEU  79  -5.906   1.639  -1.539
  952   HD11  LEU  79          HD11      LEU  79  -5.294   2.118  -3.847
  953   HD12  LEU  79          HD12      LEU  79  -4.007   2.602  -2.743
  954   HD13  LEU  79          HD13      LEU  79  -3.850   1.117  -3.682
  955   HD21  LEU  79          HD21      LEU  79  -6.761   0.119  -3.241
  956   HD22  LEU  79          HD22      LEU  79  -5.311  -0.877  -3.094
  957   HD23  LEU  79          HD23      LEU  79  -6.433  -0.753  -1.738
  958    H    SER  80           H        SER  80  -2.648  -0.328   1.388
  959    HA   SER  80           HA       SER  80  -1.244  -2.518   0.363
  960    HB2  SER  80           HB2      SER  80  -0.990  -1.101   3.010
  961    HB3  SER  80           HB3      SER  80   0.191  -2.245   2.364
  962    HG   SER  80           HG       SER  80   0.983  -0.603   1.353
  963    H    CYS  81           H        CYS  81  -3.640  -2.306   2.880
  964    HA   CYS  81           HA       CYS  81  -3.194  -4.966   3.823
  965    HB2  CYS  81           HB2      CYS  81  -5.347  -2.927   4.251
  966    HB3  CYS  81           HB3      CYS  81  -5.517  -4.575   4.868
  967    HG   CYS  81           HG       CYS  81  -3.321  -2.158   5.793
  968    H    ILE  82           H        ILE  82  -4.757  -3.631   1.085
  969    HA   ILE  82           HA       ILE  82  -6.454  -5.956   0.713
  970    HB   ILE  82           HB       ILE  82  -5.891  -3.937  -1.451
  971   HG12  ILE  82          HG12      ILE  82  -7.909  -3.732   0.790
  972   HG13  ILE  82          HG13      ILE  82  -6.547  -2.650   0.515
  973   HG21  ILE  82          HG21      ILE  82  -8.365  -5.529  -0.782
  974   HG22  ILE  82          HG22      ILE  82  -8.065  -4.584  -2.242
  975   HG23  ILE  82          HG23      ILE  82  -7.135  -6.054  -1.940
  976   HD11  ILE  82          HD11      ILE  82  -8.629  -1.657  -0.225
  977   HD12  ILE  82          HD12      ILE  82  -7.544  -1.931  -1.587
  978   HD13  ILE  82          HD13      ILE  82  -8.906  -3.016  -1.313
  979    H    ALA  83           H        ALA  83  -3.211  -4.897  -0.164
  980    HA   ALA  83           HA       ALA  83  -2.524  -6.898  -1.968
  981    HB1  ALA  83           HB1      ALA  83  -0.292  -6.884  -0.934
  982    HB2  ALA  83           HB2      ALA  83  -0.904  -5.249  -1.189
  983    HB3  ALA  83           HB3      ALA  83  -0.937  -5.960   0.424
  984    H    MET  84           H        MET  84  -2.527  -7.029   1.564
  985    HA   MET  84           HA       MET  84  -2.048  -9.781   1.805
  986    HB2  MET  84           HB2      MET  84  -3.356  -7.797   3.649
  987    HB3  MET  84           HB3      MET  84  -3.162  -9.488   4.092
  988    HG2  MET  84           HG2      MET  84  -0.774  -9.315   3.910
  989    HG3  MET  84           HG3      MET  84  -0.901  -7.670   3.294
  990    HE1  MET  84           HE1      MET  84  -1.613  -5.599   4.723
  991    HE2  MET  84           HE2      MET  84  -3.141  -6.408   5.072
  992    HE3  MET  84           HE3      MET  84  -2.195  -5.698   6.386
  993    H    MET  85           H        MET  85  -5.041  -7.974   1.380
  994    HA   MET  85           HA       MET  85  -6.854 -10.124   1.585
  995    HB2  MET  85           HB2      MET  85  -7.445  -7.648   1.291
  996    HB3  MET  85           HB3      MET  85  -7.054  -7.853  -0.400
  997    HG2  MET  85           HG2      MET  85  -8.743  -9.806  -0.334
  998    HG3  MET  85           HG3      MET  85  -9.315  -9.027   1.144
  999    HE1  MET  85           HE1      MET  85 -10.745  -5.708   0.040
 1000    HE2  MET  85           HE2      MET  85 -10.881  -7.023   1.214
 1001    HE3  MET  85           HE3      MET  85  -9.330  -6.189   0.989
 1002    H    CYS  86           H        CYS  86  -5.109  -8.755  -1.162
 1003    HA   CYS  86           HA       CYS  86  -6.136 -10.451  -3.138
 1004    HB2  CYS  86           HB2      CYS  86  -4.931  -8.272  -3.500
 1005    HB3  CYS  86           HB3      CYS  86  -3.423  -9.122  -3.173
 1006    HG   CYS  86           HG       CYS  86  -4.141 -11.016  -5.342
 1007    H    ASN  87           H        ASN  87  -3.817 -11.074  -0.694
 1008    HA   ASN  87           HA       ASN  87  -2.439 -13.242  -1.828
 1009    HB2  ASN  87           HB2      ASN  87  -1.816 -12.293   0.334
 1010    HB3  ASN  87           HB3      ASN  87  -3.347 -12.809   1.027
 1011   HD21  ASN  87          HD21      ASN  87  -1.407 -14.724  -1.184
 1012   HD22  ASN  87          HD22      ASN  87  -0.991 -15.953  -0.041
 1013    H    GLU  88           H        GLU  88  -5.391 -13.223   0.157
 1014    HA   GLU  88           HA       GLU  88  -5.945 -15.993  -0.421
 1015    HB2  GLU  88           HB2      GLU  88  -6.520 -14.710   1.738
 1016    HB3  GLU  88           HB3      GLU  88  -7.847 -14.013   0.822
 1017    HG2  GLU  88           HG2      GLU  88  -8.607 -15.906   2.129
 1018    HG3  GLU  88           HG3      GLU  88  -8.753 -16.234   0.403
 1019    H    PHE  89           H        PHE  89  -7.123 -12.842  -1.370
 1020    HA   PHE  89           HA       PHE  89  -9.223 -13.930  -2.997
 1021    HB2  PHE  89           HB2      PHE  89  -8.340 -11.183  -2.209
 1022    HB3  PHE  89           HB3      PHE  89  -9.327 -11.365  -3.673
 1023    HD1  PHE  89           HD2      PHE  89  -9.196 -12.084  -0.048
 1024    HD2  PHE  89           HD1      PHE  89 -11.639 -11.785  -3.520
 1025    HE1  PHE  89           HE2      PHE  89 -11.208 -12.291   1.353
 1026    HE2  PHE  89           HE1      PHE  89 -13.654 -11.997  -2.125
 1027    HZ   PHE  89           HZ       PHE  89 -13.440 -12.251   0.314
 1028    H    PHE  90           H        PHE  90  -6.034 -13.910  -3.431
 1029    HA   PHE  90           HA       PHE  90  -5.609 -13.223  -6.113
 1030    HB2  PHE  90           HB2      PHE  90  -3.865 -13.984  -4.440
 1031    HB3  PHE  90           HB3      PHE  90  -4.446 -15.625  -4.675
 1032    HD1  PHE  90           HD2      PHE  90  -4.176 -16.706  -6.918
 1033    HD2  PHE  90           HD1      PHE  90  -2.365 -12.979  -5.946
 1034    HE1  PHE  90           HE2      PHE  90  -2.608 -16.982  -8.793
 1035    HE2  PHE  90           HE1      PHE  90  -0.788 -13.254  -7.817
 1036    HZ   PHE  90           HZ       PHE  90  -0.911 -15.255  -9.245
 1037    H    GLU  91           H        GLU  91  -6.477 -16.365  -4.697
 1038    HA   GLU  91           HA       GLU  91  -7.221 -17.524  -7.193
 1039    HB2  GLU  91           HB2      GLU  91  -7.866 -18.371  -4.362
 1040    HB3  GLU  91           HB3      GLU  91  -8.141 -19.349  -5.797
 1041    HG2  GLU  91           HG2      GLU  91  -5.453 -18.373  -4.857
 1042    HG3  GLU  91           HG3      GLU  91  -6.107 -19.986  -4.576
 1043    H    GLY  92           H        GLY  92  -8.883 -15.849  -4.605
 1044    HA2  GLY  92           HA2      GLY  92 -10.767 -14.489  -4.929
 1045    HA3  GLY  92           HA3      GLY  92 -11.066 -15.303  -6.456
 1046    H    PHE  93           H        PHE  93 -10.477 -17.254  -3.676
 1047    HA   PHE  93           HA       PHE  93 -13.268 -18.039  -3.648
 1048    HB2  PHE  93           HB2      PHE  93 -10.723 -19.366  -2.751
 1049    HB3  PHE  93           HB3      PHE  93 -12.299 -19.973  -2.300
 1050    HD1  PHE  93           HD1      PHE  93 -13.830 -20.859  -4.013
 1051    HD2  PHE  93           HD2      PHE  93  -9.855 -19.667  -4.946
 1052    HE1  PHE  93           HE1      PHE  93 -13.961 -22.100  -6.135
 1053    HE2  PHE  93           HE2      PHE  93  -9.977 -20.904  -7.070
 1054    HZ   PHE  93           HZ       PHE  93 -12.034 -22.123  -7.667
 1055    HA   PRO  94           HA       PRO  94 -13.261 -15.943   0.349
 1056    HB2  PRO  94           HB2      PRO  94 -16.051 -15.517   0.140
 1057    HB3  PRO  94           HB3      PRO  94 -14.774 -14.347  -0.196
 1058    HG2  PRO  94           HG2      PRO  94 -16.532 -15.452  -2.075
 1059    HG3  PRO  94           HG3      PRO  94 -15.039 -14.569  -2.434
 1060    HD2  PRO  94           HD2      PRO  94 -15.542 -17.507  -2.381
 1061    HD3  PRO  94           HD3      PRO  94 -14.449 -16.562  -3.417
 1062    H    ASP  95           H        ASP  95 -12.834 -18.104   1.149
 1063    HA   ASP  95           HA       ASP  95 -13.232 -19.921   2.434
 1064    HB2  ASP  95           HB2      ASP  95 -15.708 -18.348   3.145
 1065    HB3  ASP  95           HB3      ASP  95 -15.271 -19.865   3.921
 1066    H    LYS  96           H        LYS  96 -13.380 -21.469   0.854
 1067    HA   LYS  96           HA       LYS  96 -15.943 -22.021  -0.377
 1068    HB2  LYS  96           HB2      LYS  96 -13.719 -22.341  -1.541
 1069    HB3  LYS  96           HB3      LYS  96 -13.444 -23.720  -0.487
 1070    HG2  LYS  96           HG2      LYS  96 -15.323 -24.882  -1.411
 1071    HG3  LYS  96           HG3      LYS  96 -15.800 -23.461  -2.341
 1072    HD2  LYS  96           HD2      LYS  96 -13.748 -23.609  -3.648
 1073    HD3  LYS  96           HD3      LYS  96 -13.224 -24.997  -2.691
 1074    HE2  LYS  96           HE2      LYS  96 -15.720 -24.902  -4.385
 1075    HE3  LYS  96           HE3      LYS  96 -14.193 -25.635  -4.876
 1076    HZ1  LYS  96           HZ1      LYS  96 -15.893 -26.474  -2.587
 1077    HZ2  LYS  96           HZ2      LYS  96 -14.387 -27.149  -2.975
 1078    HZ3  LYS  96           HZ3      LYS  96 -15.691 -27.310  -4.050
 1079    H    GLN  97           H        GLN  97 -16.584 -22.066   2.053
 1080    HA   GLN  97           HA       GLN  97 -16.193 -24.618   3.346
 1081    HB2  GLN  97           HB2      GLN  97 -16.230 -22.584   4.695
 1082    HB3  GLN  97           HB3      GLN  97 -17.862 -22.230   4.148
 1083    HG2  GLN  97           HG2      GLN  97 -17.846 -23.152   6.396
 1084    HG3  GLN  97           HG3      GLN  97 -18.692 -24.215   5.272
 1085   HE21  GLN  97          HE21      GLN  97 -17.783 -26.197   4.732
 1086   HE22  GLN  97          HE22      GLN  97 -16.505 -26.901   5.662
 1087    HA   PRO  98           HA       PRO  98 -21.015 -24.865   2.285
 1088    HB2  PRO  98           HB2      PRO  98 -20.874 -23.211  -0.191
 1089    HB3  PRO  98           HB3      PRO  98 -22.197 -23.391   0.968
 1090    HG2  PRO  98           HG2      PRO  98 -20.714 -21.186   0.946
 1091    HG3  PRO  98           HG3      PRO  98 -21.253 -21.900   2.477
 1092    HD2  PRO  98           HD2      PRO  98 -18.563 -21.997   1.179
 1093    HD3  PRO  98           HD3      PRO  98 -18.984 -21.861   2.899
 1094    H    ARG  99           H        ARG  99 -20.897 -26.903   1.596
 1095    HA   ARG  99           HA       ARG  99 -19.280 -27.497  -0.783
 1096    HB2  ARG  99           HB2      ARG  99 -20.264 -29.344   1.398
 1097    HB3  ARG  99           HB3      ARG  99 -19.248 -29.813   0.043
 1098    HG2  ARG  99           HG2      ARG  99 -17.450 -28.425   0.866
 1099    HG3  ARG  99           HG3      ARG  99 -18.473 -27.841   2.182
 1100    HD2  ARG  99           HD2      ARG  99 -18.664 -30.134   3.034
 1101    HD3  ARG  99           HD3      ARG  99 -17.616 -30.697   1.734
 1102    HE   ARG  99           HE       ARG  99 -16.164 -28.753   3.004
 1103   HH11  ARG  99          HH12      ARG  99 -17.746 -31.719   3.987
 1104   HH12  ARG  99          HH11      ARG  99 -16.613 -32.066   5.257
 1105   HH21  ARG  99          HH22      ARG  99 -14.646 -29.209   4.668
 1106   HH22  ARG  99          HH21      ARG  99 -14.848 -30.638   5.647
 1107    H    LYS 100           H        LYS 100 -20.067 -29.326  -2.126
 1108    HA   LYS 100           HA       LYS 100 -22.948 -29.177  -2.547
 1109    HB2  LYS 100           HB2      LYS 100 -20.767 -30.578  -4.105
 1110    HB3  LYS 100           HB3      LYS 100 -22.467 -30.582  -4.549
 1111    HG2  LYS 100           HG2      LYS 100 -22.380 -28.123  -4.767
 1112    HG3  LYS 100           HG3      LYS 100 -20.649 -28.186  -4.420
 1113    HD2  LYS 100           HD2      LYS 100 -21.079 -28.068  -6.829
 1114    HD3  LYS 100           HD3      LYS 100 -20.291 -29.585  -6.385
 1115    HE2  LYS 100           HE2      LYS 100 -22.040 -30.059  -7.961
 1116    HE3  LYS 100           HE3      LYS 100 -22.517 -30.680  -6.381
 1117    HZ1  LYS 100           HZ1      LYS 100 -23.472 -28.191  -7.685
 1118    HZ2  LYS 100           HZ2      LYS 100 -23.838 -28.621  -6.086
 1119    HZ3  LYS 100           HZ3      LYS 100 -24.380 -29.589  -7.366
 1120    H    LYS 101           H        LYS 101 -24.115 -30.455  -1.255
 1121    HA   LYS 101           HA       LYS 101 -23.152 -33.203  -0.823
 1122    HB2  LYS 101           HB2      LYS 101 -23.130 -31.726   1.227
 1123    HB3  LYS 101           HB3      LYS 101 -24.880 -31.627   1.093
 1124    HG2  LYS 101           HG2      LYS 101 -24.200 -33.294   2.735
 1125    HG3  LYS 101           HG3      LYS 101 -25.053 -34.040   1.379
 1126    HD2  LYS 101           HD2      LYS 101 -22.935 -34.714   0.393
 1127    HD3  LYS 101           HD3      LYS 101 -22.055 -33.921   1.700
 1128    HE2  LYS 101           HE2      LYS 101 -23.023 -35.455   3.312
 1129    HE3  LYS 101           HE3      LYS 101 -23.978 -36.217   2.040
 1130    HZ1  LYS 101           HZ1      LYS 101 -21.961 -36.950   0.974
 1131    HZ2  LYS 101           HZ2      LYS 101 -21.965 -37.483   2.582
 1132    HZ3  LYS 101           HZ3      LYS 101 -21.010 -36.158   2.127
 1133    H    MET   1           H1       MET   1  -3.233   0.366 -21.807
 1134    HA   MET   1           HA       MET   1  -2.210   1.559 -19.298
 1135    HB2  MET   1           HB2      MET   1  -4.713   2.094 -20.917
 1136    HB3  MET   1           HB3      MET   1  -4.426   2.720 -19.299
 1137    HG2  MET   1           HG2      MET   1  -2.541   4.001 -20.078
 1138    HG3  MET   1           HG3      MET   1  -2.688   3.295 -21.687
 1139    HE1  MET   1           HE1      MET   1  -4.722   3.766 -23.328
 1140    HE2  MET   1           HE2      MET   1  -5.844   3.243 -22.073
 1141    HE3  MET   1           HE3      MET   1  -6.104   4.776 -22.906
 1142    H    ALA   2           H        ALA   2  -2.702   0.446 -17.536
 1143    HA   ALA   2           HA       ALA   2  -4.547  -1.831 -17.806
 1144    HB1  ALA   2           HB1      ALA   2  -2.254  -2.351 -17.107
 1145    HB2  ALA   2           HB2      ALA   2  -2.429  -1.265 -15.729
 1146    HB3  ALA   2           HB3      ALA   2  -3.413  -2.725 -15.831
 1147    H    CYS   3           H        CYS   3  -5.779  -2.316 -15.715
 1148    HA   CYS   3           HA       CYS   3  -7.208  -0.012 -14.828
 1149    HB2  CYS   3           HB2      CYS   3  -7.194  -2.824 -13.697
 1150    HB3  CYS   3           HB3      CYS   3  -8.391  -1.576 -13.357
 1151    HG   CYS   3           HG       CYS   3  -8.988  -3.816 -15.315
 1152    HA   PRO   4           HA       PRO   4  -3.692   1.273 -12.498
 1153    HB2  PRO   4           HB2      PRO   4  -5.823   2.958 -11.265
 1154    HB3  PRO   4           HB3      PRO   4  -4.224   3.437 -11.851
 1155    HG2  PRO   4           HG2      PRO   4  -6.311   3.969 -13.339
 1156    HG3  PRO   4           HG3      PRO   4  -4.883   3.237 -14.109
 1157    HD2  PRO   4           HD2      PRO   4  -7.458   1.944 -13.284
 1158    HD3  PRO   4           HD3      PRO   4  -6.508   1.718 -14.768
 1159    H    LEU   5           H        LEU   5  -6.623   1.367 -10.461
 1160    HA   LEU   5           HA       LEU   5  -5.105   0.735  -8.128
 1161    HB2  LEU   5           HB2      LEU   5  -7.553   1.903  -8.638
 1162    HB3  LEU   5           HB3      LEU   5  -7.996   0.359  -7.937
 1163    HG   LEU   5           HG       LEU   5  -7.888   2.168  -6.269
 1164   HD11  LEU   5          HD11      LEU   5  -6.512   0.990  -4.641
 1165   HD12  LEU   5          HD12      LEU   5  -7.536  -0.110  -5.567
 1166   HD13  LEU   5          HD13      LEU   5  -5.816   0.017  -5.941
 1167   HD21  LEU   5          HD21      LEU   5  -6.097   3.489  -7.258
 1168   HD22  LEU   5          HD22      LEU   5  -5.734   3.062  -5.584
 1169   HD23  LEU   5          HD23      LEU   5  -4.944   2.200  -6.906
 1170    H    GLU   6           H        GLU   6  -6.956  -1.083 -10.439
 1171    HA   GLU   6           HA       GLU   6  -7.348  -3.436  -8.941
 1172    HB2  GLU   6           HB2      GLU   6  -8.455  -2.797 -11.131
 1173    HB3  GLU   6           HB3      GLU   6  -6.964  -3.260 -11.933
 1174    HG2  GLU   6           HG2      GLU   6  -8.457  -5.176 -10.178
 1175    HG3  GLU   6           HG3      GLU   6  -8.891  -4.940 -11.868
 1176    H    LYS   7           H        LYS   7  -4.795  -2.448 -11.197
 1177    HA   LYS   7           HA       LYS   7  -3.248  -4.787 -10.942
 1178    HB2  LYS   7           HB2      LYS   7  -2.579  -1.984 -11.838
 1179    HB3  LYS   7           HB3      LYS   7  -1.374  -3.270 -11.805
 1180    HG2  LYS   7           HG2      LYS   7  -3.943  -3.744 -13.234
 1181    HG3  LYS   7           HG3      LYS   7  -2.727  -2.710 -13.982
 1182    HD2  LYS   7           HD2      LYS   7  -2.391  -4.931 -14.786
 1183    HD3  LYS   7           HD3      LYS   7  -1.075  -4.557 -13.675
 1184    HE2  LYS   7           HE2      LYS   7  -1.789  -6.779 -13.218
 1185    HE3  LYS   7           HE3      LYS   7  -2.352  -5.762 -11.895
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.555  -5.769 -12.805
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.022  -7.375 -12.707
 1188    HZ3  LYS   7           HZ3      LYS   7  -4.035  -6.582 -14.200
 1189    H    ALA   8           H        ALA   8  -3.324  -1.782  -9.117
 1190    HA   ALA   8           HA       ALA   8  -0.966  -1.818  -7.751
 1191    HB1  ALA   8           HB1      ALA   8  -2.102  -0.647  -5.931
 1192    HB2  ALA   8           HB2      ALA   8  -2.601  -0.044  -7.511
 1193    HB3  ALA   8           HB3      ALA   8  -3.661  -1.120  -6.603
 1194    H    LEU   9           H        LEU   9  -3.933  -3.498  -6.606
 1195    HA   LEU   9           HA       LEU   9  -2.503  -4.718  -4.438
 1196    HB2  LEU   9           HB2      LEU   9  -5.221  -5.437  -5.545
 1197    HB3  LEU   9           HB3      LEU   9  -4.549  -6.017  -4.042
 1198    HG   LEU   9           HG       LEU   9  -6.030  -4.366  -3.368
 1199   HD11  LEU   9          HD11      LEU   9  -3.892  -4.061  -2.311
 1200   HD12  LEU   9          HD12      LEU   9  -3.368  -3.001  -3.621
 1201   HD13  LEU   9          HD13      LEU   9  -4.685  -2.502  -2.559
 1202   HD21  LEU   9          HD21      LEU   9  -6.219  -2.155  -4.377
 1203   HD22  LEU   9          HD22      LEU   9  -5.000  -2.597  -5.571
 1204   HD23  LEU   9          HD23      LEU   9  -6.551  -3.434  -5.546
 1205    H    ASP  10           H        ASP  10  -3.584  -5.723  -7.611
 1206    HA   ASP  10           HA       ASP  10  -3.097  -8.470  -7.457
 1207    HB2  ASP  10           HB2      ASP  10  -4.325  -7.420  -9.295
 1208    HB3  ASP  10           HB3      ASP  10  -2.870  -6.587  -9.823
 1209    H    VAL  11           H        VAL  11  -0.949  -5.827  -8.432
 1210    HA   VAL  11           HA       VAL  11   1.202  -7.594  -9.092
 1211    HB   VAL  11           HB       VAL  11   2.517  -5.639  -9.509
 1212   HG11  VAL  11          HG11      VAL  11   0.824  -6.228 -11.167
 1213   HG12  VAL  11          HG12      VAL  11  -0.338  -5.172 -10.362
 1214   HG13  VAL  11          HG13      VAL  11   1.097  -4.487 -11.121
 1215   HG21  VAL  11          HG21      VAL  11   1.951  -4.347  -7.521
 1216   HG22  VAL  11          HG22      VAL  11   1.732  -3.380  -8.980
 1217   HG23  VAL  11          HG23      VAL  11   0.329  -4.062  -8.155
 1218    H    MET  12           H        MET  12   0.132  -6.070  -6.186
 1219    HA   MET  12           HA       MET  12   2.510  -5.978  -4.708
 1220    HB2  MET  12           HB2      MET  12  -0.369  -6.370  -3.981
 1221    HB3  MET  12           HB3      MET  12   0.882  -6.488  -2.750
 1222    HG2  MET  12           HG2      MET  12   1.529  -4.256  -3.027
 1223    HG3  MET  12           HG3      MET  12   0.684  -4.115  -4.569
 1224    HE1  MET  12           HE1      MET  12   0.021  -1.715  -3.166
 1225    HE2  MET  12           HE2      MET  12  -1.056  -1.757  -1.757
 1226    HE3  MET  12           HE3      MET  12   0.604  -2.342  -1.619
 1227    H    VAL  13           H        VAL  13   0.087  -8.617  -4.779
 1228    HA   VAL  13           HA       VAL  13   1.906 -10.406  -3.453
 1229    HB   VAL  13           HB       VAL  13   0.175 -12.134  -3.828
 1230   HG11  VAL  13          HG11      VAL  13   0.146 -10.686  -1.859
 1231   HG12  VAL  13          HG12      VAL  13  -0.890  -9.549  -2.718
 1232   HG13  VAL  13          HG13      VAL  13  -1.479 -11.170  -2.347
 1233   HG21  VAL  13          HG21      VAL  13  -2.004 -11.472  -4.736
 1234   HG22  VAL  13          HG22      VAL  13  -1.319  -9.916  -5.204
 1235   HG23  VAL  13          HG23      VAL  13  -0.723 -11.401  -5.946
 1236    H    SER  14           H        SER  14   1.270  -9.563  -6.725
 1237    HA   SER  14           HA       SER  14   2.191 -11.994  -7.919
 1238    HB2  SER  14           HB2      SER  14   0.689 -10.410  -9.096
 1239    HB3  SER  14           HB3      SER  14   1.986  -9.218  -9.118
 1240    HG   SER  14           HG       SER  14   1.560 -10.822 -10.996
 1241    H    THR  15           H        THR  15   3.629  -8.751  -7.558
 1242    HA   THR  15           HA       THR  15   6.172  -9.428  -8.554
 1243    HB   THR  15           HB       THR  15   5.585  -7.237  -6.550
 1244    HG1  THR  15           HG1      THR  15   4.158  -6.771  -8.110
 1245   HG21  THR  15          HG21      THR  15   7.608  -7.450  -8.785
 1246   HG22  THR  15          HG22      THR  15   7.956  -7.567  -7.061
 1247   HG23  THR  15          HG23      THR  15   7.376  -6.046  -7.743
 1248    H    PHE  16           H        PHE  16   4.679  -9.794  -5.426
 1249    HA   PHE  16           HA       PHE  16   6.777 -10.436  -3.763
 1250    HB2  PHE  16           HB2      PHE  16   3.961 -11.137  -3.972
 1251    HB3  PHE  16           HB3      PHE  16   4.908 -12.473  -3.334
 1252    HD1  PHE  16           HD1      PHE  16   6.464 -11.936  -1.355
 1253    HD2  PHE  16           HD2      PHE  16   3.234  -9.464  -2.580
 1254    HE1  PHE  16           HE1      PHE  16   6.389 -10.929   0.886
 1255    HE2  PHE  16           HE2      PHE  16   3.157  -8.452  -0.347
 1256    HZ   PHE  16           HZ       PHE  16   4.734  -9.186   1.391
 1257    H    HIS  17           H        HIS  17   4.921 -12.912  -5.498
 1258    HA   HIS  17           HA       HIS  17   6.756 -14.988  -5.282
 1259    HB2  HIS  17           HB2      HIS  17   4.632 -14.440  -7.363
 1260    HB3  HIS  17           HB3      HIS  17   5.569 -15.929  -7.331
 1261    HD1  HIS  17           HD1      HIS  17   4.500 -17.781  -6.104
 1262    HD2  HIS  17           HD2      HIS  17   3.179 -14.069  -4.763
 1263    HE1  HIS  17           HE1      HIS  17   2.727 -18.268  -4.390
 1264    HE2  HIS  17           HE2      HIS  17   2.071 -16.016  -3.459
 1265    H    LYS  18           H        LYS  18   6.583 -12.361  -7.524
 1266    HA   LYS  18           HA       LYS  18   8.159 -13.370  -9.612
 1267    HB2  LYS  18           HB2      LYS  18   6.613 -11.403  -9.667
 1268    HB3  LYS  18           HB3      LYS  18   7.813 -10.493  -8.766
 1269    HG2  LYS  18           HG2      LYS  18   9.390 -10.749 -10.624
 1270    HG3  LYS  18           HG3      LYS  18   8.166 -11.648 -11.524
 1271    HD2  LYS  18           HD2      LYS  18   6.691  -9.700 -11.442
 1272    HD3  LYS  18           HD3      LYS  18   7.920  -8.810 -10.540
 1273    HE2  LYS  18           HE2      LYS  18   8.069  -8.146 -12.812
 1274    HE3  LYS  18           HE3      LYS  18   9.467  -9.149 -12.462
 1275    HZ1  LYS  18           HZ1      LYS  18   8.471 -10.978 -13.584
 1276    HZ2  LYS  18           HZ2      LYS  18   8.370  -9.636 -14.615
 1277    HZ3  LYS  18           HZ3      LYS  18   6.999 -10.158 -13.768
 1278    H    TYR  19           H        TYR  19   9.061 -11.683  -6.618
 1279    HA   TYR  19           HA       TYR  19  11.894 -11.968  -7.437
 1280    HB2  TYR  19           HB2      TYR  19  10.588  -9.740  -5.876
 1281    HB3  TYR  19           HB3      TYR  19  12.331  -9.976  -5.932
 1282    HD1  TYR  19           HD2      TYR  19  13.573  -9.588  -7.998
 1283    HD2  TYR  19           HD1      TYR  19   9.379  -8.925  -7.798
 1284    HE1  TYR  19           HE2      TYR  19  13.678  -8.327 -10.107
 1285    HE2  TYR  19           HE1      TYR  19   9.471  -7.663  -9.902
 1286    HH   TYR  19           HH       TYR  19  11.004  -6.468 -11.274
 1287    H    SER  20           H        SER  20   9.763 -11.880  -4.548
 1288    HA   SER  20           HA       SER  20  11.845 -12.522  -2.752
 1289    HB2  SER  20           HB2      SER  20  10.065 -13.045  -1.136
 1290    HB3  SER  20           HB3      SER  20   9.750 -11.530  -1.974
 1291    HG   SER  20           HG       SER  20   8.379 -12.814  -3.398
 1292    H    GLY  21           H        GLY  21   9.840 -14.472  -4.796
 1293    HA2  GLY  21           HA2      GLY  21  10.432 -16.958  -3.475
 1294    HA3  GLY  21           HA3      GLY  21   9.633 -16.762  -5.029
 1295    H    LYS  22           H        LYS  22  12.511 -15.024  -4.860
 1296    HA   LYS  22           HA       LYS  22  13.767 -16.850  -6.715
 1297    HB2  LYS  22           HB2      LYS  22  13.807 -14.436  -7.147
 1298    HB3  LYS  22           HB3      LYS  22  14.678 -14.173  -5.643
 1299    HG2  LYS  22           HG2      LYS  22  16.580 -15.380  -6.491
 1300    HG3  LYS  22           HG3      LYS  22  15.711 -15.767  -7.975
 1301    HD2  LYS  22           HD2      LYS  22  15.550 -13.366  -8.484
 1302    HD3  LYS  22           HD3      LYS  22  16.459 -13.008  -7.013
 1303    HE2  LYS  22           HE2      LYS  22  18.376 -14.205  -7.854
 1304    HE3  LYS  22           HE3      LYS  22  17.472 -14.707  -9.283
 1305    HZ1  LYS  22           HZ1      LYS  22  17.965 -11.859  -8.618
 1306    HZ2  LYS  22           HZ2      LYS  22  17.436 -12.513 -10.093
 1307    HZ3  LYS  22           HZ3      LYS  22  19.027 -12.775  -9.571
 1308    H    GLU  23           H        GLU  23  14.865 -15.192  -3.734
 1309    HA   GLU  23           HA       GLU  23  16.686 -17.469  -3.309
 1310    HB2  GLU  23           HB2      GLU  23  16.774 -14.636  -2.291
 1311    HB3  GLU  23           HB3      GLU  23  17.815 -15.906  -1.662
 1312    HG2  GLU  23           HG2      GLU  23  18.706 -16.260  -3.933
 1313    HG3  GLU  23           HG3      GLU  23  17.712 -14.920  -4.503
 1314    H    GLY  24           H        GLY  24  13.980 -15.785  -1.916
 1315    HA2  GLY  24           HA2      GLY  24  14.201 -17.512   0.471
 1316    HA3  GLY  24           HA3      GLY  24  13.413 -15.941   0.463
 1317    H    ASP  25           H        ASP  25  11.388 -16.506   1.045
 1318    HA   ASP  25           HA       ASP  25   9.998 -18.538  -0.551
 1319    HB2  ASP  25           HB2      ASP  25   9.931 -18.307   2.101
 1320    HB3  ASP  25           HB3      ASP  25   8.670 -17.134   1.729
 1321    H    LYS  26           H        LYS  26   7.567 -17.825  -0.954
 1322    HA   LYS  26           HA       LYS  26   8.002 -15.632  -2.797
 1323    HB2  LYS  26           HB2      LYS  26   5.586 -17.410  -2.427
 1324    HB3  LYS  26           HB3      LYS  26   5.769 -16.219  -3.695
 1325    HG2  LYS  26           HG2      LYS  26   6.270 -18.244  -4.731
 1326    HG3  LYS  26           HG3      LYS  26   7.840 -17.520  -4.409
 1327    HD2  LYS  26           HD2      LYS  26   7.950 -19.848  -3.866
 1328    HD3  LYS  26           HD3      LYS  26   8.005 -18.934  -2.363
 1329    HE2  LYS  26           HE2      LYS  26   5.412 -19.315  -2.389
 1330    HE3  LYS  26           HE3      LYS  26   5.815 -20.627  -3.487
 1331    HZ1  LYS  26           HZ1      LYS  26   6.801 -20.272  -0.708
 1332    HZ2  LYS  26           HZ2      LYS  26   7.333 -21.486  -1.764
 1333    HZ3  LYS  26           HZ3      LYS  26   5.717 -21.455  -1.260
 1334    H    PHE  27           H        PHE  27   7.184 -15.673   0.317
 1335    HA   PHE  27           HA       PHE  27   5.667 -13.169   0.055
 1336    HB2  PHE  27           HB2      PHE  27   4.447 -13.713   2.137
 1337    HB3  PHE  27           HB3      PHE  27   4.102 -14.864   0.854
 1338    HD1  PHE  27           HD1      PHE  27   6.045 -14.374   3.973
 1339    HD2  PHE  27           HD2      PHE  27   4.487 -17.158   1.157
 1340    HE1  PHE  27           HE1      PHE  27   6.619 -16.224   5.488
 1341    HE2  PHE  27           HE2      PHE  27   5.060 -19.012   2.667
 1342    HZ   PHE  27           HZ       PHE  27   6.127 -18.548   4.837
 1343    H    LYS  28           H        LYS  28   8.559 -14.194   0.596
 1344    HA   LYS  28           HA       LYS  28   9.028 -12.489   2.950
 1345    HB2  LYS  28           HB2      LYS  28   9.132 -14.920   3.542
 1346    HB3  LYS  28           HB3      LYS  28  10.441 -15.097   2.383
 1347    HG2  LYS  28           HG2      LYS  28  11.537 -14.906   4.405
 1348    HG3  LYS  28           HG3      LYS  28  11.625 -13.277   3.736
 1349    HD2  LYS  28           HD2      LYS  28  11.025 -13.026   6.012
 1350    HD3  LYS  28           HD3      LYS  28   9.551 -12.749   5.078
 1351    HE2  LYS  28           HE2      LYS  28   8.719 -14.917   5.592
 1352    HE3  LYS  28           HE3      LYS  28  10.264 -15.417   6.279
 1353    HZ1  LYS  28           HZ1      LYS  28   9.924 -13.657   7.992
 1354    HZ2  LYS  28           HZ2      LYS  28   8.820 -14.937   8.071
 1355    HZ3  LYS  28           HZ3      LYS  28   8.342 -13.452   7.408
 1356    H    LEU  29           H        LEU  29  10.361 -10.874   2.417
 1357    HA   LEU  29           HA       LEU  29  12.244 -11.342   0.195
 1358    HB2  LEU  29           HB2      LEU  29  10.887  -8.780   1.006
 1359    HB3  LEU  29           HB3      LEU  29  12.119  -8.901  -0.233
 1360    HG   LEU  29           HG       LEU  29  10.410 -10.649  -1.254
 1361   HD11  LEU  29          HD11      LEU  29   8.105  -9.887  -0.910
 1362   HD12  LEU  29          HD12      LEU  29   8.820 -10.553   0.559
 1363   HD13  LEU  29          HD13      LEU  29   8.669  -8.807   0.363
 1364   HD21  LEU  29          HD21      LEU  29   9.495  -8.838  -2.613
 1365   HD22  LEU  29          HD22      LEU  29  10.107  -7.662  -1.453
 1366   HD23  LEU  29          HD23      LEU  29  11.234  -8.659  -2.372
 1367    H    ASN  30           H        ASN  30  14.227 -11.608   1.008
 1368    HA   ASN  30           HA       ASN  30  15.151 -10.034   3.254
 1369    HB2  ASN  30           HB2      ASN  30  17.251 -11.171   3.003
 1370    HB3  ASN  30           HB3      ASN  30  15.986 -12.372   2.759
 1371   HD21  ASN  30          HD21      ASN  30  15.623 -13.187   0.701
 1372   HD22  ASN  30          HD22      ASN  30  16.753 -12.958  -0.596
 1373    H    LYS  31           H        LYS  31  17.644  -9.163   2.539
 1374    HA   LYS  31           HA       LYS  31  17.104  -6.689   1.426
 1375    HB2  LYS  31           HB2      LYS  31  19.729  -8.175   1.601
 1376    HB3  LYS  31           HB3      LYS  31  19.594  -6.485   1.136
 1377    HG2  LYS  31           HG2      LYS  31  18.594  -5.971   3.306
 1378    HG3  LYS  31           HG3      LYS  31  18.743  -7.666   3.770
 1379    HD2  LYS  31           HD2      LYS  31  21.163  -7.527   3.581
 1380    HD3  LYS  31           HD3      LYS  31  21.041  -5.852   3.037
 1381    HE2  LYS  31           HE2      LYS  31  20.084  -5.202   5.168
 1382    HE3  LYS  31           HE3      LYS  31  20.104  -6.877   5.714
 1383    HZ1  LYS  31           HZ1      LYS  31  22.513  -6.861   5.576
 1384    HZ2  LYS  31           HZ2      LYS  31  21.964  -5.631   6.608
 1385    HZ3  LYS  31           HZ3      LYS  31  22.501  -5.250   5.040
 1386    H    SER  32           H        SER  32  18.354  -9.596  -0.156
 1387    HA   SER  32           HA       SER  32  19.062  -8.402  -2.605
 1388    HB2  SER  32           HB2      SER  32  19.886 -10.605  -1.822
 1389    HB3  SER  32           HB3      SER  32  18.274 -11.275  -2.057
 1390    HG   SER  32           HG       SER  32  19.156 -11.754  -3.934
 1391    H    GLU  33           H        GLU  33  16.072  -9.995  -1.544
 1392    HA   GLU  33           HA       GLU  33  14.878 -10.113  -4.098
 1393    HB2  GLU  33           HB2      GLU  33  13.227  -9.877  -1.610
 1394    HB3  GLU  33           HB3      GLU  33  12.928 -10.843  -3.044
 1395    HG2  GLU  33           HG2      GLU  33  14.906 -11.391  -0.852
 1396    HG3  GLU  33           HG3      GLU  33  13.437 -12.282  -1.219
 1397    H    LEU  34           H        LEU  34  14.459  -7.846  -1.384
 1398    HA   LEU  34           HA       LEU  34  12.609  -6.148  -2.654
 1399    HB2  LEU  34           HB2      LEU  34  14.576  -5.750  -0.428
 1400    HB3  LEU  34           HB3      LEU  34  13.602  -4.420  -1.022
 1401    HG   LEU  34           HG       LEU  34  12.456  -6.983   0.075
 1402   HD11  LEU  34          HD11      LEU  34  11.919  -5.621   2.047
 1403   HD12  LEU  34          HD12      LEU  34  13.658  -5.788   1.805
 1404   HD13  LEU  34          HD13      LEU  34  12.846  -4.285   1.361
 1405   HD21  LEU  34          HD21      LEU  34  10.380  -5.697   0.131
 1406   HD22  LEU  34          HD22      LEU  34  11.209  -4.317  -0.595
 1407   HD23  LEU  34          HD23      LEU  34  11.013  -5.811  -1.511
 1408    H    LYS  35           H        LYS  35  16.115  -6.116  -2.520
 1409    HA   LYS  35           HA       LYS  35  16.665  -3.695  -3.702
 1410    HB2  LYS  35           HB2      LYS  35  18.282  -5.359  -2.706
 1411    HB3  LYS  35           HB3      LYS  35  18.190  -6.243  -4.222
 1412    HG2  LYS  35           HG2      LYS  35  19.102  -4.362  -5.420
 1413    HG3  LYS  35           HG3      LYS  35  19.099  -3.390  -3.944
 1414    HD2  LYS  35           HD2      LYS  35  20.678  -4.893  -2.913
 1415    HD3  LYS  35           HD3      LYS  35  20.650  -5.946  -4.329
 1416    HE2  LYS  35           HE2      LYS  35  22.594  -4.659  -4.562
 1417    HE3  LYS  35           HE3      LYS  35  21.417  -3.905  -5.636
 1418    HZ1  LYS  35           HZ1      LYS  35  21.908  -2.969  -2.868
 1419    HZ2  LYS  35           HZ2      LYS  35  21.056  -2.170  -4.099
 1420    HZ3  LYS  35           HZ3      LYS  35  22.736  -2.350  -4.212
 1421    H    GLU  36           H        GLU  36  16.359  -6.848  -5.369
 1422    HA   GLU  36           HA       GLU  36  16.482  -5.737  -7.955
 1423    HB2  GLU  36           HB2      GLU  36  15.676  -8.350  -6.823
 1424    HB3  GLU  36           HB3      GLU  36  15.093  -7.946  -8.431
 1425    HG2  GLU  36           HG2      GLU  36  17.366  -7.576  -9.185
 1426    HG3  GLU  36           HG3      GLU  36  17.971  -7.966  -7.578
 1427    H    LEU  37           H        LEU  37  13.738  -6.514  -5.869
 1428    HA   LEU  37           HA       LEU  37  11.662  -6.058  -7.657
 1429    HB2  LEU  37           HB2      LEU  37  11.636  -6.914  -5.229
 1430    HB3  LEU  37           HB3      LEU  37  11.581  -5.218  -4.779
 1431    HG   LEU  37           HG       LEU  37   9.526  -6.096  -6.712
 1432   HD11  LEU  37          HD11      LEU  37   8.125  -7.042  -4.922
 1433   HD12  LEU  37          HD12      LEU  37   9.560  -8.016  -5.231
 1434   HD13  LEU  37          HD13      LEU  37   9.499  -6.960  -3.819
 1435   HD21  LEU  37          HD21      LEU  37   8.143  -4.625  -5.342
 1436   HD22  LEU  37          HD22      LEU  37   9.468  -4.437  -4.193
 1437   HD23  LEU  37          HD23      LEU  37   9.630  -3.814  -5.835
 1438    H    LEU  38           H        LEU  38  13.181  -3.746  -5.420
 1439    HA   LEU  38           HA       LEU  38  11.699  -1.517  -6.355
 1440    HB2  LEU  38           HB2      LEU  38  14.121  -1.840  -4.626
 1441    HB3  LEU  38           HB3      LEU  38  13.624  -0.242  -5.156
 1442    HG   LEU  38           HG       LEU  38  11.359  -1.633  -4.058
 1443   HD11  LEU  38          HD11      LEU  38  12.957  -2.952  -2.801
 1444   HD12  LEU  38          HD12      LEU  38  13.794  -1.486  -2.287
 1445   HD13  LEU  38          HD13      LEU  38  12.149  -1.800  -1.734
 1446   HD21  LEU  38          HD21      LEU  38  12.926   0.766  -3.107
 1447   HD22  LEU  38          HD22      LEU  38  11.591   0.797  -4.260
 1448   HD23  LEU  38          HD23      LEU  38  11.301   0.318  -2.588
 1449    H    THR  39           H        THR  39  14.917  -2.774  -7.192
 1450    HA   THR  39           HA       THR  39  15.742  -0.504  -8.661
 1451    HB   THR  39           HB       THR  39  17.363  -2.070  -9.785
 1452    HG1  THR  39           HG1      THR  39  16.380  -3.999  -7.947
 1453   HG21  THR  39          HG21      THR  39  18.654  -2.505  -7.770
 1454   HG22  THR  39          HG22      THR  39  17.221  -2.222  -6.785
 1455   HG23  THR  39          HG23      THR  39  17.928  -0.898  -7.717
 1456    H    ARG  40           H        ARG  40  13.743  -3.217  -9.493
 1457    HA   ARG  40           HA       ARG  40  13.978  -2.693 -12.339
 1458    HB2  ARG  40           HB2      ARG  40  12.460  -4.784 -10.790
 1459    HB3  ARG  40           HB3      ARG  40  12.510  -4.694 -12.548
 1460    HG2  ARG  40           HG2      ARG  40  14.873  -5.119 -10.727
 1461    HG3  ARG  40           HG3      ARG  40  14.054  -6.367 -11.667
 1462    HD2  ARG  40           HD2      ARG  40  15.396  -3.943 -12.851
 1463    HD3  ARG  40           HD3      ARG  40  16.157  -5.527 -12.694
 1464    HE   ARG  40           HE       ARG  40  14.088  -6.260 -14.079
 1465   HH11  ARG  40          HH12      ARG  40  15.834  -3.233 -14.431
 1466   HH12  ARG  40          HH11      ARG  40  15.499  -3.107 -16.135
 1467   HH21  ARG  40          HH22      ARG  40  13.662  -6.085 -16.323
 1468   HH22  ARG  40          HH21      ARG  40  14.295  -4.723 -17.208
 1469    H    GLU  41           H        GLU  41  11.243  -3.001 -10.022
 1470    HA   GLU  41           HA       GLU  41   9.629  -1.578 -11.992
 1471    HB2  GLU  41           HB2      GLU  41   8.998  -3.564  -9.893
 1472    HB3  GLU  41           HB3      GLU  41   7.782  -2.326 -10.198
 1473    HG2  GLU  41           HG2      GLU  41   7.060  -3.611 -11.859
 1474    HG3  GLU  41           HG3      GLU  41   8.516  -3.130 -12.724
 1475    H    LEU  42           H        LEU  42  11.232  -0.844  -9.081
 1476    HA   LEU  42           HA       LEU  42   9.493   1.544  -8.871
 1477    HB2  LEU  42           HB2      LEU  42  11.047   0.261  -6.621
 1478    HB3  LEU  42           HB3      LEU  42  10.064   1.704  -6.497
 1479    HG   LEU  42           HG       LEU  42   8.100   0.195  -7.205
 1480   HD11  LEU  42          HD11      LEU  42   9.414  -1.700  -7.944
 1481   HD12  LEU  42          HD12      LEU  42  10.083  -1.886  -6.320
 1482   HD13  LEU  42          HD13      LEU  42   8.361  -2.154  -6.601
 1483   HD21  LEU  42          HD21      LEU  42   9.447  -0.165  -4.533
 1484   HD22  LEU  42          HD22      LEU  42   8.347   1.140  -4.981
 1485   HD23  LEU  42          HD23      LEU  42   7.754  -0.520  -4.889
 1486    HA   PRO  43           HA       PRO  43  14.144   2.405  -9.498
 1487    HB2  PRO  43           HB2      PRO  43  14.169   3.438 -11.994
 1488    HB3  PRO  43           HB3      PRO  43  14.333   1.710 -11.676
 1489    HG2  PRO  43           HG2      PRO  43  11.940   3.255 -12.571
 1490    HG3  PRO  43           HG3      PRO  43  12.492   1.648 -13.075
 1491    HD2  PRO  43           HD2      PRO  43  10.477   2.068 -11.272
 1492    HD3  PRO  43           HD3      PRO  43  11.489   0.611 -11.288
 1493    H    SER  44           H        SER  44  11.261   4.200 -10.196
 1494    HA   SER  44           HA       SER  44  12.454   6.794 -10.074
 1495    HB2  SER  44           HB2      SER  44   9.552   6.060  -9.631
 1496    HB3  SER  44           HB3      SER  44  10.193   7.628 -10.122
 1497    HG   SER  44           HG       SER  44   9.338   6.425 -11.883
 1498    H    PHE  45           H        PHE  45  10.879   4.627  -7.791
 1499    HA   PHE  45           HA       PHE  45  10.699   6.673  -5.750
 1500    HB2  PHE  45           HB2      PHE  45  10.077   3.757  -5.332
 1501    HB3  PHE  45           HB3      PHE  45   9.377   5.163  -4.538
 1502    HD1  PHE  45           HD1      PHE  45   8.186   6.837  -6.338
 1503    HD2  PHE  45           HD2      PHE  45   8.736   2.637  -6.759
 1504    HE1  PHE  45           HE1      PHE  45   6.287   6.742  -7.899
 1505    HE2  PHE  45           HE2      PHE  45   6.849   2.539  -8.325
 1506    HZ   PHE  45           HZ       PHE  45   5.623   4.584  -8.897
 1507    H    LEU  46           H        LEU  46  13.406   5.670  -6.655
 1508    HA   LEU  46           HA       LEU  46  14.265   4.728  -4.012
 1509    HB2  LEU  46           HB2      LEU  46  16.017   4.881  -6.476
 1510    HB3  LEU  46           HB3      LEU  46  16.376   4.098  -4.954
 1511    HG   LEU  46           HG       LEU  46  14.493   3.201  -7.107
 1512   HD11  LEU  46          HD11      LEU  46  16.768   1.859  -5.662
 1513   HD12  LEU  46          HD12      LEU  46  15.776   1.129  -6.924
 1514   HD13  LEU  46          HD13      LEU  46  16.807   2.510  -7.300
 1515   HD21  LEU  46          HD21      LEU  46  14.509   2.359  -4.212
 1516   HD22  LEU  46          HD22      LEU  46  13.156   2.916  -5.193
 1517   HD23  LEU  46          HD23      LEU  46  13.874   1.340  -5.506
 1518    H    GLY  47           H        GLY  47  14.233   7.425  -6.102
 1519    HA2  GLY  47           HA2      GLY  47  14.805   9.616  -5.769
 1520    HA3  GLY  47           HA3      GLY  47  15.110   9.214  -4.091
 1521    H    LYS  48           H        LYS  48  17.152   7.266  -4.652
 1522    HA   LYS  48           HA       LYS  48  19.208   8.775  -6.094
 1523    HB2  LYS  48           HB2      LYS  48  19.412   9.298  -3.670
 1524    HB3  LYS  48           HB3      LYS  48  19.603   7.584  -3.336
 1525    HG2  LYS  48           HG2      LYS  48  21.754   8.606  -3.306
 1526    HG3  LYS  48           HG3      LYS  48  21.644   7.591  -4.744
 1527    HD2  LYS  48           HD2      LYS  48  22.686   9.609  -5.419
 1528    HD3  LYS  48           HD3      LYS  48  21.034   9.673  -6.029
 1529    HE2  LYS  48           HE2      LYS  48  21.805  10.926  -3.409
 1530    HE3  LYS  48           HE3      LYS  48  22.003  11.783  -4.935
 1531    HZ1  LYS  48           HZ1      LYS  48  19.456  10.773  -3.777
 1532    HZ2  LYS  48           HZ2      LYS  48  19.601  11.441  -5.329
 1533    HZ3  LYS  48           HZ3      LYS  48  19.925  12.391  -3.963
 1534    H    ARG  49           H        ARG  49  19.241   5.883  -4.041
 1535    HA   ARG  49           HA       ARG  49  18.998   3.880  -5.890
 1536    HB2  ARG  49           HB2      ARG  49  20.918   4.734  -7.111
 1537    HB3  ARG  49           HB3      ARG  49  21.886   4.757  -5.642
 1538    HG2  ARG  49           HG2      ARG  49  22.403   2.855  -7.128
 1539    HG3  ARG  49           HG3      ARG  49  21.863   2.359  -5.522
 1540    HD2  ARG  49           HD2      ARG  49  20.654   0.941  -6.891
 1541    HD3  ARG  49           HD3      ARG  49  19.515   2.264  -6.619
 1542    HE   ARG  49           HE       ARG  49  20.216   3.132  -8.836
 1543   HH11  ARG  49          HH12      ARG  49  20.751  -0.253  -8.061
 1544   HH12  ARG  49          HH11      ARG  49  20.628  -0.775  -9.717
 1545   HH21  ARG  49          HH22      ARG  49  20.054   2.432 -11.018
 1546   HH22  ARG  49          HH21      ARG  49  20.228   0.735 -11.385
 1547    H    THR  50           H        THR  50  18.893   1.999  -4.811
 1548    HA   THR  50           HA       THR  50  19.400   1.798  -2.058
 1549    HB   THR  50           HB       THR  50  19.052  -0.682  -2.475
 1550    HG1  THR  50           HG1      THR  50  17.993  -0.820  -4.747
 1551   HG21  THR  50          HG21      THR  50  17.219   0.787  -1.827
 1552   HG22  THR  50          HG22      THR  50  16.663  -0.401  -3.006
 1553   HG23  THR  50          HG23      THR  50  16.982   1.258  -3.510
 1554    H    ASP  51           H        ASP  51  21.449   2.093  -1.367
 1555    HA   ASP  51           HA       ASP  51  23.620   0.640  -2.701
 1556    HB2  ASP  51           HB2      ASP  51  23.689   3.189  -2.229
 1557    HB3  ASP  51           HB3      ASP  51  24.002   2.729  -0.561
 1558    H    GLU  52           H        GLU  52  25.458   0.433  -0.678
 1559    HA   GLU  52           HA       GLU  52  24.567  -2.023   0.452
 1560    HB2  GLU  52           HB2      GLU  52  27.090  -0.480   1.060
 1561    HB3  GLU  52           HB3      GLU  52  26.813  -2.193   1.339
 1562    HG2  GLU  52           HG2      GLU  52  26.742  -2.634  -1.005
 1563    HG3  GLU  52           HG3      GLU  52  26.777  -0.911  -1.378
 1564    H    ALA  53           H        ALA  53  25.950   0.823   2.107
 1565    HA   ALA  53           HA       ALA  53  25.152  -0.067   4.681
 1566    HB1  ALA  53           HB1      ALA  53  25.975   2.695   3.791
 1567    HB2  ALA  53           HB2      ALA  53  25.870   2.138   5.461
 1568    HB3  ALA  53           HB3      ALA  53  27.056   1.427   4.366
 1569    H    ALA  54           H        ALA  54  23.617   1.732   2.202
 1570    HA   ALA  54           HA       ALA  54  21.573   2.903   3.808
 1571    HB1  ALA  54           HB1      ALA  54  20.497   3.439   1.739
 1572    HB2  ALA  54           HB2      ALA  54  22.230   3.735   1.564
 1573    HB3  ALA  54           HB3      ALA  54  21.506   2.280   0.864
 1574    H    PHE  55           H        PHE  55  21.919  -0.105   1.999
 1575    HA   PHE  55           HA       PHE  55  19.147  -0.777   2.236
 1576    HB2  PHE  55           HB2      PHE  55  21.052  -1.592   0.525
 1577    HB3  PHE  55           HB3      PHE  55  21.079  -2.942   1.658
 1578    HD1  PHE  55           HD2      PHE  55  18.729  -3.923   2.279
 1579    HD2  PHE  55           HD1      PHE  55  19.541  -1.612  -1.198
 1580    HE1  PHE  55           HE2      PHE  55  16.715  -4.838   1.207
 1581    HE2  PHE  55           HE1      PHE  55  17.526  -2.519  -2.274
 1582    HZ   PHE  55           HZ       PHE  55  16.112  -4.136  -1.073
 1583    H    GLN  56           H        GLN  56  22.019  -1.469   4.139
 1584    HA   GLN  56           HA       GLN  56  20.861  -3.554   5.663
 1585    HB2  GLN  56           HB2      GLN  56  22.613  -3.185   7.288
 1586    HB3  GLN  56           HB3      GLN  56  23.287  -3.093   5.671
 1587    HG2  GLN  56           HG2      GLN  56  23.196  -0.623   5.834
 1588    HG3  GLN  56           HG3      GLN  56  22.670  -0.797   7.508
 1589   HE21  GLN  56          HE21      GLN  56  24.464   0.212   8.350
 1590   HE22  GLN  56          HE22      GLN  56  26.040  -0.511   8.340
 1591    H    LYS  57           H        LYS  57  20.627  -0.087   5.779
 1592    HA   LYS  57           HA       LYS  57  18.970  -0.016   8.124
 1593    HB2  LYS  57           HB2      LYS  57  19.298   1.968   5.858
 1594    HB3  LYS  57           HB3      LYS  57  18.426   2.278   7.352
 1595    HG2  LYS  57           HG2      LYS  57  20.403   2.230   8.632
 1596    HG3  LYS  57           HG3      LYS  57  21.332   1.538   7.300
 1597    HD2  LYS  57           HD2      LYS  57  21.021   3.595   6.013
 1598    HD3  LYS  57           HD3      LYS  57  20.096   4.299   7.345
 1599    HE2  LYS  57           HE2      LYS  57  22.451   5.047   7.290
 1600    HE3  LYS  57           HE3      LYS  57  22.041   4.206   8.784
 1601    HZ1  LYS  57           HZ1      LYS  57  24.196   3.522   7.882
 1602    HZ2  LYS  57           HZ2      LYS  57  23.441   2.990   6.463
 1603    HZ3  LYS  57           HZ3      LYS  57  23.104   2.229   7.941
 1604    H    LEU  58           H        LEU  58  18.468   0.158   4.627
 1605    HA   LEU  58           HA       LEU  58  15.753   0.599   4.540
 1606    HB2  LEU  58           HB2      LEU  58  17.202   0.695   2.572
 1607    HB3  LEU  58           HB3      LEU  58  17.385  -1.052   2.617
 1608    HG   LEU  58           HG       LEU  58  14.943  -1.285   2.263
 1609   HD11  LEU  58          HD11      LEU  58  14.416   0.952   3.229
 1610   HD12  LEU  58          HD12      LEU  58  14.988   1.670   1.718
 1611   HD13  LEU  58          HD13      LEU  58  13.601   0.581   1.714
 1612   HD21  LEU  58          HD21      LEU  58  16.519  -1.338   0.361
 1613   HD22  LEU  58          HD22      LEU  58  14.918  -0.723  -0.068
 1614   HD23  LEU  58          HD23      LEU  58  16.268   0.397   0.146
 1615    H    MET  59           H        MET  59  17.326  -2.563   4.225
 1616    HA   MET  59           HA       MET  59  15.163  -4.200   4.072
 1617    HB2  MET  59           HB2      MET  59  17.115  -5.356   3.886
 1618    HB3  MET  59           HB3      MET  59  17.893  -4.469   5.182
 1619    HG2  MET  59           HG2      MET  59  17.536  -6.898   5.604
 1620    HG3  MET  59           HG3      MET  59  16.896  -5.823   6.838
 1621    HE1  MET  59           HE1      MET  59  14.743  -6.249   3.454
 1622    HE2  MET  59           HE2      MET  59  16.010  -7.482   3.509
 1623    HE3  MET  59           HE3      MET  59  14.314  -7.950   3.689
 1624    H    SER  60           H        SER  60  16.598  -3.005   7.102
 1625    HA   SER  60           HA       SER  60  14.578  -4.442   8.583
 1626    HB2  SER  60           HB2      SER  60  16.985  -4.377   9.226
 1627    HB3  SER  60           HB3      SER  60  16.759  -2.682   9.672
 1628    HG   SER  60           HG       SER  60  14.832  -4.275  10.750
 1629    H    ASN  61           H        ASN  61  14.738  -1.486   7.102
 1630    HA   ASN  61           HA       ASN  61  12.969  -0.059   8.865
 1631    HB2  ASN  61           HB2      ASN  61  13.917   0.300   6.051
 1632    HB3  ASN  61           HB3      ASN  61  12.500   1.184   6.609
 1633   HD21  ASN  61          HD21      ASN  61  13.637   3.123   6.339
 1634   HD22  ASN  61          HD22      ASN  61  14.813   3.639   7.494
 1635    H    LEU  62           H        LEU  62  12.816  -2.468   6.442
 1636    HA   LEU  62           HA       LEU  62   9.880  -2.515   6.590
 1637    HB2  LEU  62           HB2      LEU  62  11.745  -3.666   4.512
 1638    HB3  LEU  62           HB3      LEU  62  10.017  -3.935   4.544
 1639    HG   LEU  62           HG       LEU  62  10.367  -2.299   2.921
 1640   HD11  LEU  62          HD11      LEU  62   8.511  -1.820   4.420
 1641   HD12  LEU  62          HD12      LEU  62   9.591  -0.839   5.427
 1642   HD13  LEU  62          HD13      LEU  62   9.229  -0.344   3.772
 1643   HD21  LEU  62          HD21      LEU  62  12.066  -0.779   4.876
 1644   HD22  LEU  62          HD22      LEU  62  12.650  -1.698   3.487
 1645   HD23  LEU  62          HD23      LEU  62  11.648  -0.267   3.240
 1646    H    ASP  63           H        ASP  63  12.322  -3.746   8.174
 1647    HA   ASP  63           HA       ASP  63  10.856  -6.214   8.702
 1648    HB2  ASP  63           HB2      ASP  63  12.620  -7.092   7.386
 1649    HB3  ASP  63           HB3      ASP  63  13.818  -6.057   8.152
 1650    H    SER  64           H        SER  64  10.116  -5.823  10.630
 1651    HA   SER  64           HA       SER  64  11.660  -4.284  12.536
 1652    HB2  SER  64           HB2      SER  64   8.909  -5.513  12.829
 1653    HB3  SER  64           HB3      SER  64   9.624  -4.271  13.859
 1654    HG   SER  64           HG       SER  64   8.423  -4.054  11.382
 1655    H    ASN  65           H        ASN  65  11.604  -7.442  11.617
 1656    HA   ASN  65           HA       ASN  65  11.818  -8.628  14.257
 1657    HB2  ASN  65           HB2      ASN  65  12.508  -9.861  11.577
 1658    HB3  ASN  65           HB3      ASN  65  12.302 -10.715  13.101
 1659   HD21  ASN  65          HD21      ASN  65  10.769  -9.255  10.407
 1660   HD22  ASN  65          HD22      ASN  65   9.148  -9.753  10.784
 1661    H    ARG  66           H        ARG  66  13.822  -7.098  11.964
 1662    HA   ARG  66           HA       ARG  66  16.038  -6.600  11.887
 1663    HB2  ARG  66           HB2      ARG  66  15.946  -7.607  14.737
 1664    HB3  ARG  66           HB3      ARG  66  17.372  -6.886  14.006
 1665    HG2  ARG  66           HG2      ARG  66  14.990  -5.237  13.718
 1666    HG3  ARG  66           HG3      ARG  66  15.419  -5.555  15.399
 1667    HD2  ARG  66           HD2      ARG  66  16.498  -3.526  14.623
 1668    HD3  ARG  66           HD3      ARG  66  17.699  -4.771  14.959
 1669    HE   ARG  66           HE       ARG  66  16.767  -4.306  12.206
 1670   HH11  ARG  66          HH12      ARG  66  19.342  -4.289  14.589
 1671   HH12  ARG  66          HH11      ARG  66  20.610  -4.134  13.406
 1672   HH21  ARG  66          HH22      ARG  66  18.424  -4.077  10.664
 1673   HH22  ARG  66          HH21      ARG  66  20.084  -3.998  11.165
 1674    H    ASP  67           H        ASP  67  15.177  -8.997  10.767
 1675    HA   ASP  67           HA       ASP  67  17.426 -10.816  11.383
 1676    HB2  ASP  67           HB2      ASP  67  15.225 -11.665  12.263
 1677    HB3  ASP  67           HB3      ASP  67  14.643 -11.715  10.601
 1678    H    ASN  68           H        ASN  68  15.941  -8.864   9.208
 1679    HA   ASN  68           HA       ASN  68  16.628  -8.269   7.123
 1680    HB2  ASN  68           HB2      ASN  68  18.384 -10.722   7.296
 1681    HB3  ASN  68           HB3      ASN  68  18.328  -9.671   5.887
 1682   HD21  ASN  68          HD21      ASN  68  18.107  -8.552   9.202
 1683   HD22  ASN  68          HD22      ASN  68  19.634  -7.736   9.230
 1684    H    GLU  69           H        GLU  69  14.255  -9.497   7.558
 1685    HA   GLU  69           HA       GLU  69  13.768 -10.498   4.903
 1686    HB2  GLU  69           HB2      GLU  69  12.417 -12.446   5.771
 1687    HB3  GLU  69           HB3      GLU  69  14.161 -12.612   5.906
 1688    HG2  GLU  69           HG2      GLU  69  14.116 -12.228   8.229
 1689    HG3  GLU  69           HG3      GLU  69  12.446 -11.662   8.180
 1690    H    VAL  70           H        VAL  70  12.113  -9.472   4.161
 1691    HA   VAL  70           HA       VAL  70  10.305  -8.059   5.897
 1692    HB   VAL  70           HB       VAL  70  10.777  -8.133   2.938
 1693   HG11  VAL  70          HG11      VAL  70   8.427  -6.798   4.277
 1694   HG12  VAL  70          HG12      VAL  70   8.902  -6.613   2.589
 1695   HG13  VAL  70          HG13      VAL  70   8.336  -8.176   3.179
 1696   HG21  VAL  70          HG21      VAL  70  10.556  -5.874   4.892
 1697   HG22  VAL  70          HG22      VAL  70  12.069  -6.704   4.504
 1698   HG23  VAL  70          HG23      VAL  70  11.206  -5.816   3.247
 1699    H    ASP  71           H        ASP  71   8.378  -8.656   6.508
 1700    HA   ASP  71           HA       ASP  71   7.209 -11.090   5.415
 1701    HB2  ASP  71           HB2      ASP  71   6.647  -9.447   7.879
 1702    HB3  ASP  71           HB3      ASP  71   5.515 -10.679   7.324
 1703    H    PHE  72           H        PHE  72   4.627 -10.913   5.569
 1704    HA   PHE  72           HA       PHE  72   4.036  -9.591   3.182
 1705    HB2  PHE  72           HB2      PHE  72   2.855 -11.588   4.469
 1706    HB3  PHE  72           HB3      PHE  72   1.809 -10.286   5.029
 1707    HD1  PHE  72           HD1      PHE  72   2.387  -8.763   2.258
 1708    HD2  PHE  72           HD2      PHE  72   0.880 -12.577   3.379
 1709    HE1  PHE  72           HE1      PHE  72   1.147  -8.879   0.134
 1710    HE2  PHE  72           HE2      PHE  72  -0.369 -12.702   1.271
 1711    HZ   PHE  72           HZ       PHE  72  -0.245 -10.850  -0.348
 1712    H    GLN  73           H        GLN  73   2.868  -8.778   6.493
 1713    HA   GLN  73           HA       GLN  73   1.490  -6.480   5.584
 1714    HB2  GLN  73           HB2      GLN  73   1.395  -7.770   7.924
 1715    HB3  GLN  73           HB3      GLN  73   2.493  -6.477   8.386
 1716    HG2  GLN  73           HG2      GLN  73   0.848  -4.834   7.560
 1717    HG3  GLN  73           HG3      GLN  73  -0.279  -6.167   7.297
 1718   HE21  GLN  73          HE21      GLN  73   1.361  -4.208   9.633
 1719   HE22  GLN  73          HE22      GLN  73   0.443  -4.731  11.013
 1720    H    GLU  74           H        GLU  74   4.824  -6.956   6.692
 1721    HA   GLU  74           HA       GLU  74   5.327  -4.155   6.952
 1722    HB2  GLU  74           HB2      GLU  74   6.557  -6.239   8.020
 1723    HB3  GLU  74           HB3      GLU  74   7.542  -6.106   6.568
 1724    HG2  GLU  74           HG2      GLU  74   8.700  -4.837   8.114
 1725    HG3  GLU  74           HG3      GLU  74   7.794  -3.630   7.200
 1726    H    TYR  75           H        TYR  75   5.490  -6.534   4.445
 1727    HA   TYR  75           HA       TYR  75   6.954  -4.955   2.574
 1728    HB2  TYR  75           HB2      TYR  75   6.831  -7.362   2.284
 1729    HB3  TYR  75           HB3      TYR  75   5.073  -7.298   2.190
 1730    HD1  TYR  75           HD2      TYR  75   4.013  -6.189   0.204
 1731    HD2  TYR  75           HD1      TYR  75   8.170  -7.059   0.384
 1732    HE1  TYR  75           HE2      TYR  75   4.138  -5.945  -2.231
 1733    HE2  TYR  75           HE1      TYR  75   8.318  -6.809  -2.072
 1734    HH   TYR  75           HH       TYR  75   5.842  -5.435  -3.940
 1735    H    CYS  76           H        CYS  76   3.560  -5.353   3.402
 1736    HA   CYS  76           HA       CYS  76   2.700  -3.835   1.135
 1737    HB2  CYS  76           HB2      CYS  76   1.130  -4.608   3.604
 1738    HB3  CYS  76           HB3      CYS  76   0.455  -4.040   2.076
 1739    HG   CYS  76           HG       CYS  76   2.158  -6.981   2.505
 1740    H    VAL  77           H        VAL  77   3.033  -3.210   4.631
 1741    HA   VAL  77           HA       VAL  77   2.220  -0.513   4.532
 1742    HB   VAL  77           HB       VAL  77   2.502  -1.638   6.678
 1743   HG11  VAL  77          HG11      VAL  77   5.367  -1.775   5.829
 1744   HG12  VAL  77          HG12      VAL  77   4.839  -2.030   7.500
 1745   HG13  VAL  77          HG13      VAL  77   4.270  -3.101   6.218
 1746   HG21  VAL  77          HG21      VAL  77   2.754   0.804   6.678
 1747   HG22  VAL  77          HG22      VAL  77   3.763   0.049   7.912
 1748   HG23  VAL  77          HG23      VAL  77   4.491   0.619   6.412
 1749    H    PHE  78           H        PHE  78   5.320  -2.098   3.958
 1750    HA   PHE  78           HA       PHE  78   7.019  -0.066   3.337
 1751    HB2  PHE  78           HB2      PHE  78   7.815  -2.253   3.033
 1752    HB3  PHE  78           HB3      PHE  78   6.449  -2.711   2.031
 1753    HD1  PHE  78           HD2      PHE  78   6.401  -2.170  -0.329
 1754    HD2  PHE  78           HD1      PHE  78   9.724  -1.153   2.126
 1755    HE1  PHE  78           HE2      PHE  78   7.758  -1.819  -2.347
 1756    HE2  PHE  78           HE1      PHE  78  11.107  -0.814   0.109
 1757    HZ   PHE  78           HZ       PHE  78  10.119  -1.143  -2.130
 1758    H    LEU  79           H        LEU  79   4.450  -1.373   1.321
 1759    HA   LEU  79           HA       LEU  79   4.855   0.321  -0.866
 1760    HB2  LEU  79           HB2      LEU  79   2.631  -1.427   0.045
 1761    HB3  LEU  79           HB3      LEU  79   2.357  -0.318  -1.285
 1762    HG   LEU  79           HG       LEU  79   4.782  -1.766  -1.756
 1763   HD11  LEU  79          HD11      LEU  79   2.336  -3.416  -1.155
 1764   HD12  LEU  79          HD12      LEU  79   3.757  -3.997  -2.025
 1765   HD13  LEU  79          HD13      LEU  79   3.900  -3.496  -0.342
 1766   HD21  LEU  79          HD21      LEU  79   3.016  -0.572  -3.219
 1767   HD22  LEU  79          HD22      LEU  79   3.853  -2.019  -3.842
 1768   HD23  LEU  79          HD23      LEU  79   2.201  -2.147  -3.195
 1769    H    SER  80           H        SER  80   2.641   0.522   1.875
 1770    HA   SER  80           HA       SER  80   1.350   2.834   0.821
 1771    HB2  SER  80           HB2      SER  80   0.578   2.906   3.352
 1772    HB3  SER  80           HB3      SER  80  -0.053   1.720   2.213
 1773    HG   SER  80           HG       SER  80   0.589   0.398   3.739
 1774    H    CYS  81           H        CYS  81   4.067   2.184   2.835
 1775    HA   CYS  81           HA       CYS  81   4.438   4.837   3.766
 1776    HB2  CYS  81           HB2      CYS  81   6.321   2.495   3.545
 1777    HB3  CYS  81           HB3      CYS  81   6.735   4.027   4.315
 1778    HG   CYS  81           HG       CYS  81   4.448   1.722   5.330
 1779    H    ILE  82           H        ILE  82   5.038   3.282   0.750
 1780    HA   ILE  82           HA       ILE  82   6.770   5.420  -0.148
 1781    HB   ILE  82           HB       ILE  82   5.289   3.347  -1.801
 1782   HG12  ILE  82          HG12      ILE  82   7.990   3.415  -0.516
 1783   HG13  ILE  82          HG13      ILE  82   6.856   2.080  -0.670
 1784   HG21  ILE  82          HG21      ILE  82   7.493   5.273  -2.565
 1785   HG22  ILE  82          HG22      ILE  82   6.787   4.043  -3.613
 1786   HG23  ILE  82          HG23      ILE  82   5.801   5.396  -3.051
 1787   HD11  ILE  82          HD11      ILE  82   8.596   3.225  -2.843
 1788   HD12  ILE  82          HD12      ILE  82   8.799   1.674  -2.029
 1789   HD13  ILE  82          HD13      ILE  82   7.398   1.939  -3.074
 1790    H    ALA  83           H        ALA  83   3.467   4.339  -0.861
 1791    HA   ALA  83           HA       ALA  83   2.647   6.485  -2.421
 1792    HB1  ALA  83           HB1      ALA  83   1.400   4.398  -2.162
 1793    HB2  ALA  83           HB2      ALA  83   0.981   4.861  -0.514
 1794    HB3  ALA  83           HB3      ALA  83   0.382   5.813  -1.874
 1795    H    MET  84           H        MET  84   2.272   6.034   1.078
 1796    HA   MET  84           HA       MET  84   1.021   8.537   1.455
 1797    HB2  MET  84           HB2      MET  84   0.600   6.718   2.976
 1798    HB3  MET  84           HB3      MET  84   2.300   6.646   3.407
 1799    HG2  MET  84           HG2      MET  84   2.060   8.975   4.311
 1800    HG3  MET  84           HG3      MET  84   0.317   8.794   4.079
 1801    HE1  MET  84           HE1      MET  84   2.268   5.631   4.705
 1802    HE2  MET  84           HE2      MET  84   3.401   6.811   5.404
 1803    HE3  MET  84           HE3      MET  84   2.587   5.616   6.454
 1804    H    MET  85           H        MET  85   4.305   7.461   1.443
 1805    HA   MET  85           HA       MET  85   5.448   9.755   2.639
 1806    HB2  MET  85           HB2      MET  85   6.550   7.548   2.219
 1807    HB3  MET  85           HB3      MET  85   6.675   8.019   0.520
 1808    HG2  MET  85           HG2      MET  85   7.739  10.178   1.650
 1809    HG3  MET  85           HG3      MET  85   8.155   8.990   2.873
 1810    HE1  MET  85           HE1      MET  85  10.216   6.547   1.701
 1811    HE2  MET  85           HE2      MET  85   8.452   6.666   1.969
 1812    HE3  MET  85           HE3      MET  85   9.100   6.239   0.362
 1813    H    CYS  86           H        CYS  86   4.275   8.943  -0.513
 1814    HA   CYS  86           HA       CYS  86   5.480  11.003  -2.016
 1815    HB2  CYS  86           HB2      CYS  86   4.577   8.944  -3.007
 1816    HB3  CYS  86           HB3      CYS  86   2.950   9.444  -2.564
 1817    HG   CYS  86           HG       CYS  86   3.848   9.751  -5.404
 1818    H    ASN  87           H        ASN  87   2.871  11.045   0.188
 1819    HA   ASN  87           HA       ASN  87   1.068  12.847  -0.697
 1820    HB2  ASN  87           HB2      ASN  87   0.602  13.510   1.559
 1821    HB3  ASN  87           HB3      ASN  87   1.016  11.808   1.556
 1822   HD21  ASN  87          HD21      ASN  87   3.904  12.221   1.453
 1823   HD22  ASN  87          HD22      ASN  87   4.363  12.845   2.999
 1824    H    GLU  88           H        GLU  88   4.198  13.764   0.688
 1825    HA   GLU  88           HA       GLU  88   3.676  16.574   0.409
 1826    HB2  GLU  88           HB2      GLU  88   6.209  15.045   1.012
 1827    HB3  GLU  88           HB3      GLU  88   6.070  16.798   1.068
 1828    HG2  GLU  88           HG2      GLU  88   4.880  16.784   2.996
 1829    HG3  GLU  88           HG3      GLU  88   4.125  15.228   2.648
 1830    H    PHE  89           H        PHE  89   4.834  14.143  -1.665
 1831    HA   PHE  89           HA       PHE  89   6.448  15.958  -3.256
 1832    HB2  PHE  89           HB2      PHE  89   5.949  12.984  -3.456
 1833    HB3  PHE  89           HB3      PHE  89   7.009  13.893  -4.539
 1834    HD1  PHE  89           HD1      PHE  89   8.991  15.101  -3.556
 1835    HD2  PHE  89           HD2      PHE  89   6.725  12.240  -1.370
 1836    HE1  PHE  89           HE1      PHE  89  10.849  14.851  -1.962
 1837    HE2  PHE  89           HE2      PHE  89   8.578  11.983   0.225
 1838    HZ   PHE  89           HZ       PHE  89  10.643  13.290  -0.069
 1839    H    PHE  90           H        PHE  90   3.772  13.675  -3.888
 1840    HA   PHE  90           HA       PHE  90   3.355  14.820  -6.505
 1841    HB2  PHE  90           HB2      PHE  90   3.088  12.424  -6.197
 1842    HB3  PHE  90           HB3      PHE  90   1.835  12.684  -4.988
 1843    HD1  PHE  90           HD2      PHE  90   2.669  13.170  -8.566
 1844    HD2  PHE  90           HD1      PHE  90  -0.411  12.909  -5.642
 1845    HE1  PHE  90           HE2      PHE  90   0.982  13.125 -10.354
 1846    HE2  PHE  90           HE1      PHE  90  -2.105  12.864  -7.426
 1847    HZ   PHE  90           HZ       PHE  90  -1.409  12.969  -9.785
 1848    H    GLU  91           H        GLU  91   1.297  14.419  -3.639
 1849    HA   GLU  91           HA       GLU  91  -0.679  16.257  -4.556
 1850    HB2  GLU  91           HB2      GLU  91  -1.383  14.555  -3.070
 1851    HB3  GLU  91           HB3      GLU  91  -0.103  14.904  -1.925
 1852    HG2  GLU  91           HG2      GLU  91  -2.162  15.665  -1.002
 1853    HG3  GLU  91           HG3      GLU  91  -1.224  17.086  -1.459
 1854    H    GLY  92           H        GLY  92   2.014  16.391  -2.310
 1855    HA2  GLY  92           HA2      GLY  92   3.376  18.382  -2.163
 1856    HA3  GLY  92           HA3      GLY  92   1.917  19.337  -2.407
 1857    H    PHE  93           H        PHE  93   0.262  17.870  -0.670
 1858    HA   PHE  93           HA       PHE  93  -0.450  17.672   1.444
 1859    HB2  PHE  93           HB2      PHE  93   1.465  16.008   1.427
 1860    HB3  PHE  93           HB3      PHE  93   2.429  17.248   2.220
 1861    HD1  PHE  93           HD2      PHE  93  -0.936  15.684   2.590
 1862    HD2  PHE  93           HD1      PHE  93   2.589  17.095   4.507
 1863    HE1  PHE  93           HE2      PHE  93  -1.836  14.957   4.760
 1864    HE2  PHE  93           HE1      PHE  93   1.699  16.369   6.682
 1865    HZ   PHE  93           HZ       PHE  93  -0.515  15.298   6.812
 1866    HA   PRO  94           HA       PRO  94   0.363  21.969   2.355
 1867    HB2  PRO  94           HB2      PRO  94  -2.091  22.514   3.379
 1868    HB3  PRO  94           HB3      PRO  94  -1.773  22.422   1.644
 1869    HG2  PRO  94           HG2      PRO  94  -2.974  20.376   3.463
 1870    HG3  PRO  94           HG3      PRO  94  -3.446  20.827   1.814
 1871    HD2  PRO  94           HD2      PRO  94  -1.961  18.618   2.397
 1872    HD3  PRO  94           HD3      PRO  94  -1.842  19.496   0.858
 1873    H    ASP  95           H        ASP  95   1.714  20.569   4.002
 1874    HA   ASP  95           HA       ASP  95   0.990  21.552   6.665
 1875    HB2  ASP  95           HB2      ASP  95   0.311  19.309   6.914
 1876    HB3  ASP  95           HB3      ASP  95   1.643  18.703   5.939
 1877    H    LYS  96           H        LYS  96   3.506  19.689   4.984
 1878    HA   LYS  96           HA       LYS  96   5.550  21.217   6.370
 1879    HB2  LYS  96           HB2      LYS  96   5.756  18.850   4.497
 1880    HB3  LYS  96           HB3      LYS  96   7.110  19.589   5.344
 1881    HG2  LYS  96           HG2      LYS  96   6.205  18.969   7.469
 1882    HG3  LYS  96           HG3      LYS  96   4.716  18.398   6.719
 1883    HD2  LYS  96           HD2      LYS  96   6.018  16.669   5.533
 1884    HD3  LYS  96           HD3      LYS  96   7.467  17.215   6.380
 1885    HE2  LYS  96           HE2      LYS  96   6.490  15.260   7.473
 1886    HE3  LYS  96           HE3      LYS  96   6.436  16.676   8.521
 1887    HZ1  LYS  96           HZ1      LYS  96   4.173  15.554   6.948
 1888    HZ2  LYS  96           HZ2      LYS  96   4.095  16.988   7.855
 1889    HZ3  LYS  96           HZ3      LYS  96   4.356  15.503   8.633
 1890    H    GLN  97           H        GLN  97   5.391  23.199   5.455
 1891    HA   GLN  97           HA       GLN  97   5.810  23.426   2.565
 1892    HB2  GLN  97           HB2      GLN  97   3.803  24.526   3.369
 1893    HB3  GLN  97           HB3      GLN  97   4.739  25.436   4.546
 1894    HG2  GLN  97           HG2      GLN  97   5.855  26.646   2.789
 1895    HG3  GLN  97           HG3      GLN  97   5.049  25.667   1.563
 1896   HE21  GLN  97          HE21      GLN  97   4.658  28.171   3.946
 1897   HE22  GLN  97          HE22      GLN  97   3.124  28.748   3.381
 1898    HA   PRO  98           HA       PRO  98   9.078  26.519   4.933
 1899    HB2  PRO  98           HB2      PRO  98   9.577  24.275   6.859
 1900    HB3  PRO  98           HB3      PRO  98   9.864  26.009   7.060
 1901    HG2  PRO  98           HG2      PRO  98   7.713  24.858   8.122
 1902    HG3  PRO  98           HG3      PRO  98   7.625  26.477   7.407
 1903    HD2  PRO  98           HD2      PRO  98   6.556  23.912   6.398
 1904    HD3  PRO  98           HD3      PRO  98   6.014  25.568   6.073
 1905    H    ARG  99           H        ARG  99   9.388  22.951   5.008
 1906    HA   ARG  99           HA       ARG  99  11.798  23.170   3.364
 1907    HB2  ARG  99           HB2      ARG  99  10.440  20.687   4.429
 1908    HB3  ARG  99           HB3      ARG  99  12.013  20.758   3.650
 1909    HG2  ARG  99           HG2      ARG  99  12.757  22.245   5.537
 1910    HG3  ARG  99           HG3      ARG  99  11.236  21.846   6.339
 1911    HD2  ARG  99           HD2      ARG  99  13.458  19.976   5.557
 1912    HD3  ARG  99           HD3      ARG  99  12.893  20.360   7.181
 1913    HE   ARG  99           HE       ARG  99  10.799  19.248   5.632
 1914   HH11  ARG  99          HH12      ARG  99  13.732  18.363   7.334
 1915   HH12  ARG  99          HH11      ARG  99  13.203  16.730   7.630
 1916   HH21  ARG  99          HH22      ARG  99  10.132  17.094   5.983
 1917   HH22  ARG  99          HH21      ARG  99  11.170  16.016   6.872
 1918    H    LYS 100           H        LYS 100  11.371  23.548   1.290
 1919    HA   LYS 100           HA       LYS 100   8.875  23.025   0.091
 1920    HB2  LYS 100           HB2      LYS 100  11.528  23.638  -1.213
 1921    HB3  LYS 100           HB3      LYS 100   9.970  23.680  -2.024
 1922    HG2  LYS 100           HG2      LYS 100   9.261  25.435  -0.385
 1923    HG3  LYS 100           HG3      LYS 100  10.927  25.474   0.194
 1924    HD2  LYS 100           HD2      LYS 100  10.010  26.043  -2.623
 1925    HD3  LYS 100           HD3      LYS 100  10.529  27.243  -1.438
 1926    HE2  LYS 100           HE2      LYS 100  12.756  26.386  -1.442
 1927    HE3  LYS 100           HE3      LYS 100  12.275  24.991  -2.407
 1928    HZ1  LYS 100           HZ1      LYS 100  11.735  26.518  -4.228
 1929    HZ2  LYS 100           HZ2      LYS 100  13.372  26.600  -3.789
 1930    HZ3  LYS 100           HZ3      LYS 100  12.303  27.824  -3.302
 1931    H    LYS 101           H        LYS 101   8.485  21.720  -1.822
 1932    HA   LYS 101           HA       LYS 101  10.051  19.256  -1.913
 1933    HB2  LYS 101           HB2      LYS 101   7.414  18.390  -2.212
 1934    HB3  LYS 101           HB3      LYS 101   8.461  18.107  -0.833
 1935    HG2  LYS 101           HG2      LYS 101   6.455  18.956   0.050
 1936    HG3  LYS 101           HG3      LYS 101   7.600  20.299   0.107
 1937    HD2  LYS 101           HD2      LYS 101   6.606  21.015  -2.131
 1938    HD3  LYS 101           HD3      LYS 101   5.313  19.862  -1.797
 1939    HE2  LYS 101           HE2      LYS 101   6.094  22.263  -0.154
 1940    HE3  LYS 101           HE3      LYS 101   4.610  22.043  -1.077
 1941    HZ1  LYS 101           HZ1      LYS 101   4.085  21.634   1.167
 1942    HZ2  LYS 101           HZ2      LYS 101   5.434  20.641   1.399
 1943    HZ3  LYS 101           HZ3      LYS 101   4.146  20.105   0.433
  Start of MODEL   18
    1    H1   GLN1897           H1       GLN1897 -21.366 -10.633   0.511
    2    H2   GLN1897           H2       GLN1897 -21.137  -8.956   0.392
    3    H3   GLN1897           H3       GLN1897 -21.414  -9.670   1.906
    4    HA   GLN1897           HA       GLN1897 -19.344 -10.887   1.741
    5    HB2  GLN1897           HB2      GLN1897 -17.730 -10.195   0.009
    6    HB3  GLN1897           HB3      GLN1897 -19.123 -11.038  -0.660
    7    HG2  GLN1897           HG2      GLN1897 -20.078  -8.878  -1.315
    8    HG3  GLN1897           HG3      GLN1897 -18.654  -8.064  -0.661
    9   HE21  GLN1897          HE21      GLN1897 -16.650  -8.333  -1.689
   10   HE22  GLN1897          HE22      GLN1897 -16.571  -8.824  -3.356
   11    H    ARG1898           H        ARG1898 -17.080  -9.670   1.875
   12    HA   ARG1898           HA       ARG1898 -16.904  -7.005   2.491
   13    HB2  ARG1898           HB2      ARG1898 -18.743  -7.573   4.109
   14    HB3  ARG1898           HB3      ARG1898 -17.608  -8.615   4.953
   15    HG2  ARG1898           HG2      ARG1898 -16.202  -6.706   5.466
   16    HG3  ARG1898           HG3      ARG1898 -17.287  -5.646   4.564
   17    HD2  ARG1898           HD2      ARG1898 -17.722  -5.491   6.949
   18    HD3  ARG1898           HD3      ARG1898 -19.103  -6.193   6.106
   19    HE   ARG1898           HE       ARG1898 -17.185  -8.032   7.321
   20   HH11  ARG1898          HH12      ARG1898 -20.307  -6.447   7.479
   21   HH12  ARG1898          HH11      ARG1898 -20.955  -7.568   8.629
   22   HH21  ARG1898          HH22      ARG1898 -18.010  -9.484   8.837
   23   HH22  ARG1898          HH21      ARG1898 -19.648  -9.299   9.418
   24    H    GLU1899           H        GLU1899 -15.145  -8.451   1.354
   25    HA   GLU1899           HA       GLU1899 -13.274  -9.882   2.902
   26    HB2  GLU1899           HB2      GLU1899 -11.670  -9.096   1.057
   27    HB3  GLU1899           HB3      GLU1899 -13.068 -10.040   0.546
   28    HG2  GLU1899           HG2      GLU1899 -13.481  -7.142   0.653
   29    HG3  GLU1899           HG3      GLU1899 -12.335  -7.677  -0.564
   30    H    LEU1900           H        LEU1900 -13.964  -6.553   2.434
   31    HA   LEU1900           HA       LEU1900 -11.518  -5.462   3.291
   32    HB2  LEU1900           HB2      LEU1900 -14.313  -4.341   3.104
   33    HB3  LEU1900           HB3      LEU1900 -12.960  -3.409   3.691
   34    HG   LEU1900           HG       LEU1900 -13.195  -2.743   1.498
   35   HD11  LEU1900          HD11      LEU1900 -11.058  -4.838   1.519
   36   HD12  LEU1900          HD12      LEU1900 -11.213  -3.543   0.330
   37   HD13  LEU1900          HD13      LEU1900 -10.909  -3.153   2.023
   38   HD21  LEU1900          HD21      LEU1900 -14.735  -4.399   0.749
   39   HD22  LEU1900          HD22      LEU1900 -13.409  -4.211  -0.403
   40   HD23  LEU1900          HD23      LEU1900 -13.448  -5.605   0.683
   41    H    GLU1901           H        GLU1901 -13.780  -7.217   5.009
   42    HA   GLU1901           HA       GLU1901 -13.615  -5.869   7.529
   43    HB2  GLU1901           HB2      GLU1901 -15.416  -7.463   7.060
   44    HB3  GLU1901           HB3      GLU1901 -14.242  -8.759   6.886
   45    HG2  GLU1901           HG2      GLU1901 -13.567  -8.233   9.290
   46    HG3  GLU1901           HG3      GLU1901 -15.062  -7.297   9.369
   47    H    ASP1902           H        ASP1902 -12.213  -8.933   6.399
   48    HA   ASP1902           HA       ASP1902 -10.287  -8.986   8.516
   49    HB2  ASP1902           HB2      ASP1902 -11.155 -11.073   7.679
   50    HB3  ASP1902           HB3      ASP1902 -10.637 -10.686   6.041
   51    H    ALA1903           H        ALA1903 -10.345  -7.869   5.229
   52    HA   ALA1903           HA       ALA1903  -7.551  -7.898   4.759
   53    HB1  ALA1903           HB1      ALA1903  -9.123  -7.796   2.914
   54    HB2  ALA1903           HB2      ALA1903  -9.708  -6.226   3.481
   55    HB3  ALA1903           HB3      ALA1903  -8.056  -6.387   2.892
   56    H    THR1904           H        THR1904  -9.690  -5.077   5.331
   57    HA   THR1904           HA       THR1904  -7.308  -3.521   5.870
   58    HB   THR1904           HB       THR1904  -8.793  -1.560   5.846
   59    HG1  THR1904           HG1      THR1904 -10.904  -1.778   5.864
   60   HG21  THR1904          HG21      THR1904  -9.179  -3.427   3.502
   61   HG22  THR1904          HG22      THR1904  -7.787  -2.377   3.766
   62   HG23  THR1904          HG23      THR1904  -9.378  -1.674   3.472
   63    H    GLU1905           H        GLU1905  -9.197  -5.432   7.732
   64    HA   GLU1905           HA       GLU1905  -9.401  -4.095  10.172
   65    HB2  GLU1905           HB2      GLU1905 -10.098  -6.422   9.895
   66    HB3  GLU1905           HB3      GLU1905  -8.432  -6.886   9.573
   67    HG2  GLU1905           HG2      GLU1905  -7.794  -6.338  11.832
   68    HG3  GLU1905           HG3      GLU1905  -9.423  -5.774  12.181
   69    H    THR1906           H        THR1906  -6.753  -5.816   8.687
   70    HA   THR1906           HA       THR1906  -4.775  -5.206  10.589
   71    HB   THR1906           HB       THR1906  -3.572  -5.724   8.078
   72    HG1  THR1906           HG1      THR1906  -5.500  -6.370   7.174
   73   HG21  THR1906          HG21      THR1906  -4.315  -7.552  10.368
   74   HG22  THR1906          HG22      THR1906  -2.828  -6.611  10.228
   75   HG23  THR1906          HG23      THR1906  -3.143  -7.932   9.103
   76    H    ALA1907           H        ALA1907  -6.262  -3.282   8.230
   77    HA   ALA1907           HA       ALA1907  -4.114  -1.669   7.424
   78    HB1  ALA1907           HB1      ALA1907  -7.026  -0.914   7.643
   79    HB2  ALA1907           HB2      ALA1907  -5.791  -0.002   6.773
   80    HB3  ALA1907           HB3      ALA1907  -6.243  -1.625   6.227
   81    H    ASP1908           H        ASP1908  -6.456  -1.317  10.047
   82    HA   ASP1908           HA       ASP1908  -5.586   1.098  11.114
   83    HB2  ASP1908           HB2      ASP1908  -7.594  -0.387  11.785
   84    HB3  ASP1908           HB3      ASP1908  -6.459  -1.215  12.842
   85    H    ALA1909           H        ALA1909  -4.348  -2.181  11.611
   86    HA   ALA1909           HA       ALA1909  -2.412  -1.462  13.579
   87    HB1  ALA1909           HB1      ALA1909  -1.475  -3.672  13.205
   88    HB2  ALA1909           HB2      ALA1909  -3.234  -3.754  13.324
   89    HB3  ALA1909           HB3      ALA1909  -2.452  -3.855  11.747
   90    H    MET1910           H        MET1910  -1.927  -2.464  10.170
   91    HA   MET1910           HA       MET1910   0.640  -1.713   9.755
   92    HB2  MET1910           HB2      MET1910  -0.362  -2.764   7.967
   93    HB3  MET1910           HB3      MET1910  -1.771  -1.722   7.992
   94    HG2  MET1910           HG2      MET1910  -0.428   0.107   7.054
   95    HG3  MET1910           HG3      MET1910   0.983  -0.953   7.035
   96    HE1  MET1910           HE1      MET1910   1.181  -3.117   5.524
   97    HE2  MET1910           HE2      MET1910  -0.321  -3.711   6.242
   98    HE3  MET1910           HE3      MET1910  -0.132  -3.695   4.489
   99    H    ASN1911           H        ASN1911  -2.078   0.511  10.001
  100    HA   ASN1911           HA       ASN1911  -0.778   2.782   8.865
  101    HB2  ASN1911           HB2      ASN1911  -3.257   2.469   9.306
  102    HB3  ASN1911           HB3      ASN1911  -2.911   2.789  10.994
  103   HD21  ASN1911          HD21      ASN1911  -3.059   4.092   7.826
  104   HD22  ASN1911          HD22      ASN1911  -3.004   5.747   8.277
  105    H    ARG1912           H        ARG1912  -0.840   1.465  12.141
  106    HA   ARG1912           HA       ARG1912   0.219   3.793  13.393
  107    HB2  ARG1912           HB2      ARG1912   0.558   0.975  14.379
  108    HB3  ARG1912           HB3      ARG1912   0.485   2.446  15.333
  109    HG2  ARG1912           HG2      ARG1912  -1.770   1.083  13.888
  110    HG3  ARG1912           HG3      ARG1912  -1.591   1.348  15.625
  111    HD2  ARG1912           HD2      ARG1912  -1.844   3.726  15.338
  112    HD3  ARG1912           HD3      ARG1912  -1.849   3.549  13.580
  113    HE   ARG1912           HE       ARG1912  -3.948   2.046  14.260
  114   HH11  ARG1912          HH12      ARG1912  -3.005   5.267  15.271
  115   HH12  ARG1912          HH11      ARG1912  -4.640   5.795  15.563
  116   HH21  ARG1912          HH22      ARG1912  -6.086   2.725  14.612
  117   HH22  ARG1912          HH21      ARG1912  -6.397   4.350  15.159
  118    H    GLU1913           H        GLU1913   1.594   0.804  12.149
  119    HA   GLU1913           HA       GLU1913   4.284   1.569  12.754
  120    HB2  GLU1913           HB2      GLU1913   4.875  -0.421  11.374
  121    HB3  GLU1913           HB3      GLU1913   3.763  -0.775  12.688
  122    HG2  GLU1913           HG2      GLU1913   1.898  -0.709  11.084
  123    HG3  GLU1913           HG3      GLU1913   3.058  -0.447   9.777
  124    H    VAL1914           H        VAL1914   2.123   1.833  10.000
  125    HA   VAL1914           HA       VAL1914   4.089   2.272   8.020
  126    HB   VAL1914           HB       VAL1914   1.557   1.710   7.734
  127   HG11  VAL1914          HG11      VAL1914   0.157   3.628   7.150
  128   HG12  VAL1914          HG12      VAL1914   0.643   3.669   8.848
  129   HG13  VAL1914          HG13      VAL1914   1.444   4.718   7.671
  130   HG21  VAL1914          HG21      VAL1914   2.917   3.657   5.898
  131   HG22  VAL1914          HG22      VAL1914   3.101   1.902   5.891
  132   HG23  VAL1914          HG23      VAL1914   1.545   2.626   5.488
  133    H    SER1915           H        SER1915   2.386   4.448  10.176
  134    HA   SER1915           HA       SER1915   3.205   6.812   8.825
  135    HB2  SER1915           HB2      SER1915   1.224   6.580  10.287
  136    HB3  SER1915           HB3      SER1915   2.289   6.494  11.688
  137    HG   SER1915           HG       SER1915   1.390   8.626  11.160
  138    H    SER1916           H        SER1916   4.404   4.864  11.494
  139    HA   SER1916           HA       SER1916   6.726   6.441  11.984
  140    HB2  SER1916           HB2      SER1916   6.271   3.483  12.470
  141    HB3  SER1916           HB3      SER1916   7.436   4.519  13.280
  142    HG   SER1916           HG       SER1916   4.761   4.180  13.766
  143    H    LEU1917           H        LEU1917   5.805   3.940   9.780
  144    HA   LEU1917           HA       LEU1917   8.352   3.019   9.016
  145    HB2  LEU1917           HB2      LEU1917   6.012   1.913   8.874
  146    HB3  LEU1917           HB3      LEU1917   5.855   2.788   7.368
  147    HG   LEU1917           HG       LEU1917   6.679   0.282   7.449
  148   HD11  LEU1917          HD11      LEU1917   6.349   1.448   5.399
  149   HD12  LEU1917          HD12      LEU1917   7.802   2.421   5.661
  150   HD13  LEU1917          HD13      LEU1917   7.937   0.689   5.357
  151   HD21  LEU1917          HD21      LEU1917   9.097   0.157   7.325
  152   HD22  LEU1917          HD22      LEU1917   9.200   1.868   7.754
  153   HD23  LEU1917          HD23      LEU1917   8.543   0.710   8.911
  154    H    LYS1918           H        LYS1918   5.969   5.053   7.308
  155    HA   LYS1918           HA       LYS1918   7.692   5.446   5.116
  156    HB2  LYS1918           HB2      LYS1918   5.874   6.287   4.165
  157    HB3  LYS1918           HB3      LYS1918   5.028   5.992   5.670
  158    HG2  LYS1918           HG2      LYS1918   6.506   8.543   5.273
  159    HG3  LYS1918           HG3      LYS1918   4.924   8.310   4.529
  160    HD2  LYS1918           HD2      LYS1918   3.968   8.846   6.461
  161    HD3  LYS1918           HD3      LYS1918   4.692   7.435   7.218
  162    HE2  LYS1918           HE2      LYS1918   5.256   9.416   8.446
  163    HE3  LYS1918           HE3      LYS1918   6.695   8.755   7.672
  164    HZ1  LYS1918           HZ1      LYS1918   6.313  10.425   5.852
  165    HZ2  LYS1918           HZ2      LYS1918   6.736  11.093   7.349
  166    HZ3  LYS1918           HZ3      LYS1918   5.124  11.135   6.833
  167    H    ASN1919           H        ASN1919   7.354   6.986   8.179
  168    HA   ASN1919           HA       ASN1919   8.891   9.314   7.654
  169    HB2  ASN1919           HB2      ASN1919   7.409   9.031   9.640
  170    HB3  ASN1919           HB3      ASN1919   8.558   7.868  10.293
  171   HD21  ASN1919          HD21      ASN1919   7.869  11.200   9.712
  172   HD22  ASN1919          HD22      ASN1919   9.208  11.853  10.594
  173    H    LYS1920           H        LYS1920   9.777   6.010   8.521
  174    HA   LYS1920           HA       LYS1920  12.507   6.805   9.038
  175    HB2  LYS1920           HB2      LYS1920  12.837   4.271   9.318
  176    HB3  LYS1920           HB3      LYS1920  11.900   5.119  10.532
  177    HG2  LYS1920           HG2      LYS1920   9.830   4.325   9.414
  178    HG3  LYS1920           HG3      LYS1920  10.815   3.348   8.321
  179    HD2  LYS1920           HD2      LYS1920  10.611   3.121  11.326
  180    HD3  LYS1920           HD3      LYS1920  10.077   1.949  10.118
  181    HE2  LYS1920           HE2      LYS1920  12.398   1.613   9.426
  182    HE3  LYS1920           HE3      LYS1920  12.929   2.786  10.628
  183    HZ1  LYS1920           HZ1      LYS1920  11.946   1.318  12.340
  184    HZ2  LYS1920           HZ2      LYS1920  13.244   0.619  11.503
  185    HZ3  LYS1920           HZ3      LYS1920  11.649   0.157  11.137
  186    H    LEU1921           H        LEU1921  10.522   5.644   6.525
  187    HA   LEU1921           HA       LEU1921  12.781   4.959   4.864
  188    HB2  LEU1921           HB2      LEU1921   9.866   5.222   4.134
  189    HB3  LEU1921           HB3      LEU1921  11.129   4.584   3.100
  190    HG   LEU1921           HG       LEU1921   9.886   3.335   5.526
  191   HD11  LEU1921          HD11      LEU1921   9.576   1.469   4.025
  192   HD12  LEU1921          HD12      LEU1921   8.921   2.949   3.313
  193   HD13  LEU1921          HD13      LEU1921  10.469   2.312   2.756
  194   HD21  LEU1921          HD21      LEU1921  11.600   1.604   5.482
  195   HD22  LEU1921          HD22      LEU1921  12.485   2.499   4.245
  196   HD23  LEU1921          HD23      LEU1921  12.300   3.177   5.862
  197    H    ARG1922           H        ARG1922  11.273   7.786   5.838
  198    HA   ARG1922           HA       ARG1922  12.152   9.300   3.566
  199    HB2  ARG1922           HB2      ARG1922  10.609   9.677   6.054
  200    HB3  ARG1922           HB3      ARG1922  11.520  11.041   5.511
  201    HG2  ARG1922           HG2      ARG1922   9.325   9.609   4.067
  202    HG3  ARG1922           HG3      ARG1922   9.308  11.264   4.673
  203    HD2  ARG1922           HD2      ARG1922  10.960  10.189   2.389
  204    HD3  ARG1922           HD3      ARG1922   9.580  11.273   2.278
  205    HE   ARG1922           HE       ARG1922  10.961  12.942   3.476
  206   HH11  ARG1922          HH12      ARG1922  12.527  10.294   1.813
  207   HH12  ARG1922          HH11      ARG1922  14.004  11.162   1.528
  208   HH21  ARG1922          HH22      ARG1922  12.912  14.108   3.101
  209   HH22  ARG1922          HH21      ARG1922  14.217  13.330   2.258
  210    H    ARG1923           H        ARG1923  13.611   7.705   5.934
  211    HA   ARG1923           HA       ARG1923  15.826   9.580   6.223
  212    HB2  ARG1923           HB2      ARG1923  14.068   9.744   8.129
  213    HB3  ARG1923           HB3      ARG1923  14.683   8.180   8.633
  214    HG2  ARG1923           HG2      ARG1923  16.923   9.151   8.875
  215    HG3  ARG1923           HG3      ARG1923  16.274  10.725   8.407
  216    HD2  ARG1923           HD2      ARG1923  15.388   9.105  10.789
  217    HD3  ARG1923           HD3      ARG1923  16.478  10.491  10.845
  218    HE   ARG1923           HE       ARG1923  14.360  11.580   9.667
  219   HH11  ARG1923          HH12      ARG1923  14.520   9.420  12.424
  220   HH12  ARG1923          HH11      ARG1923  13.140  10.124  13.215
  221   HH21  ARG1923          HH22      ARG1923  12.530  12.490  10.685
  222   HH22  ARG1923          HH21      ARG1923  12.012  11.881  12.229
  223    H    GLY1924           H        GLY1924  16.832   7.756   8.382
  224    HA2  GLY1924           HA2      GLY1924  18.157   5.919   8.626
  225    HA3  GLY1924           HA3      GLY1924  16.994   5.101   7.599
  226    H    ASP1925           H        ASP1925  18.776   7.865   6.433
  227    HA   ASP1925           HA       ASP1925  20.068   8.112   4.571
  228    HB2  ASP1925           HB2      ASP1925  21.301   5.591   5.701
  229    HB3  ASP1925           HB3      ASP1925  21.975   6.467   4.331
  230    H    LEU1926           H        LEU1926  17.574   6.734   4.336
  231    HA   LEU1926           HA       LEU1926  17.547   4.383   2.930
  232    HB2  LEU1926           HB2      LEU1926  15.717   6.685   3.188
  233    HB3  LEU1926           HB3      LEU1926  15.437   5.639   1.812
  234    HG   LEU1926           HG       LEU1926  14.672   5.252   4.595
  235   HD11  LEU1926          HD11      LEU1926  14.222   3.681   2.028
  236   HD12  LEU1926          HD12      LEU1926  13.297   3.515   3.520
  237   HD13  LEU1926          HD13      LEU1926  13.239   5.025   2.610
  238   HD21  LEU1926          HD21      LEU1926  16.243   2.990   3.316
  239   HD22  LEU1926          HD22      LEU1926  16.754   3.924   4.726
  240   HD23  LEU1926          HD23      LEU1926  15.310   2.913   4.809
  241    HA   PRO1927           HA       PRO1927  19.109   5.534  -1.094
  242    HB2  PRO1927           HB2      PRO1927  19.275   3.062  -2.065
  243    HB3  PRO1927           HB3      PRO1927  20.363   3.590  -0.774
  244    HG2  PRO1927           HG2      PRO1927  17.912   1.888  -0.614
  245    HG3  PRO1927           HG3      PRO1927  19.451   1.717   0.247
  246    HD2  PRO1927           HD2      PRO1927  17.149   2.883   1.283
  247    HD3  PRO1927           HD3      PRO1927  18.789   3.122   1.911
  248    H    PHE1928           H        PHE1928  16.140   4.975  -0.180
  249    HA   PHE1928           HA       PHE1928  15.001   4.879  -2.839
  250    HB2  PHE1928           HB2      PHE1928  14.392   2.727  -2.724
  251    HB3  PHE1928           HB3      PHE1928  15.202   2.581  -1.191
  252    HD1  PHE1928           HD2      PHE1928  11.971   3.855  -2.532
  253    HD2  PHE1928           HD1      PHE1928  14.063   1.757   0.483
  254    HE1  PHE1928           HE2      PHE1928   9.849   3.348  -1.428
  255    HE2  PHE1928           HE1      PHE1928  11.933   1.228   1.601
  256    HZ   PHE1928           HZ       PHE1928   9.846   2.020   0.626
  257    H    VAL1929           H        VAL1929  13.364   6.233  -2.958
  258    HA   VAL1929           HA       VAL1929  11.720   7.014  -0.741
  259    HB   VAL1929           HB       VAL1929  12.462   9.458  -0.974
  260   HG11  VAL1929          HG11      VAL1929  14.382   7.511   0.277
  261   HG12  VAL1929          HG12      VAL1929  14.210   9.218   0.692
  262   HG13  VAL1929          HG13      VAL1929  12.890   8.092   1.017
  263   HG21  VAL1929          HG21      VAL1929  14.876   8.052  -2.088
  264   HG22  VAL1929          HG22      VAL1929  13.779   9.104  -2.983
  265   HG23  VAL1929          HG23      VAL1929  14.780   9.771  -1.689
  266    H    VAL1930           H        VAL1930  10.144   8.611  -1.382
  267    HA   VAL1930           HA       VAL1930   9.415   8.365  -4.138
  268    HB   VAL1930           HB       VAL1930   8.200  10.132  -2.010
  269   HG11  VAL1930          HG11      VAL1930   6.215  10.077  -3.477
  270   HG12  VAL1930          HG12      VAL1930   7.601  10.854  -4.240
  271   HG13  VAL1930          HG13      VAL1930   7.159   9.206  -4.683
  272   HG21  VAL1930          HG21      VAL1930   7.431   7.366  -2.911
  273   HG22  VAL1930          HG22      VAL1930   8.174   7.784  -1.367
  274   HG23  VAL1930          HG23      VAL1930   6.549   8.355  -1.749
  275    HA   PRO1931           HA       PRO1931  11.541  12.104  -5.511
  276    HB2  PRO1931           HB2      PRO1931  10.343  12.024  -7.993
  277    HB3  PRO1931           HB3      PRO1931  11.824  11.158  -7.574
  278    HG2  PRO1931           HG2      PRO1931   9.014  10.152  -7.729
  279    HG3  PRO1931           HG3      PRO1931  10.525   9.356  -8.213
  280    HD2  PRO1931           HD2      PRO1931   9.236   8.758  -5.917
  281    HD3  PRO1931           HD3      PRO1931  11.005   8.685  -6.056
  282    H    ARG1932           H        ARG1932  10.697  14.182  -6.461
  283    HA   ARG1932           HA       ARG1932   8.628  15.186  -4.879
  284    HB2  ARG1932           HB2      ARG1932  10.405  16.580  -5.861
  285    HB3  ARG1932           HB3      ARG1932   9.718  16.322  -7.458
  286    HG2  ARG1932           HG2      ARG1932   7.664  17.461  -6.738
  287    HG3  ARG1932           HG3      ARG1932   8.401  17.759  -5.162
  288    HD2  ARG1932           HD2      ARG1932  10.156  19.069  -6.206
  289    HD3  ARG1932           HD3      ARG1932   9.491  18.724  -7.801
  290    HE   ARG1932           HE       ARG1932   7.826  20.122  -5.827
  291   HH11  ARG1932          HH12      ARG1932   9.605  20.129  -8.843
  292   HH12  ARG1932          HH11      ARG1932   8.915  21.627  -9.398
  293   HH21  ARG1932          HH22      ARG1932   6.922  22.103  -6.544
  294   HH22  ARG1932          HH21      ARG1932   7.385  22.745  -8.098
  295    H    ARG1933           H        ARG1933   8.657  14.030  -8.160
  296    HA   ARG1933           HA       ARG1933   5.725  13.752  -8.061
  297    HB2  ARG1933           HB2      ARG1933   6.520  15.612  -9.614
  298    HB3  ARG1933           HB3      ARG1933   7.369  14.386 -10.537
  299    HG2  ARG1933           HG2      ARG1933   5.223  13.295 -11.021
  300    HG3  ARG1933           HG3      ARG1933   4.389  14.574 -10.137
  301    HD2  ARG1933           HD2      ARG1933   6.050  14.851 -12.637
  302    HD3  ARG1933           HD3      ARG1933   4.307  15.064 -12.489
  303    HE   ARG1933           HE       ARG1933   5.027  16.951 -10.866
  304   HH11  ARG1933          HH12      ARG1933   6.629  16.029 -13.839
  305   HH12  ARG1933          HH11      ARG1933   7.266  17.616 -14.149
  306   HH21  ARG1933          HH22      ARG1933   5.895  19.028 -11.226
  307   HH22  ARG1933          HH21      ARG1933   6.875  19.324 -12.632
  308    H    MET1934           H        MET1934   5.130  11.907  -9.724
  309    HA   MET1934           HA       MET1934   6.634   9.622  -9.196
  310    HB2  MET1934           HB2      MET1934   4.644  10.221 -11.376
  311    HB3  MET1934           HB3      MET1934   5.370   8.630 -11.159
  312    HG2  MET1934           HG2      MET1934   3.777  10.127  -9.092
  313    HG3  MET1934           HG3      MET1934   3.191   8.782 -10.074
  314    HE1  MET1934           HE1      MET1934   2.653   8.366  -7.206
  315    HE2  MET1934           HE2      MET1934   3.936   7.782  -6.143
  316    HE3  MET1934           HE3      MET1934   3.911   9.476  -6.652
  317    H    ALA1935           H        ALA1935   7.114  12.112 -11.500
  318    HA   ALA1935           HA       ALA1935   8.990  12.714 -12.592
  319    HB1  ALA1935           HB1      ALA1935  10.260  10.402 -11.131
  320    HB2  ALA1935           HB2      ALA1935  11.109  11.732 -11.923
  321    HB3  ALA1935           HB3      ALA1935  10.094  12.047 -10.512
  322    H    MET   1           H1       MET   1   3.208  -5.721 -19.127
  323    HA   MET   1           HA       MET   1   0.700  -4.175 -19.436
  324    HB2  MET   1           HB2      MET   1   2.049  -5.305 -16.967
  325    HB3  MET   1           HB3      MET   1   0.568  -4.362 -16.988
  326    HG2  MET   1           HG2      MET   1  -0.113  -6.576 -16.713
  327    HG3  MET   1           HG3      MET   1  -0.421  -6.209 -18.409
  328    HE1  MET   1           HE1      MET   1   3.132  -8.753 -16.910
  329    HE2  MET   1           HE2      MET   1   3.012  -7.015 -16.638
  330    HE3  MET   1           HE3      MET   1   1.876  -8.111 -15.852
  331    H    ALA   2           H        ALA   2   0.900  -2.433 -17.502
  332    HA   ALA   2           HA       ALA   2   3.118  -0.702 -18.091
  333    HB1  ALA   2           HB1      ALA   2   2.144   0.742 -16.359
  334    HB2  ALA   2           HB2      ALA   2   0.913   0.207 -17.503
  335    HB3  ALA   2           HB3      ALA   2   1.027  -0.547 -15.913
  336    H    CYS   3           H        CYS   3   4.424   0.168 -16.120
  337    HA   CYS   3           HA       CYS   3   5.807  -1.899 -14.829
  338    HB2  CYS   3           HB2      CYS   3   5.597   0.997 -13.977
  339    HB3  CYS   3           HB3      CYS   3   6.869  -0.137 -13.529
  340    HG   CYS   3           HG       CYS   3   7.733   1.795 -15.470
  341    HA   PRO   4           HA       PRO   4   2.243  -2.982 -12.400
  342    HB2  PRO   4           HB2      PRO   4   4.242  -4.793 -11.144
  343    HB3  PRO   4           HB3      PRO   4   2.673  -5.179 -11.869
  344    HG2  PRO   4           HG2      PRO   4   4.872  -5.790 -13.178
  345    HG3  PRO   4           HG3      PRO   4   3.522  -5.044 -14.054
  346    HD2  PRO   4           HD2      PRO   4   6.034  -3.770 -13.018
  347    HD3  PRO   4           HD3      PRO   4   5.258  -3.588 -14.607
  348    H    LEU   5           H        LEU   5   5.223  -3.304 -10.446
  349    HA   LEU   5           HA       LEU   5   3.896  -2.545  -8.059
  350    HB2  LEU   5           HB2      LEU   5   6.247  -3.778  -8.642
  351    HB3  LEU   5           HB3      LEU   5   6.822  -2.190  -8.177
  352    HG   LEU   5           HG       LEU   5   6.855  -3.759  -6.295
  353   HD11  LEU   5          HD11      LEU   5   5.638  -2.400  -4.669
  354   HD12  LEU   5          HD12      LEU   5   6.556  -1.413  -5.806
  355   HD13  LEU   5          HD13      LEU   5   4.811  -1.574  -5.990
  356   HD21  LEU   5          HD21      LEU   5   3.870  -3.879  -6.680
  357   HD22  LEU   5          HD22      LEU   5   5.013  -5.198  -6.937
  358   HD23  LEU   5          HD23      LEU   5   4.758  -4.556  -5.314
  359    H    GLU   6           H        GLU   6   5.673  -0.759 -10.499
  360    HA   GLU   6           HA       GLU   6   6.067   1.581  -9.005
  361    HB2  GLU   6           HB2      GLU   6   7.247   1.128 -11.124
  362    HB3  GLU   6           HB3      GLU   6   5.734   1.344 -11.997
  363    HG2  GLU   6           HG2      GLU   6   5.628   3.653 -11.339
  364    HG3  GLU   6           HG3      GLU   6   7.047   3.464 -10.313
  365    H    LYS   7           H        LYS   7   3.477   0.601 -11.208
  366    HA   LYS   7           HA       LYS   7   2.004   2.995 -10.928
  367    HB2  LYS   7           HB2      LYS   7   1.501   0.322 -12.103
  368    HB3  LYS   7           HB3      LYS   7   0.084   1.271 -11.665
  369    HG2  LYS   7           HG2      LYS   7   2.322   2.295 -13.399
  370    HG3  LYS   7           HG3      LYS   7   0.835   1.568 -14.018
  371    HD2  LYS   7           HD2      LYS   7  -0.495   3.292 -12.984
  372    HD3  LYS   7           HD3      LYS   7   0.929   3.973 -12.200
  373    HE2  LYS   7           HE2      LYS   7   0.619   3.773 -15.184
  374    HE3  LYS   7           HE3      LYS   7   0.109   5.179 -14.253
  375    HZ1  LYS   7           HZ1      LYS   7   2.881   4.107 -14.411
  376    HZ2  LYS   7           HZ2      LYS   7   2.399   5.442 -13.485
  377    HZ3  LYS   7           HZ3      LYS   7   2.303   5.505 -15.174
  378    H    ALA   8           H        ALA   8   2.198   0.102  -9.001
  379    HA   ALA   8           HA       ALA   8  -0.149   0.231  -7.542
  380    HB1  ALA   8           HB1      ALA   8   1.491  -1.563  -7.284
  381    HB2  ALA   8           HB2      ALA   8   2.592  -0.445  -6.482
  382    HB3  ALA   8           HB3      ALA   8   1.056  -0.861  -5.727
  383    H    LEU   9           H        LEU   9   2.936   1.869  -6.714
  384    HA   LEU   9           HA       LEU   9   1.695   3.357  -4.604
  385    HB2  LEU   9           HB2      LEU   9   4.332   3.894  -5.982
  386    HB3  LEU   9           HB3      LEU   9   3.791   4.619  -4.483
  387    HG   LEU   9           HG       LEU   9   5.258   2.995  -3.753
  388   HD11  LEU   9          HD11      LEU   9   2.579   1.630  -3.784
  389   HD12  LEU   9          HD12      LEU   9   3.935   1.221  -2.732
  390   HD13  LEU   9          HD13      LEU   9   3.150   2.795  -2.591
  391   HD21  LEU   9          HD21      LEU   9   5.420   0.738  -4.628
  392   HD22  LEU   9          HD22      LEU   9   4.105   1.067  -5.755
  393   HD23  LEU   9          HD23      LEU   9   5.638   1.928  -5.915
  394    H    ASP  10           H        ASP  10   2.384   3.941  -7.975
  395    HA   ASP  10           HA       ASP  10   1.971   6.712  -8.085
  396    HB2  ASP  10           HB2      ASP  10   2.907   5.456  -9.963
  397    HB3  ASP  10           HB3      ASP  10   1.390   4.589 -10.167
  398    H    VAL  11           H        VAL  11  -0.314   4.085  -8.798
  399    HA   VAL  11           HA       VAL  11  -2.489   5.829  -9.261
  400    HB   VAL  11           HB       VAL  11  -3.861   3.882  -9.419
  401   HG11  VAL  11          HG11      VAL  11  -1.091   3.266 -10.433
  402   HG12  VAL  11          HG12      VAL  11  -2.598   2.579 -11.042
  403   HG13  VAL  11          HG13      VAL  11  -2.275   4.304 -11.231
  404   HG21  VAL  11          HG21      VAL  11  -3.167   2.736  -7.383
  405   HG22  VAL  11          HG22      VAL  11  -3.077   1.652  -8.770
  406   HG23  VAL  11          HG23      VAL  11  -1.605   2.364  -8.110
  407    H    MET  12           H        MET  12  -1.169   4.406  -6.402
  408    HA   MET  12           HA       MET  12  -3.289   4.525  -4.639
  409    HB2  MET  12           HB2      MET  12  -0.348   4.915  -4.362
  410    HB3  MET  12           HB3      MET  12  -1.385   5.284  -2.990
  411    HG2  MET  12           HG2      MET  12  -2.184   3.070  -2.883
  412    HG3  MET  12           HG3      MET  12  -1.458   2.662  -4.438
  413    HE1  MET  12           HE1      MET  12  -0.725   0.520  -2.894
  414    HE2  MET  12           HE2      MET  12   0.423   0.657  -1.557
  415    HE3  MET  12           HE3      MET  12  -1.214   1.293  -1.380
  416    H    VAL  13           H        VAL  13  -1.077   7.151  -5.591
  417    HA   VAL  13           HA       VAL  13  -2.845   9.045  -4.259
  418    HB   VAL  13           HB       VAL  13  -1.179  10.775  -4.901
  419   HG11  VAL  13          HG11      VAL  13  -1.092   9.744  -2.710
  420   HG12  VAL  13          HG12      VAL  13  -0.136   8.405  -3.351
  421   HG13  VAL  13          HG13      VAL  13   0.548  10.034  -3.306
  422   HG21  VAL  13          HG21      VAL  13  -0.242   9.706  -6.868
  423   HG22  VAL  13          HG22      VAL  13   1.015  10.081  -5.683
  424   HG23  VAL  13          HG23      VAL  13   0.432   8.424  -5.860
  425    H    SER  14           H        SER  14  -2.017   8.002  -7.508
  426    HA   SER  14           HA       SER  14  -3.135  10.189  -8.902
  427    HB2  SER  14           HB2      SER  14  -2.807   7.305  -9.767
  428    HB3  SER  14           HB3      SER  14  -3.223   8.638 -10.845
  429    HG   SER  14           HG       SER  14  -0.844   7.864 -10.353
  430    H    THR  15           H        THR  15  -4.548   6.947  -8.365
  431    HA   THR  15           HA       THR  15  -7.152   7.648  -9.201
  432    HB   THR  15           HB       THR  15  -6.263   5.444  -7.319
  433    HG1  THR  15           HG1      THR  15  -6.748   4.380  -9.617
  434   HG21  THR  15          HG21      THR  15  -8.692   5.864  -7.237
  435   HG22  THR  15          HG22      THR  15  -8.307   4.294  -7.941
  436   HG23  THR  15          HG23      THR  15  -8.775   5.640  -8.985
  437    H    PHE  16           H        PHE  16  -5.462   7.804  -6.156
  438    HA   PHE  16           HA       PHE  16  -7.450   8.374  -4.330
  439    HB2  PHE  16           HB2      PHE  16  -5.044   8.119  -3.831
  440    HB3  PHE  16           HB3      PHE  16  -4.731   9.670  -4.588
  441    HD1  PHE  16           HD1      PHE  16  -6.400   8.028  -1.744
  442    HD2  PHE  16           HD2      PHE  16  -4.926  11.655  -3.391
  443    HE1  PHE  16           HE1      PHE  16  -6.664   9.123   0.441
  444    HE2  PHE  16           HE2      PHE  16  -5.194  12.760  -1.217
  445    HZ   PHE  16           HZ       PHE  16  -6.063  11.491   0.705
  446    H    HIS  17           H        HIS  17  -5.521  10.815  -6.064
  447    HA   HIS  17           HA       HIS  17  -7.035  13.038  -5.282
  448    HB2  HIS  17           HB2      HIS  17  -5.166  12.564  -7.596
  449    HB3  HIS  17           HB3      HIS  17  -5.964  14.111  -7.363
  450    HD1  HIS  17           HD1      HIS  17  -4.205  15.633  -6.567
  451    HD2  HIS  17           HD2      HIS  17  -4.009  11.947  -4.660
  452    HE1  HIS  17           HE1      HIS  17  -2.374  15.850  -4.867
  453    HE2  HIS  17           HE2      HIS  17  -2.536  13.742  -3.511
  454    H    LYS  18           H        LYS  18  -7.578  10.706  -7.754
  455    HA   LYS  18           HA       LYS  18  -9.159  12.317  -9.479
  456    HB2  LYS  18           HB2      LYS  18  -7.906  10.285 -10.169
  457    HB3  LYS  18           HB3      LYS  18  -9.038   9.309  -9.244
  458    HG2  LYS  18           HG2      LYS  18 -10.863  10.083 -10.680
  459    HG3  LYS  18           HG3      LYS  18  -9.707  11.026 -11.623
  460    HD2  LYS  18           HD2      LYS  18  -8.491   8.941 -12.148
  461    HD3  LYS  18           HD3      LYS  18  -9.726   8.030 -11.275
  462    HE2  LYS  18           HE2      LYS  18 -10.196   7.950 -13.634
  463    HE3  LYS  18           HE3      LYS  18 -11.425   8.921 -12.824
  464    HZ1  LYS  18           HZ1      LYS  18 -10.454  10.903 -13.624
  465    HZ2  LYS  18           HZ2      LYS  18 -10.525   9.855 -14.955
  466    HZ3  LYS  18           HZ3      LYS  18  -9.057  10.105 -14.152
  467    H    TYR  19           H        TYR  19  -9.874  10.266  -6.706
  468    HA   TYR  19           HA       TYR  19 -12.742  10.635  -7.256
  469    HB2  TYR  19           HB2      TYR  19 -11.360   8.461  -5.679
  470    HB3  TYR  19           HB3      TYR  19 -13.106   8.651  -5.787
  471    HD1  TYR  19           HD1      TYR  19 -10.060   7.967  -7.769
  472    HD2  TYR  19           HD2      TYR  19 -14.306   7.806  -7.658
  473    HE1  TYR  19           HE1      TYR  19 -10.052   6.618  -9.818
  474    HE2  TYR  19           HE2      TYR  19 -14.308   6.451  -9.716
  475    HH   TYR  19           HH       TYR  19 -11.385   5.118 -11.029
  476    H    SER  20           H        SER  20 -10.243  11.155  -4.857
  477    HA   SER  20           HA       SER  20 -11.977  11.576  -2.648
  478    HB2  SER  20           HB2      SER  20  -9.980  12.722  -1.624
  479    HB3  SER  20           HB3      SER  20  -9.638  11.110  -2.264
  480    HG   SER  20           HG       SER  20  -8.216  13.077  -2.831
  481    H    GLY  21           H        GLY  21 -10.376  13.819  -4.885
  482    HA2  GLY  21           HA2      GLY  21 -11.663  16.119  -3.724
  483    HA3  GLY  21           HA3      GLY  21 -10.626  16.105  -5.143
  484    H    LYS  22           H        LYS  22 -13.562  14.214  -4.619
  485    HA   LYS  22           HA       LYS  22 -14.753  15.589  -6.922
  486    HB2  LYS  22           HB2      LYS  22 -14.474  13.176  -7.185
  487    HB3  LYS  22           HB3      LYS  22 -15.372  12.893  -5.701
  488    HG2  LYS  22           HG2      LYS  22 -17.396  13.614  -6.675
  489    HG3  LYS  22           HG3      LYS  22 -16.563  14.285  -8.080
  490    HD2  LYS  22           HD2      LYS  22 -16.703  11.362  -7.345
  491    HD3  LYS  22           HD3      LYS  22 -17.650  12.154  -8.603
  492    HE2  LYS  22           HE2      LYS  22 -15.419  12.856  -9.610
  493    HE3  LYS  22           HE3      LYS  22 -14.683  11.691  -8.513
  494    HZ1  LYS  22           HZ1      LYS  22 -16.705  11.102 -10.605
  495    HZ2  LYS  22           HZ2      LYS  22 -16.082   9.959  -9.516
  496    HZ3  LYS  22           HZ3      LYS  22 -15.058  10.697 -10.654
  497    H    GLU  23           H        GLU  23 -15.980  13.918  -4.009
  498    HA   GLU  23           HA       GLU  23 -17.825  16.196  -3.626
  499    HB2  GLU  23           HB2      GLU  23 -18.142  13.309  -2.788
  500    HB3  GLU  23           HB3      GLU  23 -19.283  14.595  -2.423
  501    HG2  GLU  23           HG2      GLU  23 -18.543  13.632  -5.177
  502    HG3  GLU  23           HG3      GLU  23 -20.020  13.228  -4.302
  503    H    GLY  24           H        GLY  24 -14.983  15.316  -2.572
  504    HA2  GLY  24           HA2      GLY  24 -15.473  16.416   0.091
  505    HA3  GLY  24           HA3      GLY  24 -14.676  14.852   0.000
  506    H    ASP  25           H        ASP  25 -12.926  16.015   1.131
  507    HA   ASP  25           HA       ASP  25 -11.404  18.022  -0.182
  508    HB2  ASP  25           HB2      ASP  25 -10.445  15.983   1.847
  509    HB3  ASP  25           HB3      ASP  25  -9.605  17.459   1.389
  510    H    LYS  26           H        LYS  26  -9.372  17.786  -1.272
  511    HA   LYS  26           HA       LYS  26  -9.435  15.647  -3.146
  512    HB2  LYS  26           HB2      LYS  26  -7.370  16.665  -4.069
  513    HB3  LYS  26           HB3      LYS  26  -8.695  17.795  -3.897
  514    HG2  LYS  26           HG2      LYS  26  -6.852  19.006  -3.199
  515    HG3  LYS  26           HG3      LYS  26  -7.582  18.477  -1.689
  516    HD2  LYS  26           HD2      LYS  26  -5.226  18.178  -1.504
  517    HD3  LYS  26           HD3      LYS  26  -5.956  16.581  -1.659
  518    HE2  LYS  26           HE2      LYS  26  -3.922  16.813  -3.012
  519    HE3  LYS  26           HE3      LYS  26  -5.340  16.492  -4.003
  520    HZ1  LYS  26           HZ1      LYS  26  -3.917  18.215  -4.948
  521    HZ2  LYS  26           HZ2      LYS  26  -4.125  19.166  -3.562
  522    HZ3  LYS  26           HZ3      LYS  26  -5.449  18.828  -4.565
  523    H    PHE  27           H        PHE  27  -8.402  15.630  -0.055
  524    HA   PHE  27           HA       PHE  27  -6.764  13.266  -0.599
  525    HB2  PHE  27           HB2      PHE  27  -5.515  13.795   1.558
  526    HB3  PHE  27           HB3      PHE  27  -5.130  14.781   0.156
  527    HD1  PHE  27           HD1      PHE  27  -7.458  14.808   3.080
  528    HD2  PHE  27           HD2      PHE  27  -4.927  17.022   0.463
  529    HE1  PHE  27           HE1      PHE  27  -7.880  16.840   4.404
  530    HE2  PHE  27           HE2      PHE  27  -5.356  19.063   1.782
  531    HZ   PHE  27           HZ       PHE  27  -6.829  18.971   3.754
  532    H    LYS  28           H        LYS  28  -9.651  13.975   0.199
  533    HA   LYS  28           HA       LYS  28  -9.780  12.146   2.511
  534    HB2  LYS  28           HB2      LYS  28 -10.241  14.714   2.869
  535    HB3  LYS  28           HB3      LYS  28 -11.783  14.350   2.111
  536    HG2  LYS  28           HG2      LYS  28 -12.203  14.218   4.390
  537    HG3  LYS  28           HG3      LYS  28 -12.022  12.534   3.886
  538    HD2  LYS  28           HD2      LYS  28 -10.797  12.933   5.947
  539    HD3  LYS  28           HD3      LYS  28  -9.691  12.577   4.610
  540    HE2  LYS  28           HE2      LYS  28  -8.975  14.468   6.101
  541    HE3  LYS  28           HE3      LYS  28  -9.082  14.862   4.389
  542    HZ1  LYS  28           HZ1      LYS  28 -10.029  16.578   5.873
  543    HZ2  LYS  28           HZ2      LYS  28 -11.214  15.471   6.373
  544    HZ3  LYS  28           HZ3      LYS  28 -11.151  15.979   4.756
  545    H    LEU  29           H        LEU  29 -10.850  10.373   1.990
  546    HA   LEU  29           HA       LEU  29 -12.993  10.589  -0.017
  547    HB2  LEU  29           HB2      LEU  29 -11.338   8.186   0.754
  548    HB3  LEU  29           HB3      LEU  29 -12.714   8.130  -0.327
  549    HG   LEU  29           HG       LEU  29 -11.323   9.933  -1.662
  550   HD11  LEU  29          HD11      LEU  29  -9.203   8.422  -0.141
  551   HD12  LEU  29          HD12      LEU  29  -8.908   9.432  -1.556
  552   HD13  LEU  29          HD13      LEU  29  -9.521  10.155  -0.068
  553   HD21  LEU  29          HD21      LEU  29 -10.385   8.116  -2.999
  554   HD22  LEU  29          HD22      LEU  29 -10.710   6.983  -1.688
  555   HD23  LEU  29          HD23      LEU  29 -12.049   7.776  -2.519
  556    H    ASN  30           H        ASN  30 -14.915  10.711   0.928
  557    HA   ASN  30           HA       ASN  30 -15.470   9.305   3.397
  558    HB2  ASN  30           HB2      ASN  30 -17.659  10.289   3.309
  559    HB3  ASN  30           HB3      ASN  30 -16.514  11.537   2.830
  560   HD21  ASN  30          HD21      ASN  30 -16.497  12.266   0.721
  561   HD22  ASN  30          HD22      ASN  30 -17.771  11.900  -0.402
  562    H    LYS  31           H        LYS  31 -17.912   8.245   3.127
  563    HA   LYS  31           HA       LYS  31 -17.659   5.719   2.185
  564    HB2  LYS  31           HB2      LYS  31 -20.196   7.348   1.999
  565    HB3  LYS  31           HB3      LYS  31 -20.096   5.597   1.999
  566    HG2  LYS  31           HG2      LYS  31 -19.264   5.628   4.285
  567    HG3  LYS  31           HG3      LYS  31 -19.324   7.396   4.283
  568    HD2  LYS  31           HD2      LYS  31 -21.737   7.315   3.883
  569    HD3  LYS  31           HD3      LYS  31 -21.679   5.553   3.880
  570    HE2  LYS  31           HE2      LYS  31 -20.874   7.276   6.218
  571    HE3  LYS  31           HE3      LYS  31 -22.472   6.558   6.021
  572    HZ1  LYS  31           HZ1      LYS  31 -21.424   4.365   6.001
  573    HZ2  LYS  31           HZ2      LYS  31 -21.108   5.198   7.446
  574    HZ3  LYS  31           HZ3      LYS  31 -19.910   5.080   6.256
  575    H    SER  32           H        SER  32 -18.988   8.429   0.291
  576    HA   SER  32           HA       SER  32 -19.651   6.805  -1.942
  577    HB2  SER  32           HB2      SER  32 -20.793   8.943  -1.366
  578    HB3  SER  32           HB3      SER  32 -19.336   9.812  -1.845
  579    HG   SER  32           HG       SER  32 -19.740   9.424  -3.903
  580    H    GLU  33           H        GLU  33 -16.847   8.808  -1.161
  581    HA   GLU  33           HA       GLU  33 -15.843   8.890  -3.824
  582    HB2  GLU  33           HB2      GLU  33 -14.210   9.240  -1.307
  583    HB3  GLU  33           HB3      GLU  33 -13.896   9.919  -2.902
  584    HG2  GLU  33           HG2      GLU  33 -16.000  10.726  -0.922
  585    HG3  GLU  33           HG3      GLU  33 -14.672  11.688  -1.559
  586    H    LEU  34           H        LEU  34 -15.146   6.992  -0.943
  587    HA   LEU  34           HA       LEU  34 -13.157   5.355  -2.087
  588    HB2  LEU  34           HB2      LEU  34 -14.925   5.195   0.302
  589    HB3  LEU  34           HB3      LEU  34 -14.082   3.746  -0.212
  590    HG   LEU  34           HG       LEU  34 -12.700   6.353   0.381
  591   HD11  LEU  34          HD11      LEU  34 -12.005   5.250   2.475
  592   HD12  LEU  34          HD12      LEU  34 -13.739   5.568   2.393
  593   HD13  LEU  34          HD13      LEU  34 -13.128   3.934   2.120
  594   HD21  LEU  34          HD21      LEU  34 -11.478   4.933  -1.119
  595   HD22  LEU  34          HD22      LEU  34 -10.710   4.889   0.471
  596   HD23  LEU  34          HD23      LEU  34 -11.721   3.542  -0.061
  597    H    LYS  35           H        LYS  35 -16.666   4.945  -1.724
  598    HA   LYS  35           HA       LYS  35 -16.795   2.347  -2.720
  599    HB2  LYS  35           HB2      LYS  35 -18.688   3.470  -1.595
  600    HB3  LYS  35           HB3      LYS  35 -18.898   4.501  -3.006
  601    HG2  LYS  35           HG2      LYS  35 -19.657   2.748  -4.333
  602    HG3  LYS  35           HG3      LYS  35 -18.993   1.519  -3.256
  603    HD2  LYS  35           HD2      LYS  35 -21.371   1.545  -2.984
  604    HD3  LYS  35           HD3      LYS  35 -20.652   2.242  -1.531
  605    HE2  LYS  35           HE2      LYS  35 -21.058   4.495  -2.487
  606    HE3  LYS  35           HE3      LYS  35 -21.884   3.713  -3.835
  607    HZ1  LYS  35           HZ1      LYS  35 -23.422   4.507  -2.128
  608    HZ2  LYS  35           HZ2      LYS  35 -22.696   3.478  -0.989
  609    HZ3  LYS  35           HZ3      LYS  35 -23.511   2.825  -2.328
  610    H    GLU  36           H        GLU  36 -17.156   5.424  -4.483
  611    HA   GLU  36           HA       GLU  36 -17.557   4.252  -6.998
  612    HB2  GLU  36           HB2      GLU  36 -17.733   6.742  -6.220
  613    HB3  GLU  36           HB3      GLU  36 -16.046   6.817  -6.711
  614    HG2  GLU  36           HG2      GLU  36 -16.729   5.962  -8.945
  615    HG3  GLU  36           HG3      GLU  36 -18.407   6.111  -8.424
  616    H    LEU  37           H        LEU  37 -14.602   5.300  -5.363
  617    HA   LEU  37           HA       LEU  37 -12.690   4.694  -7.270
  618    HB2  LEU  37           HB2      LEU  37 -12.377   5.791  -5.028
  619    HB3  LEU  37           HB3      LEU  37 -12.460   4.195  -4.309
  620    HG   LEU  37           HG       LEU  37 -10.459   4.317  -6.407
  621   HD11  LEU  37          HD11      LEU  37 -10.204   6.195  -4.062
  622   HD12  LEU  37          HD12      LEU  37  -8.896   5.754  -5.161
  623   HD13  LEU  37          HD13      LEU  37 -10.292   6.645  -5.765
  624   HD21  LEU  37          HD21      LEU  37 -10.631   2.540  -4.736
  625   HD22  LEU  37          HD22      LEU  37  -9.074   3.363  -4.635
  626   HD23  LEU  37          HD23      LEU  37 -10.337   3.715  -3.453
  627    H    LEU  38           H        LEU  38 -13.996   2.567  -4.756
  628    HA   LEU  38           HA       LEU  38 -12.596   0.277  -5.633
  629    HB2  LEU  38           HB2      LEU  38 -14.899   0.754  -3.789
  630    HB3  LEU  38           HB3      LEU  38 -14.482  -0.886  -4.248
  631    HG   LEU  38           HG       LEU  38 -12.093   0.445  -3.428
  632   HD11  LEU  38          HD11      LEU  38 -14.362   0.643  -1.458
  633   HD12  LEU  38          HD12      LEU  38 -12.656   0.894  -1.085
  634   HD13  LEU  38          HD13      LEU  38 -13.487   1.989  -2.189
  635   HD21  LEU  38          HD21      LEU  38 -12.453  -1.955  -3.375
  636   HD22  LEU  38          HD22      LEU  38 -12.058  -1.356  -1.762
  637   HD23  LEU  38          HD23      LEU  38 -13.727  -1.753  -2.172
  638    H    THR  39           H        THR  39 -15.891   1.424  -6.284
  639    HA   THR  39           HA       THR  39 -16.797  -0.862  -7.649
  640    HB   THR  39           HB       THR  39 -18.473   0.605  -8.747
  641    HG1  THR  39           HG1      THR  39 -16.691   2.546  -7.952
  642   HG21  THR  39          HG21      THR  39 -18.884  -0.257  -6.485
  643   HG22  THR  39          HG22      THR  39 -19.621   1.327  -6.732
  644   HG23  THR  39          HG23      THR  39 -18.124   1.185  -5.810
  645    H    ARG  40           H        ARG  40 -14.805   1.781  -8.656
  646    HA   ARG  40           HA       ARG  40 -15.047   1.153 -11.466
  647    HB2  ARG  40           HB2      ARG  40 -13.443   3.192  -9.929
  648    HB3  ARG  40           HB3      ARG  40 -13.311   2.992 -11.671
  649    HG2  ARG  40           HG2      ARG  40 -15.832   3.699 -10.180
  650    HG3  ARG  40           HG3      ARG  40 -14.805   4.830 -11.065
  651    HD2  ARG  40           HD2      ARG  40 -16.271   2.470 -12.233
  652    HD3  ARG  40           HD3      ARG  40 -16.733   4.165 -12.402
  653    HE   ARG  40           HE       ARG  40 -14.526   4.447 -13.568
  654   HH11  ARG  40          HH12      ARG  40 -16.193   1.357 -13.524
  655   HH12  ARG  40          HH11      ARG  40 -15.440   0.788 -14.988
  656   HH21  ARG  40          HH22      ARG  40 -13.540   3.698 -15.495
  657   HH22  ARG  40          HH21      ARG  40 -13.949   2.124 -16.118
  658    H    GLU  41           H        GLU  41 -12.317   1.358  -9.170
  659    HA   GLU  41           HA       GLU  41 -10.788  -0.239 -11.083
  660    HB2  GLU  41           HB2      GLU  41 -10.051   1.858  -9.107
  661    HB3  GLU  41           HB3      GLU  41  -8.839   0.685  -9.618
  662    HG2  GLU  41           HG2      GLU  41  -8.941   1.357 -11.829
  663    HG3  GLU  41           HG3      GLU  41 -10.475   2.190 -11.614
  664    H    LEU  42           H        LEU  42 -12.300  -0.690  -8.091
  665    HA   LEU  42           HA       LEU  42 -10.544  -3.021  -7.635
  666    HB2  LEU  42           HB2      LEU  42 -11.973  -1.450  -5.490
  667    HB3  LEU  42           HB3      LEU  42 -10.967  -2.861  -5.237
  668    HG   LEU  42           HG       LEU  42  -9.085  -1.412  -6.284
  669   HD11  LEU  42          HD11      LEU  42 -10.470   0.429  -7.045
  670   HD12  LEU  42          HD12      LEU  42 -11.042   0.724  -5.400
  671   HD13  LEU  42          HD13      LEU  42  -9.338   0.985  -5.804
  672   HD21  LEU  42          HD21      LEU  42  -9.135  -2.204  -3.983
  673   HD22  LEU  42          HD22      LEU  42  -8.537  -0.546  -4.066
  674   HD23  LEU  42          HD23      LEU  42 -10.188  -0.864  -3.534
  675    HA   PRO  43           HA       PRO  43 -15.232  -3.925  -7.734
  676    HB2  PRO  43           HB2      PRO  43 -15.642  -4.939 -10.188
  677    HB3  PRO  43           HB3      PRO  43 -15.683  -3.200  -9.876
  678    HG2  PRO  43           HG2      PRO  43 -13.510  -4.863 -11.069
  679    HG3  PRO  43           HG3      PRO  43 -14.064  -3.243 -11.528
  680    HD2  PRO  43           HD2      PRO  43 -11.838  -3.747  -9.993
  681    HD3  PRO  43           HD3      PRO  43 -12.746  -2.225  -9.963
  682    H    SER  44           H        SER  44 -12.430  -5.658  -8.763
  683    HA   SER  44           HA       SER  44 -13.510  -8.274  -8.511
  684    HB2  SER  44           HB2      SER  44 -10.957  -8.805  -8.278
  685    HB3  SER  44           HB3      SER  44 -11.574  -8.185  -9.810
  686    HG   SER  44           HG       SER  44 -10.343  -6.504  -9.573
  687    H    PHE  45           H        PHE  45 -12.446  -5.856  -6.328
  688    HA   PHE  45           HA       PHE  45 -12.382  -7.738  -4.078
  689    HB2  PHE  45           HB2      PHE  45 -11.727  -4.784  -4.156
  690    HB3  PHE  45           HB3      PHE  45 -11.489  -5.866  -2.785
  691    HD1  PHE  45           HD1      PHE  45  -9.926  -7.876  -3.154
  692    HD2  PHE  45           HD2      PHE  45 -10.026  -4.465  -5.696
  693    HE1  PHE  45           HE1      PHE  45  -7.677  -8.434  -3.986
  694    HE2  PHE  45           HE2      PHE  45  -7.778  -5.014  -6.529
  695    HZ   PHE  45           HZ       PHE  45  -6.603  -7.002  -5.675
  696    H    LEU  46           H        LEU  46 -14.715  -6.342  -5.748
  697    HA   LEU  46           HA       LEU  46 -16.325  -5.770  -3.344
  698    HB2  LEU  46           HB2      LEU  46 -16.809  -4.668  -6.102
  699    HB3  LEU  46           HB3      LEU  46 -17.720  -4.296  -4.644
  700    HG   LEU  46           HG       LEU  46 -14.883  -3.485  -5.281
  701   HD11  LEU  46          HD11      LEU  46 -17.434  -1.954  -4.851
  702   HD12  LEU  46          HD12      LEU  46 -15.843  -1.244  -5.132
  703   HD13  LEU  46          HD13      LEU  46 -16.612  -2.210  -6.389
  704   HD21  LEU  46          HD21      LEU  46 -14.937  -2.291  -3.132
  705   HD22  LEU  46          HD22      LEU  46 -16.477  -3.059  -2.752
  706   HD23  LEU  46          HD23      LEU  46 -15.018  -4.040  -2.914
  707    H    GLY  47           H        GLY  47 -15.874  -7.837  -5.942
  708    HA2  GLY  47           HA2      GLY  47 -17.085  -9.588  -6.793
  709    HA3  GLY  47           HA3      GLY  47 -18.041  -9.498  -5.325
  710    H    LYS  48           H        LYS  48 -17.966  -6.649  -7.171
  711    HA   LYS  48           HA       LYS  48 -19.420  -5.540  -8.484
  712    HB2  LYS  48           HB2      LYS  48 -19.958  -8.342  -9.287
  713    HB3  LYS  48           HB3      LYS  48 -21.117  -7.116  -9.776
  714    HG2  LYS  48           HG2      LYS  48 -19.434  -7.509 -11.495
  715    HG3  LYS  48           HG3      LYS  48 -19.358  -5.860 -10.872
  716    HD2  LYS  48           HD2      LYS  48 -17.470  -6.446  -9.472
  717    HD3  LYS  48           HD3      LYS  48 -17.571  -8.120 -10.004
  718    HE2  LYS  48           HE2      LYS  48 -16.892  -5.714 -11.688
  719    HE3  LYS  48           HE3      LYS  48 -15.795  -7.003 -11.196
  720    HZ1  LYS  48           HZ1      LYS  48 -16.394  -7.487 -13.388
  721    HZ2  LYS  48           HZ2      LYS  48 -18.031  -7.138 -13.127
  722    HZ3  LYS  48           HZ3      LYS  48 -17.345  -8.539 -12.452
  723    H    ARG  49           H        ARG  49 -20.201  -6.821  -5.729
  724    HA   ARG  49           HA       ARG  49 -22.939  -5.786  -5.808
  725    HB2  ARG  49           HB2      ARG  49 -23.656  -7.588  -4.276
  726    HB3  ARG  49           HB3      ARG  49 -23.126  -8.184  -5.843
  727    HG2  ARG  49           HG2      ARG  49 -21.020  -8.896  -4.920
  728    HG3  ARG  49           HG3      ARG  49 -21.438  -8.200  -3.353
  729    HD2  ARG  49           HD2      ARG  49 -21.795 -10.589  -3.312
  730    HD3  ARG  49           HD3      ARG  49 -23.342  -9.750  -3.199
  731    HE   ARG  49           HE       ARG  49 -22.622 -10.478  -5.890
  732   HH11  ARG  49          HH12      ARG  49 -24.180 -11.542  -2.935
  733   HH12  ARG  49          HH11      ARG  49 -25.119 -12.773  -3.725
  734   HH21  ARG  49          HH22      ARG  49 -23.857 -12.101  -6.927
  735   HH22  ARG  49          HH21      ARG  49 -24.939 -13.086  -5.987
  736    H    THR  50           H        THR  50 -21.439  -3.948  -5.063
  737    HA   THR  50           HA       THR  50 -21.090  -4.160  -2.157
  738    HB   THR  50           HB       THR  50 -19.686  -1.943  -2.741
  739    HG1  THR  50           HG1      THR  50 -18.424  -2.965  -4.676
  740   HG21  THR  50          HG21      THR  50 -18.958  -3.853  -1.397
  741   HG22  THR  50          HG22      THR  50 -17.710  -3.392  -2.555
  742   HG23  THR  50          HG23      THR  50 -18.718  -4.806  -2.861
  743    H    ASP  51           H        ASP  51 -22.785  -3.406  -1.219
  744    HA   ASP  51           HA       ASP  51 -23.494  -0.597  -1.769
  745    HB2  ASP  51           HB2      ASP  51 -25.375  -2.306  -1.764
  746    HB3  ASP  51           HB3      ASP  51 -25.034  -2.578  -0.061
  747    H    GLU  52           H        GLU  52 -24.460  -0.075   0.883
  748    HA   GLU  52           HA       GLU  52 -21.966   0.528   2.124
  749    HB2  GLU  52           HB2      GLU  52 -24.785   0.789   3.175
  750    HB3  GLU  52           HB3      GLU  52 -23.356   1.509   3.906
  751    HG2  GLU  52           HG2      GLU  52 -24.420   2.118   1.159
  752    HG3  GLU  52           HG3      GLU  52 -24.614   3.130   2.592
  753    H    ALA  53           H        ALA  53 -23.739  -2.279   2.052
  754    HA   ALA  53           HA       ALA  53 -23.399  -3.118   4.771
  755    HB1  ALA  53           HB1      ALA  53 -24.204  -5.277   4.009
  756    HB2  ALA  53           HB2      ALA  53 -25.208  -3.985   3.353
  757    HB3  ALA  53           HB3      ALA  53 -24.012  -4.776   2.328
  758    H    ALA  54           H        ALA  54 -21.559  -3.452   1.796
  759    HA   ALA  54           HA       ALA  54 -19.588  -5.185   3.085
  760    HB1  ALA  54           HB1      ALA  54 -18.420  -5.095   0.916
  761    HB2  ALA  54           HB2      ALA  54 -20.094  -5.642   0.761
  762    HB3  ALA  54           HB3      ALA  54 -19.659  -3.991   0.310
  763    H    PHE  55           H        PHE  55 -20.203  -1.861   2.519
  764    HA   PHE  55           HA       PHE  55 -17.410  -1.083   2.584
  765    HB2  PHE  55           HB2      PHE  55 -19.962   0.265   1.898
  766    HB3  PHE  55           HB3      PHE  55 -18.637   1.274   2.473
  767    HD1  PHE  55           HD1      PHE  55 -19.697  -1.066  -0.156
  768    HD2  PHE  55           HD2      PHE  55 -16.726   1.671   1.159
  769    HE1  PHE  55           HE1      PHE  55 -18.663  -1.128  -2.385
  770    HE2  PHE  55           HE2      PHE  55 -15.685   1.617  -1.067
  771    HZ   PHE  55           HZ       PHE  55 -16.653   0.213  -2.845
  772    H    GLN  56           H        GLN  56 -19.966  -1.363   4.859
  773    HA   GLN  56           HA       GLN  56 -19.422   0.856   6.480
  774    HB2  GLN  56           HB2      GLN  56 -21.460  -0.608   6.624
  775    HB3  GLN  56           HB3      GLN  56 -20.464  -1.807   7.444
  776    HG2  GLN  56           HG2      GLN  56 -20.059  -0.343   9.275
  777    HG3  GLN  56           HG3      GLN  56 -20.815   1.008   8.432
  778   HE21  GLN  56          HE21      GLN  56 -22.103  -2.234   8.406
  779   HE22  GLN  56          HE22      GLN  56 -23.509  -1.886   9.354
  780    H    LYS  57           H        LYS  57 -18.133  -2.460   6.625
  781    HA   LYS  57           HA       LYS  57 -16.494  -1.873   8.898
  782    HB2  LYS  57           HB2      LYS  57 -17.014  -4.204   7.188
  783    HB3  LYS  57           HB3      LYS  57 -15.369  -4.107   7.790
  784    HG2  LYS  57           HG2      LYS  57 -17.678  -3.820   9.664
  785    HG3  LYS  57           HG3      LYS  57 -17.146  -5.414   9.133
  786    HD2  LYS  57           HD2      LYS  57 -16.000  -5.048  11.149
  787    HD3  LYS  57           HD3      LYS  57 -14.810  -4.701   9.897
  788    HE2  LYS  57           HE2      LYS  57 -15.232  -2.311  10.156
  789    HE3  LYS  57           HE3      LYS  57 -16.442  -2.649  11.392
  790    HZ1  LYS  57           HZ1      LYS  57 -14.576  -3.785  12.636
  791    HZ2  LYS  57           HZ2      LYS  57 -14.489  -2.096  12.530
  792    HZ3  LYS  57           HZ3      LYS  57 -13.510  -3.058  11.532
  793    H    LEU  58           H        LEU  58 -16.061  -2.000   5.427
  794    HA   LEU  58           HA       LEU  58 -13.308  -1.730   5.226
  795    HB2  LEU  58           HB2      LEU  58 -14.660  -2.084   3.273
  796    HB3  LEU  58           HB3      LEU  58 -15.524  -0.581   3.534
  797    HG   LEU  58           HG       LEU  58 -13.564   0.710   2.973
  798   HD11  LEU  58          HD11      LEU  58 -11.878  -0.753   3.931
  799   HD12  LEU  58          HD12      LEU  58 -12.164  -1.942   2.664
  800   HD13  LEU  58          HD13      LEU  58 -11.490  -0.365   2.254
  801   HD21  LEU  58          HD21      LEU  58 -13.182  -0.222   0.612
  802   HD22  LEU  58          HD22      LEU  58 -14.353  -1.460   1.058
  803   HD23  LEU  58          HD23      LEU  58 -14.822   0.239   1.068
  804    H    MET  59           H        MET  59 -15.572   0.950   4.842
  805    HA   MET  59           HA       MET  59 -14.113   3.145   5.227
  806    HB2  MET  59           HB2      MET  59 -16.685   2.778   5.016
  807    HB3  MET  59           HB3      MET  59 -16.667   2.850   6.774
  808    HG2  MET  59           HG2      MET  59 -17.176   5.015   5.930
  809    HG3  MET  59           HG3      MET  59 -15.547   5.052   6.613
  810    HE1  MET  59           HE1      MET  59 -15.625   7.514   4.939
  811    HE2  MET  59           HE2      MET  59 -14.263   6.658   5.675
  812    HE3  MET  59           HE3      MET  59 -14.170   7.181   3.992
  813    H    SER  60           H        SER  60 -15.372   1.134   7.861
  814    HA   SER  60           HA       SER  60 -14.488   2.824   9.955
  815    HB2  SER  60           HB2      SER  60 -16.333   1.070  10.010
  816    HB3  SER  60           HB3      SER  60 -15.032  -0.116  10.159
  817    HG   SER  60           HG       SER  60 -15.154   2.098  11.903
  818    H    ASN  61           H        ASN  61 -13.177  -0.182   8.579
  819    HA   ASN  61           HA       ASN  61 -11.066  -0.451  10.457
  820    HB2  ASN  61           HB2      ASN  61 -11.498  -1.598   7.699
  821    HB3  ASN  61           HB3      ASN  61 -10.083  -1.981   8.673
  822   HD21  ASN  61          HD21      ASN  61 -12.152  -3.746   7.702
  823   HD22  ASN  61          HD22      ASN  61 -12.836  -4.493   9.111
  824    H    LEU  62           H        LEU  62 -11.470   1.218   7.471
  825    HA   LEU  62           HA       LEU  62  -8.727   1.989   7.115
  826    HB2  LEU  62           HB2      LEU  62 -11.340   2.700   5.928
  827    HB3  LEU  62           HB3      LEU  62 -10.118   3.954   5.869
  828    HG   LEU  62           HG       LEU  62  -8.633   2.511   4.618
  829   HD11  LEU  62          HD11      LEU  62  -9.238   0.382   5.631
  830   HD12  LEU  62          HD12      LEU  62 -10.811   0.446   4.839
  831   HD13  LEU  62          HD13      LEU  62  -9.344   0.302   3.871
  832   HD21  LEU  62          HD21      LEU  62 -11.432   2.525   3.504
  833   HD22  LEU  62          HD22      LEU  62 -10.261   3.839   3.390
  834   HD23  LEU  62          HD23      LEU  62  -9.951   2.309   2.570
  835    H    ASP  63           H        ASP  63 -11.607   3.511   8.386
  836    HA   ASP  63           HA       ASP  63 -10.472   5.967   9.133
  837    HB2  ASP  63           HB2      ASP  63 -12.849   5.680   8.781
  838    HB3  ASP  63           HB3      ASP  63 -12.937   4.500  10.082
  839    H    SER  64           H        SER  64  -8.548   5.440  10.192
  840    HA   SER  64           HA       SER  64  -8.563   3.758  12.534
  841    HB2  SER  64           HB2      SER  64  -6.160   4.035  12.482
  842    HB3  SER  64           HB3      SER  64  -6.716   3.797  10.828
  843    HG   SER  64           HG       SER  64  -6.705   6.166  10.674
  844    H    ASN  65           H        ASN  65  -8.734   7.106  11.778
  845    HA   ASN  65           HA       ASN  65  -8.040   7.954  14.475
  846    HB2  ASN  65           HB2      ASN  65  -8.079  10.174  13.648
  847    HB3  ASN  65           HB3      ASN  65  -7.370   9.212  12.359
  848   HD21  ASN  65          HD21      ASN  65  -8.721   8.653  10.538
  849   HD22  ASN  65          HD22      ASN  65 -10.053   9.683  10.119
  850    H    ARG  66           H        ARG  66 -10.738   6.911  12.810
  851    HA   ARG  66           HA       ARG  66 -12.891   6.599  13.390
  852    HB2  ARG  66           HB2      ARG  66 -12.122   7.749  16.074
  853    HB3  ARG  66           HB3      ARG  66 -13.602   6.873  15.711
  854    HG2  ARG  66           HG2      ARG  66 -10.796   5.781  15.710
  855    HG3  ARG  66           HG3      ARG  66 -12.088   5.411  16.852
  856    HD2  ARG  66           HD2      ARG  66 -13.389   4.522  14.850
  857    HD3  ARG  66           HD3      ARG  66 -11.870   4.617  13.957
  858    HE   ARG  66           HE       ARG  66 -12.412   2.879  16.274
  859   HH11  ARG  66          HH12      ARG  66 -10.496   3.655  13.439
  860   HH12  ARG  66          HH11      ARG  66  -9.469   2.256  13.597
  861   HH21  ARG  66          HH22      ARG  66 -11.102   1.014  16.445
  862   HH22  ARG  66          HH21      ARG  66  -9.831   0.757  15.284
  863    H    ASP  67           H        ASP  67 -12.794   8.521  11.772
  864    HA   ASP  67           HA       ASP  67 -14.595  10.579  12.884
  865    HB2  ASP  67           HB2      ASP  67 -12.242  11.426  12.396
  866    HB3  ASP  67           HB3      ASP  67 -12.588  11.130  10.695
  867    H    ASN  68           H        ASN  68 -14.126   8.101  10.743
  868    HA   ASN  68           HA       ASN  68 -15.225   7.237   8.977
  869    HB2  ASN  68           HB2      ASN  68 -17.296   9.041  10.129
  870    HB3  ASN  68           HB3      ASN  68 -17.603   8.307   8.569
  871   HD21  ASN  68          HD21      ASN  68 -17.433   7.862  11.898
  872   HD22  ASN  68          HD22      ASN  68 -17.882   6.186  11.949
  873    H    GLU  69           H        GLU  69 -13.443   9.474   8.607
  874    HA   GLU  69           HA       GLU  69 -14.145   9.924   5.811
  875    HB2  GLU  69           HB2      GLU  69 -13.329  12.055   7.771
  876    HB3  GLU  69           HB3      GLU  69 -12.892  12.199   6.076
  877    HG2  GLU  69           HG2      GLU  69 -15.342  11.949   5.545
  878    HG3  GLU  69           HG3      GLU  69 -15.645  12.118   7.273
  879    H    VAL  70           H        VAL  70 -12.594   8.962   4.682
  880    HA   VAL  70           HA       VAL  70 -10.158   8.207   5.999
  881    HB   VAL  70           HB       VAL  70 -11.154   7.693   3.205
  882   HG11  VAL  70          HG11      VAL  70  -8.724   7.780   3.148
  883   HG12  VAL  70          HG12      VAL  70  -8.645   6.658   4.507
  884   HG13  VAL  70          HG13      VAL  70  -9.296   6.122   2.958
  885   HG21  VAL  70          HG21      VAL  70 -11.370   5.392   4.025
  886   HG22  VAL  70          HG22      VAL  70 -10.820   5.917   5.615
  887   HG23  VAL  70          HG23      VAL  70 -12.347   6.518   4.967
  888    H    ASP  71           H        ASP  71  -8.912   9.930   6.374
  889    HA   ASP  71           HA       ASP  71  -7.998  11.726   4.352
  890    HB2  ASP  71           HB2      ASP  71  -7.826  12.188   6.805
  891    HB3  ASP  71           HB3      ASP  71  -6.654  10.879   6.942
  892    H    PHE  72           H        PHE  72  -5.521  11.632   3.756
  893    HA   PHE  72           HA       PHE  72  -5.158   9.381   2.178
  894    HB2  PHE  72           HB2      PHE  72  -3.922  11.552   1.917
  895    HB3  PHE  72           HB3      PHE  72  -2.871  11.033   3.243
  896    HD1  PHE  72           HD1      PHE  72  -3.851  10.460  -0.205
  897    HD2  PHE  72           HD2      PHE  72  -1.386   9.141   2.987
  898    HE1  PHE  72           HE1      PHE  72  -2.616   9.045  -1.765
  899    HE2  PHE  72           HE2      PHE  72  -0.133   7.725   1.430
  900    HZ   PHE  72           HZ       PHE  72  -0.711   7.688  -0.930
  901    H    GLN  73           H        GLN  73  -3.971  10.016   5.422
  902    HA   GLN  73           HA       GLN  73  -2.277   7.906   5.850
  903    HB2  GLN  73           HB2      GLN  73  -4.296   9.030   7.798
  904    HB3  GLN  73           HB3      GLN  73  -2.909   8.043   8.231
  905    HG2  GLN  73           HG2      GLN  73  -2.866  10.802   7.038
  906    HG3  GLN  73           HG3      GLN  73  -2.427  10.343   8.683
  907   HE21  GLN  73          HE21      GLN  73  -0.505   9.189   9.027
  908   HE22  GLN  73          HE22      GLN  73   0.763   9.173   7.851
  909    H    GLU  74           H        GLU  74  -5.819   7.937   6.190
  910    HA   GLU  74           HA       GLU  74  -5.954   5.235   7.118
  911    HB2  GLU  74           HB2      GLU  74  -8.324   6.484   5.827
  912    HB3  GLU  74           HB3      GLU  74  -8.214   5.588   7.332
  913    HG2  GLU  74           HG2      GLU  74  -7.300   8.426   6.950
  914    HG3  GLU  74           HG3      GLU  74  -8.854   7.954   7.622
  915    H    TYR  75           H        TYR  75  -5.407   6.662   4.154
  916    HA   TYR  75           HA       TYR  75  -6.875   4.735   2.556
  917    HB2  TYR  75           HB2      TYR  75  -6.776   7.193   2.021
  918    HB3  TYR  75           HB3      TYR  75  -5.077   6.974   1.622
  919    HD1  TYR  75           HD2      TYR  75  -4.500   5.311  -0.215
  920    HD2  TYR  75           HD1      TYR  75  -8.437   6.813   0.433
  921    HE1  TYR  75           HE2      TYR  75  -5.111   4.637  -2.500
  922    HE2  TYR  75           HE1      TYR  75  -9.057   6.130  -1.865
  923    HH   TYR  75           HH       TYR  75  -7.938   5.675  -4.017
  924    H    CYS  76           H        CYS  76  -3.489   5.548   3.298
  925    HA   CYS  76           HA       CYS  76  -2.211   3.908   1.430
  926    HB2  CYS  76           HB2      CYS  76  -1.018   3.884   4.114
  927    HB3  CYS  76           HB3      CYS  76  -0.311   4.349   2.574
  928    HG   CYS  76           HG       CYS  76  -0.230   6.464   4.433
  929    H    VAL  77           H        VAL  77  -3.479   3.164   4.595
  930    HA   VAL  77           HA       VAL  77  -2.536   0.464   4.534
  931    HB   VAL  77           HB       VAL  77  -3.787   0.242   6.664
  932   HG11  VAL  77          HG11      VAL  77  -1.968   2.632   6.385
  933   HG12  VAL  77          HG12      VAL  77  -2.347   1.811   7.898
  934   HG13  VAL  77          HG13      VAL  77  -1.471   0.956   6.631
  935   HG21  VAL  77          HG21      VAL  77  -5.610   1.807   6.200
  936   HG22  VAL  77          HG22      VAL  77  -4.756   2.258   7.675
  937   HG23  VAL  77          HG23      VAL  77  -4.464   3.148   6.180
  938    H    PHE  78           H        PHE  78  -5.414   2.114   3.547
  939    HA   PHE  78           HA       PHE  78  -7.253   0.057   3.404
  940    HB2  PHE  78           HB2      PHE  78  -7.922   2.265   2.747
  941    HB3  PHE  78           HB3      PHE  78  -6.655   2.362   1.534
  942    HD1  PHE  78           HD2      PHE  78  -9.354  -0.150   2.197
  943    HD2  PHE  78           HD1      PHE  78  -7.508   2.558  -0.510
  944    HE1  PHE  78           HE2      PHE  78 -10.917  -0.860   0.432
  945    HE2  PHE  78           HE1      PHE  78  -9.053   1.867  -2.278
  946    HZ   PHE  78           HZ       PHE  78 -10.769   0.156  -1.812
  947    H    LEU  79           H        LEU  79  -4.952   1.066   0.908
  948    HA   LEU  79           HA       LEU  79  -5.524  -1.177  -0.727
  949    HB2  LEU  79           HB2      LEU  79  -3.408   0.946  -0.840
  950    HB3  LEU  79           HB3      LEU  79  -3.571  -0.311  -2.056
  951    HG   LEU  79           HG       LEU  79  -5.612   1.783  -1.344
  952   HD11  LEU  79          HD11      LEU  79  -5.308   2.465  -3.680
  953   HD12  LEU  79          HD12      LEU  79  -3.816   2.604  -2.749
  954   HD13  LEU  79          HD13      LEU  79  -4.038   1.253  -3.859
  955   HD21  LEU  79          HD21      LEU  79  -7.023   0.740  -3.024
  956   HD22  LEU  79          HD22      LEU  79  -5.806  -0.512  -3.287
  957   HD23  LEU  79          HD23      LEU  79  -6.640  -0.408  -1.736
  958    H    SER  80           H        SER  80  -2.734  -0.361   1.310
  959    HA   SER  80           HA       SER  80  -1.128  -2.462   0.389
  960    HB2  SER  80           HB2      SER  80  -1.082  -1.149   3.104
  961    HB3  SER  80           HB3      SER  80   0.248  -2.018   2.329
  962    HG   SER  80           HG       SER  80  -0.894   0.470   1.655
  963    H    CYS  81           H        CYS  81  -3.669  -2.375   2.765
  964    HA   CYS  81           HA       CYS  81  -3.086  -5.023   3.717
  965    HB2  CYS  81           HB2      CYS  81  -5.318  -3.087   4.219
  966    HB3  CYS  81           HB3      CYS  81  -5.306  -4.717   4.905
  967    HG   CYS  81           HG       CYS  81  -3.118  -2.169   5.511
  968    H    ILE  82           H        ILE  82  -4.826  -3.690   1.064
  969    HA   ILE  82           HA       ILE  82  -6.453  -6.058   0.698
  970    HB   ILE  82           HB       ILE  82  -5.890  -4.059  -1.492
  971   HG12  ILE  82          HG12      ILE  82  -7.980  -3.850   0.686
  972   HG13  ILE  82          HG13      ILE  82  -6.605  -2.770   0.467
  973   HG21  ILE  82          HG21      ILE  82  -8.385  -5.631  -0.864
  974   HG22  ILE  82          HG22      ILE  82  -7.993  -4.770  -2.354
  975   HG23  ILE  82          HG23      ILE  82  -7.102  -6.233  -1.922
  976   HD11  ILE  82          HD11      ILE  82  -8.658  -1.778  -0.362
  977   HD12  ILE  82          HD12      ILE  82  -7.506  -2.046  -1.673
  978   HD13  ILE  82          HD13      ILE  82  -8.878  -3.135  -1.466
  979    H    ALA  83           H        ALA  83  -3.247  -4.923  -0.191
  980    HA   ALA  83           HA       ALA  83  -2.469  -6.878  -1.996
  981    HB1  ALA  83           HB1      ALA  83  -0.250  -6.750  -0.975
  982    HB2  ALA  83           HB2      ALA  83  -0.957  -5.144  -1.148
  983    HB3  ALA  83           HB3      ALA  83  -0.937  -5.934   0.428
  984    H    MET  84           H        MET  84  -2.271  -7.079   1.530
  985    HA   MET  84           HA       MET  84  -1.713  -9.802   1.720
  986    HB2  MET  84           HB2      MET  84  -3.037  -7.889   3.629
  987    HB3  MET  84           HB3      MET  84  -2.730  -9.569   4.053
  988    HG2  MET  84           HG2      MET  84  -0.375  -9.275   3.815
  989    HG3  MET  84           HG3      MET  84  -0.594  -7.658   3.147
  990    HE1  MET  84           HE1      MET  84  -1.323  -5.576   4.499
  991    HE2  MET  84           HE2      MET  84  -2.817  -6.408   4.932
  992    HE3  MET  84           HE3      MET  84  -1.853  -5.611   6.183
  993    H    MET  85           H        MET  85  -4.781  -8.104   1.469
  994    HA   MET  85           HA       MET  85  -6.489 -10.319   1.814
  995    HB2  MET  85           HB2      MET  85  -7.268  -7.938   1.722
  996    HB3  MET  85           HB3      MET  85  -6.924  -7.933  -0.001
  997    HG2  MET  85           HG2      MET  85  -8.497 -10.106   0.126
  998    HG3  MET  85           HG3      MET  85  -9.153  -9.174   1.471
  999    HE1  MET  85           HE1      MET  85 -10.747  -6.125  -0.088
 1000    HE2  MET  85           HE2      MET  85 -10.837  -7.305   1.225
 1001    HE3  MET  85           HE3      MET  85  -9.356  -6.351   0.990
 1002    H    CYS  86           H        CYS  86  -5.184  -8.821  -1.156
 1003    HA   CYS  86           HA       CYS  86  -6.438 -10.420  -3.018
 1004    HB2  CYS  86           HB2      CYS  86  -5.139  -8.363  -3.505
 1005    HB3  CYS  86           HB3      CYS  86  -3.653  -9.269  -3.249
 1006    HG   CYS  86           HG       CYS  86  -3.415 -10.014  -5.682
 1007    H    ASN  87           H        ASN  87  -3.412 -11.091  -1.303
 1008    HA   ASN  87           HA       ASN  87  -2.613 -13.347  -2.760
 1009    HB2  ASN  87           HB2      ASN  87  -1.223 -12.176  -1.052
 1010    HB3  ASN  87           HB3      ASN  87  -2.234 -12.881   0.206
 1011   HD21  ASN  87          HD21      ASN  87  -2.048 -15.064   0.678
 1012   HD22  ASN  87          HD22      ASN  87  -0.737 -16.029   0.097
 1013    H    GLU  88           H        GLU  88  -4.659 -13.080   0.114
 1014    HA   GLU  88           HA       GLU  88  -5.217 -15.901   0.213
 1015    HB2  GLU  88           HB2      GLU  88  -6.495 -13.564   1.650
 1016    HB3  GLU  88           HB3      GLU  88  -6.758 -15.257   2.038
 1017    HG2  GLU  88           HG2      GLU  88  -4.438 -15.513   2.659
 1018    HG3  GLU  88           HG3      GLU  88  -4.099 -13.854   2.170
 1019    H    PHE  89           H        PHE  89  -6.681 -13.028  -1.080
 1020    HA   PHE  89           HA       PHE  89  -9.257 -14.118  -1.568
 1021    HB2  PHE  89           HB2      PHE  89  -8.796 -11.670  -1.364
 1022    HB3  PHE  89           HB3      PHE  89  -7.916 -11.748  -2.895
 1023    HD1  PHE  89           HD1      PHE  89 -11.251 -12.330  -1.387
 1024    HD2  PHE  89           HD2      PHE  89  -9.031 -11.509  -4.922
 1025    HE1  PHE  89           HE1      PHE  89 -13.351 -11.959  -2.613
 1026    HE2  PHE  89           HE2      PHE  89 -11.126 -11.138  -6.156
 1027    HZ   PHE  89           HZ       PHE  89 -13.289 -11.364  -5.001
 1028    H    PHE  90           H        PHE  90  -6.228 -14.203  -3.300
 1029    HA   PHE  90           HA       PHE  90  -7.053 -14.981  -5.834
 1030    HB2  PHE  90           HB2      PHE  90  -4.676 -15.662  -4.151
 1031    HB3  PHE  90           HB3      PHE  90  -4.954 -16.596  -5.611
 1032    HD1  PHE  90           HD2      PHE  90  -6.150 -14.002  -7.058
 1033    HD2  PHE  90           HD1      PHE  90  -2.546 -14.928  -4.990
 1034    HE1  PHE  90           HE2      PHE  90  -4.965 -12.298  -8.367
 1035    HE2  PHE  90           HE1      PHE  90  -1.352 -13.228  -6.305
 1036    HZ   PHE  90           HZ       PHE  90  -2.564 -11.912  -7.996
 1037    H    GLU  91           H        GLU  91  -6.639 -16.926  -2.925
 1038    HA   GLU  91           HA       GLU  91  -7.664 -19.292  -4.233
 1039    HB2  GLU  91           HB2      GLU  91  -6.561 -18.678  -1.517
 1040    HB3  GLU  91           HB3      GLU  91  -7.479 -20.156  -1.772
 1041    HG2  GLU  91           HG2      GLU  91  -4.997 -19.338  -3.264
 1042    HG3  GLU  91           HG3      GLU  91  -5.094 -20.550  -1.986
 1043    H    GLY  92           H        GLY  92  -8.845 -16.724  -2.229
 1044    HA2  GLY  92           HA2      GLY  92 -10.903 -16.309  -1.284
 1045    HA3  GLY  92           HA3      GLY  92 -11.556 -17.453  -2.455
 1046    H    PHE  93           H        PHE  93  -9.127 -18.066  -0.015
 1047    HA   PHE  93           HA       PHE  93  -9.977 -20.583   0.656
 1048    HB2  PHE  93           HB2      PHE  93  -7.797 -19.273   1.216
 1049    HB3  PHE  93           HB3      PHE  93  -8.651 -18.824   2.687
 1050    HD1  PHE  93           HD1      PHE  93  -9.209 -20.506   4.361
 1051    HD2  PHE  93           HD2      PHE  93  -7.053 -21.494   0.837
 1052    HE1  PHE  93           HE1      PHE  93  -8.537 -22.641   5.383
 1053    HE2  PHE  93           HE2      PHE  93  -6.370 -23.635   1.847
 1054    HZ   PHE  93           HZ       PHE  93  -7.114 -24.212   4.125
 1055    HA   PRO  94           HA       PRO  94 -13.645 -19.773   3.082
 1056    HB2  PRO  94           HB2      PRO  94 -13.525 -22.664   3.589
 1057    HB3  PRO  94           HB3      PRO  94 -14.788 -21.719   2.795
 1058    HG2  PRO  94           HG2      PRO  94 -13.194 -23.396   1.422
 1059    HG3  PRO  94           HG3      PRO  94 -13.791 -21.880   0.722
 1060    HD2  PRO  94           HD2      PRO  94 -11.102 -22.498   1.889
 1061    HD3  PRO  94           HD3      PRO  94 -11.509 -21.573   0.428
 1062    H    ASP  95           H        ASP  95 -12.395 -18.679   4.658
 1063    HA   ASP  95           HA       ASP  95 -11.759 -18.272   6.786
 1064    HB2  ASP  95           HB2      ASP  95 -12.779 -21.066   7.353
 1065    HB3  ASP  95           HB3      ASP  95 -12.326 -19.882   8.575
 1066    H    LYS  96           H        LYS  96  -9.632 -18.074   6.268
 1067    HA   LYS  96           HA       LYS  96  -7.809 -20.103   5.772
 1068    HB2  LYS  96           HB2      LYS  96  -6.064 -18.442   6.474
 1069    HB3  LYS  96           HB3      LYS  96  -7.203 -17.861   5.270
 1070    HG2  LYS  96           HG2      LYS  96  -8.456 -16.719   7.086
 1071    HG3  LYS  96           HG3      LYS  96  -7.187 -17.210   8.208
 1072    HD2  LYS  96           HD2      LYS  96  -5.564 -15.908   7.082
 1073    HD3  LYS  96           HD3      LYS  96  -6.632 -15.642   5.703
 1074    HE2  LYS  96           HE2      LYS  96  -8.163 -14.393   7.215
 1075    HE3  LYS  96           HE3      LYS  96  -6.960 -14.553   8.494
 1076    HZ1  LYS  96           HZ1      LYS  96  -5.457 -13.207   7.336
 1077    HZ2  LYS  96           HZ2      LYS  96  -6.953 -12.421   7.148
 1078    HZ3  LYS  96           HZ3      LYS  96  -6.309 -13.339   5.875
 1079    H    GLN  97           H        GLN  97  -7.078 -21.689   6.943
 1080    HA   GLN  97           HA       GLN  97  -7.692 -22.038   9.664
 1081    HB2  GLN  97           HB2      GLN  97  -6.178 -24.001   9.529
 1082    HB3  GLN  97           HB3      GLN  97  -7.360 -23.954   8.229
 1083    HG2  GLN  97           HG2      GLN  97  -5.696 -23.149   6.684
 1084    HG3  GLN  97           HG3      GLN  97  -4.505 -23.033   7.978
 1085   HE21  GLN  97          HE21      GLN  97  -5.331 -25.526   9.229
 1086   HE22  GLN  97          HE22      GLN  97  -4.739 -26.795   8.208
 1087    HA   PRO  98           HA       PRO  98  -4.303 -19.823  11.559
 1088    HB2  PRO  98           HB2      PRO  98  -4.914 -21.429  13.937
 1089    HB3  PRO  98           HB3      PRO  98  -5.019 -19.682  13.716
 1090    HG2  PRO  98           HG2      PRO  98  -7.211 -21.237  13.954
 1091    HG3  PRO  98           HG3      PRO  98  -7.188 -19.773  12.955
 1092    HD2  PRO  98           HD2      PRO  98  -6.974 -22.640  12.124
 1093    HD3  PRO  98           HD3      PRO  98  -7.857 -21.306  11.353
 1094    H    ARG  99           H        ARG  99  -2.224 -20.345  12.421
 1095    HA   ARG  99           HA       ARG  99  -1.220 -22.865  11.443
 1096    HB2  ARG  99           HB2      ARG  99   0.974 -21.975  11.977
 1097    HB3  ARG  99           HB3      ARG  99   0.025 -20.756  11.139
 1098    HG2  ARG  99           HG2      ARG  99  -0.535 -19.866  13.479
 1099    HG3  ARG  99           HG3      ARG  99   0.814 -20.863  14.025
 1100    HD2  ARG  99           HD2      ARG  99   1.714 -18.715  13.632
 1101    HD3  ARG  99           HD3      ARG  99   2.212 -19.707  12.263
 1102    HE   ARG  99           HE       ARG  99  -0.237 -18.229  11.846
 1103   HH11  ARG  99          HH12      ARG  99   3.259 -18.190  11.546
 1104   HH12  ARG  99          HH11      ARG  99   3.262 -16.933  10.349
 1105   HH21  ARG  99          HH22      ARG  99  -0.225 -16.556  10.284
 1106   HH22  ARG  99          HH21      ARG  99   1.293 -15.989   9.641
 1107    H    LYS 100           H        LYS 100  -2.909 -22.325  14.016
 1108    HA   LYS 100           HA       LYS 100  -3.320 -23.384  15.952
 1109    HB2  LYS 100           HB2      LYS 100  -1.125 -25.232  15.029
 1110    HB3  LYS 100           HB3      LYS 100  -2.080 -25.495  16.483
 1111    HG2  LYS 100           HG2      LYS 100  -4.119 -25.381  14.947
 1112    HG3  LYS 100           HG3      LYS 100  -2.967 -25.563  13.622
 1113    HD2  LYS 100           HD2      LYS 100  -3.271 -27.461  15.949
 1114    HD3  LYS 100           HD3      LYS 100  -3.935 -27.715  14.334
 1115    HE2  LYS 100           HE2      LYS 100  -1.002 -27.322  14.880
 1116    HE3  LYS 100           HE3      LYS 100  -1.773 -28.907  14.828
 1117    HZ1  LYS 100           HZ1      LYS 100  -0.759 -28.343  12.713
 1118    HZ2  LYS 100           HZ2      LYS 100  -1.705 -26.942  12.594
 1119    HZ3  LYS 100           HZ3      LYS 100  -2.442 -28.470  12.549
 1120    H    LYS 101           H        LYS 101  -2.853 -23.061  18.020
 1121    HA   LYS 101           HA       LYS 101  -0.197 -21.930  18.614
 1122    HB2  LYS 101           HB2      LYS 101  -2.811 -21.415  20.052
 1123    HB3  LYS 101           HB3      LYS 101  -1.274 -20.617  20.358
 1124    HG2  LYS 101           HG2      LYS 101  -2.863 -20.432  17.806
 1125    HG3  LYS 101           HG3      LYS 101  -2.800 -19.206  19.073
 1126    HD2  LYS 101           HD2      LYS 101  -0.365 -20.193  17.598
 1127    HD3  LYS 101           HD3      LYS 101  -1.306 -18.791  17.087
 1128    HE2  LYS 101           HE2      LYS 101  -0.003 -19.100  19.791
 1129    HE3  LYS 101           HE3      LYS 101   0.688 -18.200  18.439
 1130    HZ1  LYS 101           HZ1      LYS 101  -1.891 -17.606  19.795
 1131    HZ2  LYS 101           HZ2      LYS 101  -1.266 -16.759  18.467
 1132    HZ3  LYS 101           HZ3      LYS 101  -0.451 -16.722  19.954
 1133    H    MET   1           H1       MET   1  -1.359   2.376 -19.592
 1134    HA   MET   1           HA       MET   1  -3.759   2.329 -19.539
 1135    HB2  MET   1           HB2      MET   1  -4.058   0.877 -21.629
 1136    HB3  MET   1           HB3      MET   1  -2.910   2.203 -21.713
 1137    HG2  MET   1           HG2      MET   1  -1.960   0.321 -22.804
 1138    HG3  MET   1           HG3      MET   1  -1.084   0.577 -21.299
 1139    HE1  MET   1           HE1      MET   1  -4.612  -1.117 -21.892
 1140    HE2  MET   1           HE2      MET   1  -3.624  -1.648 -23.255
 1141    HE3  MET   1           HE3      MET   1  -4.134  -2.808 -22.028
 1142    H    ALA   2           H        ALA   2  -2.623   0.127 -17.612
 1143    HA   ALA   2           HA       ALA   2  -4.769  -1.827 -17.937
 1144    HB1  ALA   2           HB1      ALA   2  -3.660  -3.060 -16.158
 1145    HB2  ALA   2           HB2      ALA   2  -2.501  -2.644 -17.422
 1146    HB3  ALA   2           HB3      ALA   2  -2.529  -1.729 -15.913
 1147    H    CYS   3           H        CYS   3  -5.934  -2.422 -15.837
 1148    HA   CYS   3           HA       CYS   3  -7.242  -0.211 -14.702
 1149    HB2  CYS   3           HB2      CYS   3  -7.008  -3.017 -13.586
 1150    HB3  CYS   3           HB3      CYS   3  -8.227  -1.821 -13.148
 1151    HG   CYS   3           HG       CYS   3  -9.225  -3.934 -14.846
 1152    HA   PRO   4           HA       PRO   4  -3.569   1.055 -12.599
 1153    HB2  PRO   4           HB2      PRO   4  -5.453   3.024 -11.423
 1154    HB3  PRO   4           HB3      PRO   4  -3.930   3.305 -12.270
 1155    HG2  PRO   4           HG2      PRO   4  -6.206   3.815 -13.491
 1156    HG3  PRO   4           HG3      PRO   4  -4.915   2.970 -14.371
 1157    HD2  PRO   4           HD2      PRO   4  -7.369   1.831 -13.066
 1158    HD3  PRO   4           HD3      PRO   4  -6.685   1.483 -14.671
 1159    H    LEU   5           H        LEU   5  -6.415   1.595 -10.507
 1160    HA   LEU   5           HA       LEU   5  -4.953   1.061  -8.147
 1161    HB2  LEU   5           HB2      LEU   5  -7.337   2.240  -8.713
 1162    HB3  LEU   5           HB3      LEU   5  -7.876   0.709  -8.055
 1163    HG   LEU   5           HG       LEU   5  -7.820   2.468  -6.357
 1164   HD11  LEU   5          HD11      LEU   5  -6.522   1.271  -4.675
 1165   HD12  LEU   5          HD12      LEU   5  -7.521   0.193  -5.653
 1166   HD13  LEU   5          HD13      LEU   5  -5.785   0.297  -5.952
 1167   HD21  LEU   5          HD21      LEU   5  -4.854   2.517  -6.879
 1168   HD22  LEU   5          HD22      LEU   5  -6.000   3.821  -7.201
 1169   HD23  LEU   5          HD23      LEU   5  -5.679   3.320  -5.540
 1170    H    GLU   6           H        GLU   6  -6.881  -0.944 -10.281
 1171    HA   GLU   6           HA       GLU   6  -7.199  -3.140  -8.548
 1172    HB2  GLU   6           HB2      GLU   6  -8.491  -2.864 -10.638
 1173    HB3  GLU   6           HB3      GLU   6  -7.029  -3.182 -11.565
 1174    HG2  GLU   6           HG2      GLU   6  -6.900  -5.416 -10.692
 1175    HG3  GLU   6           HG3      GLU   6  -8.263  -5.114  -9.618
 1176    H    LYS   7           H        LYS   7  -4.723  -2.378 -10.977
 1177    HA   LYS   7           HA       LYS   7  -3.253  -4.751 -10.552
 1178    HB2  LYS   7           HB2      LYS   7  -2.794  -2.208 -12.013
 1179    HB3  LYS   7           HB3      LYS   7  -1.359  -3.132 -11.565
 1180    HG2  LYS   7           HG2      LYS   7  -3.702  -4.291 -13.062
 1181    HG3  LYS   7           HG3      LYS   7  -2.256  -3.636 -13.834
 1182    HD2  LYS   7           HD2      LYS   7  -0.867  -5.268 -12.728
 1183    HD3  LYS   7           HD3      LYS   7  -2.240  -5.862 -11.797
 1184    HE2  LYS   7           HE2      LYS   7  -2.126  -5.946 -14.800
 1185    HE3  LYS   7           HE3      LYS   7  -1.555  -7.260 -13.771
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.331  -6.186 -13.836
 1187    HZ2  LYS   7           HZ2      LYS   7  -3.778  -7.433 -12.831
 1188    HZ3  LYS   7           HZ3      LYS   7  -3.812  -7.657 -14.504
 1189    H    ALA   8           H        ALA   8  -3.300  -1.672  -8.929
 1190    HA   ALA   8           HA       ALA   8  -0.901  -1.694  -7.578
 1191    HB1  ALA   8           HB1      ALA   8  -2.521   0.129  -7.406
 1192    HB2  ALA   8           HB2      ALA   8  -3.579  -0.900  -6.442
 1193    HB3  ALA   8           HB3      ALA   8  -2.002  -0.424  -5.813
 1194    H    LEU   9           H        LEU   9  -3.941  -3.236  -6.442
 1195    HA   LEU   9           HA       LEU   9  -2.590  -4.512  -4.259
 1196    HB2  LEU   9           HB2      LEU   9  -5.303  -5.204  -5.398
 1197    HB3  LEU   9           HB3      LEU   9  -4.663  -5.724  -3.861
 1198    HG   LEU   9           HG       LEU   9  -6.109  -4.035  -3.250
 1199   HD11  LEU   9          HD11      LEU   9  -3.461  -2.672  -3.619
 1200   HD12  LEU   9          HD12      LEU   9  -4.756  -2.146  -2.543
 1201   HD13  LEU   9          HD13      LEU   9  -3.940  -3.684  -2.258
 1202   HD21  LEU   9          HD21      LEU   9  -6.348  -1.901  -4.370
 1203   HD22  LEU   9          HD22      LEU   9  -5.103  -2.355  -5.533
 1204   HD23  LEU   9          HD23      LEU   9  -6.633  -3.230  -5.493
 1205    H    ASP  10           H        ASP  10  -3.447  -5.395  -7.514
 1206    HA   ASP  10           HA       ASP  10  -3.078  -8.177  -7.372
 1207    HB2  ASP  10           HB2      ASP  10  -4.108  -7.095  -9.311
 1208    HB3  ASP  10           HB3      ASP  10  -2.595  -6.276  -9.683
 1209    H    VAL  11           H        VAL  11  -0.819  -5.661  -8.460
 1210    HA   VAL  11           HA       VAL  11   1.321  -7.464  -8.867
 1211    HB   VAL  11           HB       VAL  11   2.680  -5.551  -9.302
 1212   HG11  VAL  11          HG11      VAL  11  -0.146  -5.006 -10.201
 1213   HG12  VAL  11          HG12      VAL  11   1.321  -4.387 -10.958
 1214   HG13  VAL  11          HG13      VAL  11   0.984  -6.119 -10.974
 1215   HG21  VAL  11          HG21      VAL  11   2.111  -4.209  -7.342
 1216   HG22  VAL  11          HG22      VAL  11   1.947  -3.261  -8.820
 1217   HG23  VAL  11          HG23      VAL  11   0.511  -3.891  -8.014
 1218    H    MET  12           H        MET  12   0.167  -5.761  -6.100
 1219    HA   MET  12           HA       MET  12   2.384  -5.718  -4.443
 1220    HB2  MET  12           HB2      MET  12  -0.542  -6.039  -3.986
 1221    HB3  MET  12           HB3      MET  12   0.563  -6.284  -2.638
 1222    HG2  MET  12           HG2      MET  12   1.384  -4.083  -2.786
 1223    HG3  MET  12           HG3      MET  12   0.608  -3.823  -4.347
 1224    HE1  MET  12           HE1      MET  12   0.018  -1.501  -2.877
 1225    HE2  MET  12           HE2      MET  12  -1.077  -1.547  -1.483
 1226    HE3  MET  12           HE3      MET  12   0.545  -2.241  -1.358
 1227    H    VAL  13           H        VAL  13   0.112  -8.400  -5.028
 1228    HA   VAL  13           HA       VAL  13   1.930 -10.178  -3.608
 1229    HB   VAL  13           HB       VAL  13   0.222 -11.940  -4.006
 1230   HG11  VAL  13          HG11      VAL  13   0.275 -10.696  -1.931
 1231   HG12  VAL  13          HG12      VAL  13  -0.709  -9.419  -2.645
 1232   HG13  VAL  13          HG13      VAL  13  -1.395 -11.024  -2.396
 1233   HG21  VAL  13          HG21      VAL  13  -0.817 -11.037  -6.017
 1234   HG22  VAL  13          HG22      VAL  13  -2.010 -11.280  -4.741
 1235   HG23  VAL  13          HG23      VAL  13  -1.416  -9.657  -5.098
 1236    H    SER  14           H        SER  14   0.939  -9.444  -6.895
 1237    HA   SER  14           HA       SER  14   1.957 -11.768  -8.131
 1238    HB2  SER  14           HB2      SER  14   1.619  -8.978  -9.255
 1239    HB3  SER  14           HB3      SER  14   1.930 -10.423 -10.217
 1240    HG   SER  14           HG       SER  14  -0.388  -9.560  -9.700
 1241    H    THR  15           H        THR  15   3.419  -8.506  -7.991
 1242    HA   THR  15           HA       THR  15   5.969  -9.312  -8.891
 1243    HB   THR  15           HB       THR  15   5.211  -6.923  -7.186
 1244    HG1  THR  15           HG1      THR  15   5.566  -6.093  -9.602
 1245   HG21  THR  15          HG21      THR  15   7.644  -7.374  -7.209
 1246   HG22  THR  15          HG22      THR  15   7.234  -5.878  -8.046
 1247   HG23  THR  15          HG23      THR  15   7.620  -7.328  -8.972
 1248    H    PHE  16           H        PHE  16   4.451  -9.145  -5.757
 1249    HA   PHE  16           HA       PHE  16   6.530  -9.567  -3.998
 1250    HB2  PHE  16           HB2      PHE  16   4.157  -9.237  -3.399
 1251    HB3  PHE  16           HB3      PHE  16   3.793 -10.850  -3.986
 1252    HD1  PHE  16           HD1      PHE  16   5.621  -8.963  -1.401
 1253    HD2  PHE  16           HD2      PHE  16   4.041 -12.715  -2.608
 1254    HE1  PHE  16           HE1      PHE  16   5.986  -9.839   0.865
 1255    HE2  PHE  16           HE2      PHE  16   4.407 -13.601  -0.348
 1256    HZ   PHE  16           HZ       PHE  16   5.379 -12.161   1.393
 1257    H    HIS  17           H        HIS  17   4.496 -12.143  -5.381
 1258    HA   HIS  17           HA       HIS  17   6.046 -14.294  -4.474
 1259    HB2  HIS  17           HB2      HIS  17   4.042 -14.027  -6.708
 1260    HB3  HIS  17           HB3      HIS  17   4.850 -15.553  -6.382
 1261    HD1  HIS  17           HD1      HIS  17   3.106 -16.974  -5.362
 1262    HD2  HIS  17           HD2      HIS  17   3.100 -13.134  -3.765
 1263    HE1  HIS  17           HE1      HIS  17   1.390 -17.003  -3.524
 1264    HE2  HIS  17           HE2      HIS  17   1.571 -14.744  -2.432
 1265    H    LYS  18           H        LYS  18   6.461 -12.211  -7.178
 1266    HA   LYS  18           HA       LYS  18   7.935 -13.994  -8.832
 1267    HB2  LYS  18           HB2      LYS  18   6.654 -12.022  -9.640
 1268    HB3  LYS  18           HB3      LYS  18   7.846 -10.976  -8.881
 1269    HG2  LYS  18           HG2      LYS  18   9.577 -11.896 -10.349
 1270    HG3  LYS  18           HG3      LYS  18   8.365 -12.923 -11.116
 1271    HD2  LYS  18           HD2      LYS  18   7.130 -10.899 -11.779
 1272    HD3  LYS  18           HD3      LYS  18   8.411  -9.913 -11.071
 1273    HE2  LYS  18           HE2      LYS  18   8.769 -10.082 -13.433
 1274    HE3  LYS  18           HE3      LYS  18  10.025 -10.984 -12.599
 1275    HZ1  LYS  18           HZ1      LYS  18   8.977 -13.023 -13.139
 1276    HZ2  LYS  18           HZ2      LYS  18   9.024 -12.122 -14.575
 1277    HZ3  LYS  18           HZ3      LYS  18   7.578 -12.248 -13.698
 1278    H    TYR  19           H        TYR  19   8.813 -11.691  -6.316
 1279    HA   TYR  19           HA       TYR  19  11.645 -12.149  -6.984
 1280    HB2  TYR  19           HB2      TYR  19  10.364  -9.822  -5.549
 1281    HB3  TYR  19           HB3      TYR  19  12.100 -10.036  -5.736
 1282    HD1  TYR  19           HD1      TYR  19   8.949  -9.515  -7.598
 1283    HD2  TYR  19           HD2      TYR  19  13.195  -9.392  -7.748
 1284    HE1  TYR  19           HE1      TYR  19   8.829  -8.371  -9.763
 1285    HE2  TYR  19           HE2      TYR  19  13.086  -8.243  -9.925
 1286    HH   TYR  19           HH       TYR  19  10.105  -6.998 -11.182
 1287    H    SER  20           H        SER  20   9.278 -12.409  -4.416
 1288    HA   SER  20           HA       SER  20  11.121 -12.632  -2.274
 1289    HB2  SER  20           HB2      SER  20   9.182 -13.680  -1.066
 1290    HB3  SER  20           HB3      SER  20   8.814 -12.122  -1.806
 1291    HG   SER  20           HG       SER  20   7.347 -14.100  -2.118
 1292    H    GLY  21           H        GLY  21   9.399 -15.070  -4.193
 1293    HA2  GLY  21           HA2      GLY  21  10.738 -17.254  -2.879
 1294    HA3  GLY  21           HA3      GLY  21   9.627 -17.374  -4.234
 1295    H    LYS  22           H        LYS  22  12.589 -15.467  -4.063
 1296    HA   LYS  22           HA       LYS  22  13.649 -17.068  -6.278
 1297    HB2  LYS  22           HB2      LYS  22  13.363 -14.691  -6.757
 1298    HB3  LYS  22           HB3      LYS  22  14.344 -14.272  -5.360
 1299    HG2  LYS  22           HG2      LYS  22  16.306 -15.105  -6.372
 1300    HG3  LYS  22           HG3      LYS  22  15.392 -15.897  -7.656
 1301    HD2  LYS  22           HD2      LYS  22  15.584 -12.920  -7.214
 1302    HD3  LYS  22           HD3      LYS  22  16.463 -13.836  -8.438
 1303    HE2  LYS  22           HE2      LYS  22  14.177 -14.610  -9.260
 1304    HE3  LYS  22           HE3      LYS  22  13.507 -13.336  -8.242
 1305    HZ1  LYS  22           HZ1      LYS  22  15.418 -12.969 -10.482
 1306    HZ2  LYS  22           HZ2      LYS  22  14.864 -11.724  -9.473
 1307    HZ3  LYS  22           HZ3      LYS  22  13.775 -12.547 -10.480
 1308    H    GLU  23           H        GLU  23  15.046 -15.135  -3.619
 1309    HA   GLU  23           HA       GLU  23  16.888 -17.389  -3.118
 1310    HB2  GLU  23           HB2      GLU  23  17.279 -14.440  -2.586
 1311    HB3  GLU  23           HB3      GLU  23  18.430 -15.702  -2.170
 1312    HG2  GLU  23           HG2      GLU  23  17.532 -14.982  -4.952
 1313    HG3  GLU  23           HG3      GLU  23  19.064 -14.530  -4.207
 1314    H    GLY  24           H        GLY  24  14.119 -16.394  -2.000
 1315    HA2  GLY  24           HA2      GLY  24  14.750 -17.221   0.731
 1316    HA3  GLY  24           HA3      GLY  24  13.955 -15.665   0.528
 1317    H    ASP  25           H        ASP  25  12.263 -16.697   1.861
 1318    HA   ASP  25           HA       ASP  25  10.665 -18.804   0.834
 1319    HB2  ASP  25           HB2      ASP  25   9.823 -16.571   2.703
 1320    HB3  ASP  25           HB3      ASP  25   8.958 -18.079   2.440
 1321    H    LYS  26           H        LYS  26   8.597 -18.666  -0.183
 1322    HA   LYS  26           HA       LYS  26   8.544 -16.704  -2.232
 1323    HB2  LYS  26           HB2      LYS  26   6.422 -17.780  -2.925
 1324    HB3  LYS  26           HB3      LYS  26   7.749 -18.902  -2.724
 1325    HG2  LYS  26           HG2      LYS  26   5.948 -20.023  -1.803
 1326    HG3  LYS  26           HG3      LYS  26   6.764 -19.354  -0.395
 1327    HD2  LYS  26           HD2      LYS  26   4.423 -19.022  -0.105
 1328    HD3  LYS  26           HD3      LYS  26   5.143 -17.453  -0.460
 1329    HE2  LYS  26           HE2      LYS  26   3.032 -17.802  -1.661
 1330    HE3  LYS  26           HE3      LYS  26   4.388 -17.595  -2.761
 1331    HZ1  LYS  26           HZ1      LYS  26   2.883 -19.400  -3.423
 1332    HZ2  LYS  26           HZ2      LYS  26   3.228 -20.214  -1.977
 1333    HZ3  LYS  26           HZ3      LYS  26   4.455 -19.962  -3.118
 1334    H    PHE  27           H        PHE  27   7.695 -16.362   0.896
 1335    HA   PHE  27           HA       PHE  27   6.045 -14.018   0.231
 1336    HB2  PHE  27           HB2      PHE  27   4.903 -14.361   2.484
 1337    HB3  PHE  27           HB3      PHE  27   4.446 -15.477   1.205
 1338    HD1  PHE  27           HD1      PHE  27   6.922 -15.243   4.003
 1339    HD2  PHE  27           HD2      PHE  27   4.274 -17.685   1.742
 1340    HE1  PHE  27           HE1      PHE  27   7.410 -17.144   5.488
 1341    HE2  PHE  27           HE2      PHE  27   4.760 -19.590   3.217
 1342    HZ   PHE  27           HZ       PHE  27   6.329 -19.321   5.094
 1343    H    LYS  28           H        LYS  28   8.963 -14.720   0.929
 1344    HA   LYS  28           HA       LYS  28   9.230 -12.696   3.054
 1345    HB2  LYS  28           HB2      LYS  28   9.691 -15.215   3.617
 1346    HB3  LYS  28           HB3      LYS  28  11.194 -14.936   2.750
 1347    HG2  LYS  28           HG2      LYS  28  11.736 -14.582   4.974
 1348    HG3  LYS  28           HG3      LYS  28  11.525 -12.956   4.318
 1349    HD2  LYS  28           HD2      LYS  28  10.444 -13.165   6.496
 1350    HD3  LYS  28           HD3      LYS  28   9.251 -12.888   5.226
 1351    HE2  LYS  28           HE2      LYS  28   8.601 -14.643   6.881
 1352    HE3  LYS  28           HE3      LYS  28   8.624 -15.193   5.207
 1353    HZ1  LYS  28           HZ1      LYS  28   9.651 -16.763   6.818
 1354    HZ2  LYS  28           HZ2      LYS  28  10.872 -15.616   7.110
 1355    HZ3  LYS  28           HZ3      LYS  28  10.690 -16.295   5.565
 1356    H    LEU  29           H        LEU  29  10.280 -10.971   2.294
 1357    HA   LEU  29           HA       LEU  29  12.301 -11.411   0.196
 1358    HB2  LEU  29           HB2      LEU  29  10.701  -8.930   0.816
 1359    HB3  LEU  29           HB3      LEU  29  12.022  -8.986  -0.333
 1360    HG   LEU  29           HG       LEU  29  10.564 -10.897  -1.421
 1361   HD11  LEU  29          HD11      LEU  29   8.543  -9.244   0.067
 1362   HD12  LEU  29          HD12      LEU  29   8.169 -10.372  -1.233
 1363   HD13  LEU  29          HD13      LEU  29   8.859 -10.964   0.280
 1364   HD21  LEU  29          HD21      LEU  29   9.547  -9.212  -2.868
 1365   HD22  LEU  29          HD22      LEU  29   9.945  -7.961  -1.691
 1366   HD23  LEU  29          HD23      LEU  29  11.234  -8.833  -2.519
 1367    H    ASN  30           H        ASN  30  14.266 -11.470   1.050
 1368    HA   ASN  30           HA       ASN  30  14.968  -9.828   3.324
 1369    HB2  ASN  30           HB2      ASN  30  17.142 -10.836   3.213
 1370    HB3  ASN  30           HB3      ASN  30  15.968 -12.115   2.920
 1371   HD21  ASN  30          HD21      ASN  30  15.818 -13.027   0.896
 1372   HD22  ASN  30          HD22      ASN  30  17.020 -12.769  -0.321
 1373    H    LYS  31           H        LYS  31  17.447  -8.882   2.762
 1374    HA   LYS  31           HA       LYS  31  17.084  -6.417   1.669
 1375    HB2  LYS  31           HB2      LYS  31  19.623  -8.052   1.480
 1376    HB3  LYS  31           HB3      LYS  31  19.518  -6.308   1.321
 1377    HG2  LYS  31           HG2      LYS  31  18.815  -6.126   3.644
 1378    HG3  LYS  31           HG3      LYS  31  18.876  -7.885   3.803
 1379    HD2  LYS  31           HD2      LYS  31  21.264  -7.858   3.262
 1380    HD3  LYS  31           HD3      LYS  31  21.211  -6.106   3.099
 1381    HE2  LYS  31           HE2      LYS  31  20.538  -7.595   5.627
 1382    HE3  LYS  31           HE3      LYS  31  22.126  -6.919   5.270
 1383    HZ1  LYS  31           HZ1      LYS  31  21.072  -4.730   5.101
 1384    HZ2  LYS  31           HZ2      LYS  31  20.883  -5.414   6.639
 1385    HZ3  LYS  31           HZ3      LYS  31  19.589  -5.408   5.548
 1386    H    SER  32           H        SER  32  18.327  -9.282  -0.049
 1387    HA   SER  32           HA       SER  32  18.859  -7.888  -2.459
 1388    HB2  SER  32           HB2      SER  32  20.005  -9.979  -1.734
 1389    HB3  SER  32           HB3      SER  32  18.517 -10.867  -2.059
 1390    HG   SER  32           HG       SER  32  18.833 -10.686  -4.161
 1391    H    GLU  33           H        GLU  33  16.133  -9.856  -1.360
 1392    HA   GLU  33           HA       GLU  33  14.933 -10.112  -3.917
 1393    HB2  GLU  33           HB2      GLU  33  13.441 -10.217  -1.302
 1394    HB3  GLU  33           HB3      GLU  33  13.051 -11.042  -2.803
 1395    HG2  GLU  33           HG2      GLU  33  15.249 -11.659  -0.858
 1396    HG3  GLU  33           HG3      GLU  33  13.887 -12.673  -1.327
 1397    H    LEU  34           H        LEU  34  14.412  -7.937  -1.178
 1398    HA   LEU  34           HA       LEU  34  12.372  -6.399  -2.374
 1399    HB2  LEU  34           HB2      LEU  34  14.267  -6.021  -0.112
 1400    HB3  LEU  34           HB3      LEU  34  13.414  -4.617  -0.726
 1401    HG   LEU  34           HG       LEU  34  12.029  -7.122   0.189
 1402   HD11  LEU  34          HD11      LEU  34  11.469  -5.829   2.214
 1403   HD12  LEU  34          HD12      LEU  34  13.197  -6.158   2.072
 1404   HD13  LEU  34          HD13      LEU  34  12.570  -4.559   1.676
 1405   HD21  LEU  34          HD21      LEU  34  10.742  -5.809  -1.369
 1406   HD22  LEU  34          HD22      LEU  34  10.074  -5.616   0.252
 1407   HD23  LEU  34          HD23      LEU  34  11.070  -4.339  -0.451
 1408    H    LYS  35           H        LYS  35  15.893  -5.979  -2.248
 1409    HA   LYS  35           HA       LYS  35  16.003  -3.501  -3.495
 1410    HB2  LYS  35           HB2      LYS  35  17.948  -4.545  -2.403
 1411    HB3  LYS  35           HB3      LYS  35  18.042  -5.717  -3.713
 1412    HG2  LYS  35           HG2      LYS  35  18.731  -4.133  -5.264
 1413    HG3  LYS  35           HG3      LYS  35  18.147  -2.782  -4.280
 1414    HD2  LYS  35           HD2      LYS  35  20.545  -2.811  -4.152
 1415    HD3  LYS  35           HD3      LYS  35  19.897  -3.322  -2.592
 1416    HE2  LYS  35           HE2      LYS  35  20.232  -5.677  -3.276
 1417    HE3  LYS  35           HE3      LYS  35  20.985  -5.097  -4.760
 1418    HZ1  LYS  35           HZ1      LYS  35  22.627  -5.682  -3.086
 1419    HZ2  LYS  35           HZ2      LYS  35  21.971  -4.548  -2.010
 1420    HZ3  LYS  35           HZ3      LYS  35  22.700  -4.029  -3.453
 1421    H    GLU  36           H        GLU  36  16.230  -6.732  -4.976
 1422    HA   GLU  36           HA       GLU  36  16.495  -5.819  -7.610
 1423    HB2  GLU  36           HB2      GLU  36  16.662  -8.231  -6.582
 1424    HB3  GLU  36           HB3      GLU  36  14.955  -8.298  -7.014
 1425    HG2  GLU  36           HG2      GLU  36  15.587  -7.660  -9.322
 1426    HG3  GLU  36           HG3      GLU  36  17.273  -7.813  -8.857
 1427    H    LEU  37           H        LEU  37  13.633  -6.675  -5.720
 1428    HA   LEU  37           HA       LEU  37  11.625  -6.259  -7.576
 1429    HB2  LEU  37           HB2      LEU  37  11.429  -7.100  -5.205
 1430    HB3  LEU  37           HB3      LEU  37  11.553  -5.431  -4.679
 1431    HG   LEU  37           HG       LEU  37   9.435  -5.762  -6.628
 1432   HD11  LEU  37          HD11      LEU  37   9.305  -7.394  -4.093
 1433   HD12  LEU  37          HD12      LEU  37   7.941  -7.052  -5.158
 1434   HD13  LEU  37          HD13      LEU  37   9.297  -8.014  -5.745
 1435   HD21  LEU  37          HD21      LEU  37   9.708  -3.828  -5.152
 1436   HD22  LEU  37          HD22      LEU  37   8.155  -4.623  -4.887
 1437   HD23  LEU  37          HD23      LEU  37   9.477  -4.868  -3.745
 1438    H    LEU  38           H        LEU  38  13.075  -3.900  -5.353
 1439    HA   LEU  38           HA       LEU  38  11.650  -1.679  -6.357
 1440    HB2  LEU  38           HB2      LEU  38  14.034  -2.027  -4.592
 1441    HB3  LEU  38           HB3      LEU  38  13.629  -0.426  -5.188
 1442    HG   LEU  38           HG       LEU  38  11.264  -1.629  -4.109
 1443   HD11  LEU  38          HD11      LEU  38  13.644  -1.654  -2.261
 1444   HD12  LEU  38          HD12      LEU  38  11.962  -1.835  -1.764
 1445   HD13  LEU  38          HD13      LEU  38  12.715  -3.057  -2.792
 1446   HD21  LEU  38          HD21      LEU  38  11.649   0.761  -4.331
 1447   HD22  LEU  38          HD22      LEU  38  11.346   0.343  -2.646
 1448   HD23  LEU  38          HD23      LEU  38  12.993   0.669  -3.188
 1449    H    THR  39           H        THR  39  14.932  -2.902  -7.076
 1450    HA   THR  39           HA       THR  39  15.737  -0.778  -8.719
 1451    HB   THR  39           HB       THR  39  17.338  -2.343  -9.762
 1452    HG1  THR  39           HG1      THR  39  15.595  -4.210  -8.672
 1453   HG21  THR  39          HG21      THR  39  17.857  -1.339  -7.589
 1454   HG22  THR  39          HG22      THR  39  18.556  -2.952  -7.756
 1455   HG23  THR  39          HG23      THR  39  17.101  -2.718  -6.786
 1456    H    ARG  40           H        ARG  40  13.673  -3.487  -9.345
 1457    HA   ARG  40           HA       ARG  40  13.754  -3.144 -12.212
 1458    HB2  ARG  40           HB2      ARG  40  12.248  -4.995 -10.376
 1459    HB3  ARG  40           HB3      ARG  40  11.991  -4.976 -12.118
 1460    HG2  ARG  40           HG2      ARG  40  14.598  -5.563 -10.726
 1461    HG3  ARG  40           HG3      ARG  40  13.513  -6.758 -11.440
 1462    HD2  ARG  40           HD2      ARG  40  14.927  -4.537 -12.906
 1463    HD3  ARG  40           HD3      ARG  40  15.367  -6.245 -12.937
 1464    HE   ARG  40           HE       ARG  40  13.092  -6.610 -13.949
 1465   HH11  ARG  40          HH12      ARG  40  14.789  -3.559 -14.291
 1466   HH12  ARG  40          HH11      ARG  40  13.963  -3.127 -15.761
 1467   HH21  ARG  40          HH22      ARG  40  12.017  -6.041 -15.883
 1468   HH22  ARG  40          HH21      ARG  40  12.391  -4.531 -16.665
 1469    H    GLU  41           H        GLU  41  11.149  -3.100  -9.768
 1470    HA   GLU  41           HA       GLU  41   9.530  -1.667 -11.736
 1471    HB2  GLU  41           HB2      GLU  41   8.879  -3.564  -9.537
 1472    HB3  GLU  41           HB3      GLU  41   7.651  -2.428 -10.091
 1473    HG2  GLU  41           HG2      GLU  41   7.620  -3.316 -12.245
 1474    HG3  GLU  41           HG3      GLU  41   9.166  -4.141 -12.019
 1475    H    LEU  42           H        LEU  42  11.193  -0.978  -8.855
 1476    HA   LEU  42           HA       LEU  42   9.485   1.419  -8.561
 1477    HB2  LEU  42           HB2      LEU  42  11.014   0.040  -6.356
 1478    HB3  LEU  42           HB3      LEU  42  10.066   1.501  -6.186
 1479    HG   LEU  42           HG       LEU  42   8.080   0.026  -6.968
 1480   HD11  LEU  42          HD11      LEU  42   9.385  -1.896  -7.653
 1481   HD12  LEU  42          HD12      LEU  42  10.010  -2.073  -6.009
 1482   HD13  LEU  42          HD13      LEU  42   8.291  -2.316  -6.331
 1483   HD21  LEU  42          HD21      LEU  42   8.277   0.994  -4.754
 1484   HD22  LEU  42          HD22      LEU  42   7.674  -0.658  -4.649
 1485   HD23  LEU  42          HD23      LEU  42   9.357  -0.308  -4.260
 1486    HA   PRO  43           HA       PRO  43  14.153   2.289  -8.980
 1487    HB2  PRO  43           HB2      PRO  43  14.452   3.049 -11.524
 1488    HB3  PRO  43           HB3      PRO  43  14.502   1.350 -11.054
 1489    HG2  PRO  43           HG2      PRO  43  12.276   2.901 -12.306
 1490    HG3  PRO  43           HG3      PRO  43  12.804   1.239 -12.630
 1491    HD2  PRO  43           HD2      PRO  43  10.654   1.910 -11.044
 1492    HD3  PRO  43           HD3      PRO  43  11.559   0.389 -10.908
 1493    H    SER  44           H        SER  44  11.302   3.923 -10.021
 1494    HA   SER  44           HA       SER  44  12.396   6.564 -10.057
 1495    HB2  SER  44           HB2      SER  44   9.867   7.131  -9.851
 1496    HB3  SER  44           HB3      SER  44  10.427   6.322 -11.316
 1497    HG   SER  44           HG       SER  44   9.187   4.694 -10.836
 1498    H    PHE  45           H        PHE  45  10.587   4.595  -7.742
 1499    HA   PHE  45           HA       PHE  45  10.598   6.575  -5.669
 1500    HB2  PHE  45           HB2      PHE  45  10.120   3.631  -5.240
 1501    HB3  PHE  45           HB3      PHE  45   9.458   4.993  -4.348
 1502    HD1  PHE  45           HD2      PHE  45   7.939   6.611  -5.803
 1503    HD2  PHE  45           HD1      PHE  45   8.809   2.552  -6.725
 1504    HE1  PHE  45           HE2      PHE  45   5.906   6.487  -7.180
 1505    HE2  PHE  45           HE1      PHE  45   6.786   2.422  -8.104
 1506    HZ   PHE  45           HZ       PHE  45   5.332   4.383  -8.334
 1507    H    LEU  46           H        LEU  46  13.202   5.437  -6.853
 1508    HA   LEU  46           HA       LEU  46  14.388   4.648  -4.305
 1509    HB2  LEU  46           HB2      LEU  46  15.701   4.866  -7.023
 1510    HB3  LEU  46           HB3      LEU  46  16.440   4.228  -5.567
 1511    HG   LEU  46           HG       LEU  46  14.174   3.009  -7.140
 1512   HD11  LEU  46          HD11      LEU  46  16.970   2.066  -6.530
 1513   HD12  LEU  46          HD12      LEU  46  15.738   1.132  -7.380
 1514   HD13  LEU  46          HD13      LEU  46  16.364   2.621  -8.090
 1515   HD21  LEU  46          HD21      LEU  46  14.163   1.212  -5.488
 1516   HD22  LEU  46          HD22      LEU  46  15.354   2.084  -4.527
 1517   HD23  LEU  46          HD23      LEU  46  13.736   2.753  -4.746
 1518    H    GLY  47           H        GLY  47  13.928   7.308  -6.381
 1519    HA2  GLY  47           HA2      GLY  47  14.443   9.532  -6.235
 1520    HA3  GLY  47           HA3      GLY  47  14.893   9.233  -4.568
 1521    H    LYS  48           H        LYS  48  16.986   7.382  -5.197
 1522    HA   LYS  48           HA       LYS  48  18.915   9.010  -6.706
 1523    HB2  LYS  48           HB2      LYS  48  19.312   9.425  -4.345
 1524    HB3  LYS  48           HB3      LYS  48  19.291   7.704  -3.998
 1525    HG2  LYS  48           HG2      LYS  48  21.306   7.593  -5.612
 1526    HG3  LYS  48           HG3      LYS  48  21.404   9.337  -5.334
 1527    HD2  LYS  48           HD2      LYS  48  21.529   8.945  -2.924
 1528    HD3  LYS  48           HD3      LYS  48  21.421   7.206  -3.198
 1529    HE2  LYS  48           HE2      LYS  48  23.505   7.413  -4.592
 1530    HE3  LYS  48           HE3      LYS  48  23.643   9.067  -3.997
 1531    HZ1  LYS  48           HZ1      LYS  48  23.579   8.086  -1.707
 1532    HZ2  LYS  48           HZ2      LYS  48  24.969   7.727  -2.610
 1533    HZ3  LYS  48           HZ3      LYS  48  23.750   6.556  -2.425
 1534    H    ARG  49           H        ARG  49  19.162   6.036  -4.841
 1535    HA   ARG  49           HA       ARG  49  18.788   4.083  -6.719
 1536    HB2  ARG  49           HB2      ARG  49  20.691   5.188  -7.947
 1537    HB3  ARG  49           HB3      ARG  49  21.729   4.804  -6.581
 1538    HG2  ARG  49           HG2      ARG  49  21.969   3.216  -8.443
 1539    HG3  ARG  49           HG3      ARG  49  21.423   2.440  -6.953
 1540    HD2  ARG  49           HD2      ARG  49  20.192   1.596  -8.885
 1541    HD3  ARG  49           HD3      ARG  49  19.125   2.457  -7.777
 1542    HE   ARG  49           HE       ARG  49  19.864   4.345  -9.606
 1543   HH11  ARG  49          HH12      ARG  49  18.473   1.139  -9.863
 1544   HH12  ARG  49          HH11      ARG  49  17.501   1.529 -11.254
 1545   HH21  ARG  49          HH22      ARG  49  18.562   4.880 -11.398
 1546   HH22  ARG  49          HH21      ARG  49  17.548   3.662 -12.128
 1547    H    THR  50           H        THR  50  19.366   2.008  -5.867
 1548    HA   THR  50           HA       THR  50  19.438   1.986  -3.026
 1549    HB   THR  50           HB       THR  50  19.547  -0.551  -3.445
 1550    HG1  THR  50           HG1      THR  50  20.210  -0.695  -5.547
 1551   HG21  THR  50          HG21      THR  50  17.241   1.081  -4.516
 1552   HG22  THR  50          HG22      THR  50  17.500   0.636  -2.830
 1553   HG23  THR  50          HG23      THR  50  17.160  -0.612  -4.028
 1554    H    ASP  51           H        ASP  51  21.340   2.604  -2.140
 1555    HA   ASP  51           HA       ASP  51  23.875   1.549  -3.035
 1556    HB2  ASP  51           HB2      ASP  51  23.078   3.228  -0.655
 1557    HB3  ASP  51           HB3      ASP  51  24.716   2.627  -0.872
 1558    H    GLU  52           H        GLU  52  25.169   0.060  -1.937
 1559    HA   GLU  52           HA       GLU  52  23.845  -2.068  -0.638
 1560    HB2  GLU  52           HB2      GLU  52  26.799  -1.432  -0.580
 1561    HB3  GLU  52           HB3      GLU  52  26.058  -2.994  -0.269
 1562    HG2  GLU  52           HG2      GLU  52  25.280  -3.093  -2.577
 1563    HG3  GLU  52           HG3      GLU  52  26.015  -1.521  -2.890
 1564    H    ALA  53           H        ALA  53  25.953   0.509   0.593
 1565    HA   ALA  53           HA       ALA  53  25.828  -0.334   3.311
 1566    HB1  ALA  53           HB1      ALA  53  27.675   1.011   2.428
 1567    HB2  ALA  53           HB2      ALA  53  26.571   2.366   2.190
 1568    HB3  ALA  53           HB3      ALA  53  26.913   1.780   3.819
 1569    H    ALA  54           H        ALA  54  23.705   1.427   1.306
 1570    HA   ALA  54           HA       ALA  54  22.302   2.692   3.512
 1571    HB1  ALA  54           HB1      ALA  54  20.793   3.544   1.813
 1572    HB2  ALA  54           HB2      ALA  54  22.470   3.838   1.342
 1573    HB3  ALA  54           HB3      ALA  54  21.560   2.520   0.597
 1574    H    PHE  55           H        PHE  55  21.965  -0.021   1.320
 1575    HA   PHE  55           HA       PHE  55  19.285  -0.631   1.983
 1576    HB2  PHE  55           HB2      PHE  55  20.966  -1.464   0.035
 1577    HB3  PHE  55           HB3      PHE  55  20.987  -2.870   1.102
 1578    HD1  PHE  55           HD1      PHE  55  18.725  -3.823   1.829
 1579    HD2  PHE  55           HD2      PHE  55  19.225  -1.129  -1.420
 1580    HE1  PHE  55           HE1      PHE  55  16.538  -4.505   0.936
 1581    HE2  PHE  55           HE2      PHE  55  17.051  -1.805  -2.327
 1582    HZ   PHE  55           HZ       PHE  55  15.694  -3.493  -1.144
 1583    H    GLN  56           H        GLN  56  22.317  -1.430   3.493
 1584    HA   GLN  56           HA       GLN  56  21.291  -3.546   5.092
 1585    HB2  GLN  56           HB2      GLN  56  23.298  -3.260   6.463
 1586    HB3  GLN  56           HB3      GLN  56  23.694  -3.293   4.751
 1587    HG2  GLN  56           HG2      GLN  56  23.791  -0.808   4.798
 1588    HG3  GLN  56           HG3      GLN  56  23.582  -0.888   6.548
 1589   HE21  GLN  56          HE21      GLN  56  25.399  -3.231   4.699
 1590   HE22  GLN  56          HE22      GLN  56  26.956  -2.803   5.325
 1591    H    LYS  57           H        LYS  57  21.035  -0.134   5.182
 1592    HA   LYS  57           HA       LYS  57  19.864  -0.167   7.850
 1593    HB2  LYS  57           HB2      LYS  57  20.079   2.111   5.868
 1594    HB3  LYS  57           HB3      LYS  57  19.582   2.241   7.550
 1595    HG2  LYS  57           HG2      LYS  57  21.831   1.422   8.216
 1596    HG3  LYS  57           HG3      LYS  57  22.303   1.480   6.516
 1597    HD2  LYS  57           HD2      LYS  57  21.746   3.896   6.495
 1598    HD3  LYS  57           HD3      LYS  57  21.412   3.802   8.227
 1599    HE2  LYS  57           HE2      LYS  57  23.744   2.965   8.546
 1600    HE3  LYS  57           HE3      LYS  57  24.039   3.297   6.840
 1601    HZ1  LYS  57           HZ1      LYS  57  23.343   5.649   7.353
 1602    HZ2  LYS  57           HZ2      LYS  57  24.820   5.152   8.016
 1603    HZ3  LYS  57           HZ3      LYS  57  23.440   5.239   8.996
 1604    H    LEU  58           H        LEU  58  18.972   0.044   4.469
 1605    HA   LEU  58           HA       LEU  58  16.317   0.858   4.716
 1606    HB2  LEU  58           HB2      LEU  58  17.433   0.887   2.581
 1607    HB3  LEU  58           HB3      LEU  58  17.617  -0.858   2.607
 1608    HG   LEU  58           HG       LEU  58  15.157  -1.104   2.487
 1609   HD11  LEU  58          HD11      LEU  58  13.748   0.769   2.054
 1610   HD12  LEU  58          HD12      LEU  58  14.639   1.081   3.543
 1611   HD13  LEU  58          HD13      LEU  58  15.127   1.871   2.039
 1612   HD21  LEU  58          HD21      LEU  58  16.572  -1.057   0.445
 1613   HD22  LEU  58          HD22      LEU  58  14.906  -0.526   0.186
 1614   HD23  LEU  58          HD23      LEU  58  16.208   0.663   0.291
 1615    H    MET  59           H        MET  59  17.537  -2.478   4.349
 1616    HA   MET  59           HA       MET  59  15.152  -3.832   4.541
 1617    HB2  MET  59           HB2      MET  59  16.977  -5.193   4.092
 1618    HB3  MET  59           HB3      MET  59  17.931  -4.526   5.411
 1619    HG2  MET  59           HG2      MET  59  17.193  -6.859   5.777
 1620    HG3  MET  59           HG3      MET  59  16.672  -5.740   7.034
 1621    HE1  MET  59           HE1      MET  59  15.405  -6.333   3.464
 1622    HE2  MET  59           HE2      MET  59  15.438  -8.022   3.995
 1623    HE3  MET  59           HE3      MET  59  13.888  -7.223   3.683
 1624    H    SER  60           H        SER  60  17.223  -2.870   7.277
 1625    HA   SER  60           HA       SER  60  15.331  -3.790   9.204
 1626    HB2  SER  60           HB2      SER  60  16.911  -2.476  10.772
 1627    HB3  SER  60           HB3      SER  60  17.540  -3.891   9.926
 1628    HG   SER  60           HG       SER  60  18.149  -1.196   9.597
 1629    H    ASN  61           H        ASN  61  15.306  -1.172   7.206
 1630    HA   ASN  61           HA       ASN  61  13.898   0.583   9.050
 1631    HB2  ASN  61           HB2      ASN  61  14.997   0.872   6.311
 1632    HB3  ASN  61           HB3      ASN  61  13.563   1.816   6.702
 1633   HD21  ASN  61          HD21      ASN  61  14.681   3.753   6.588
 1634   HD22  ASN  61          HD22      ASN  61  15.802   4.233   7.814
 1635    H    LEU  62           H        LEU  62  13.312  -1.986   6.915
 1636    HA   LEU  62           HA       LEU  62  10.434  -1.401   6.971
 1637    HB2  LEU  62           HB2      LEU  62  12.139  -3.232   5.334
 1638    HB3  LEU  62           HB3      LEU  62  10.454  -3.635   5.586
 1639    HG   LEU  62           HG       LEU  62  10.618  -2.532   3.503
 1640   HD11  LEU  62          HD11      LEU  62   8.687  -1.929   4.878
 1641   HD12  LEU  62          HD12      LEU  62   9.589  -0.554   5.535
 1642   HD13  LEU  62          HD13      LEU  62   9.171  -0.606   3.819
 1643   HD21  LEU  62          HD21      LEU  62  12.770  -1.467   3.770
 1644   HD22  LEU  62          HD22      LEU  62  11.567  -0.296   3.231
 1645   HD23  LEU  62          HD23      LEU  62  12.083  -0.319   4.919
 1646    H    ASP  63           H        ASP  63  12.499  -4.267   7.305
 1647    HA   ASP  63           HA       ASP  63  10.585  -5.719   8.790
 1648    HB2  ASP  63           HB2      ASP  63  12.279  -6.858   7.477
 1649    HB3  ASP  63           HB3      ASP  63  13.558  -6.148   8.453
 1650    H    SER  64           H        SER  64   9.927  -5.129  10.724
 1651    HA   SER  64           HA       SER  64  11.617  -3.657  12.528
 1652    HB2  SER  64           HB2      SER  64   8.856  -4.827  12.949
 1653    HB3  SER  64           HB3      SER  64   9.655  -3.660  14.004
 1654    HG   SER  64           HG       SER  64   8.501  -3.305  11.486
 1655    H    ASN  65           H        ASN  65  11.061  -6.941  11.884
 1656    HA   ASN  65           HA       ASN  65  11.683  -7.945  14.505
 1657    HB2  ASN  65           HB2      ASN  65  11.897  -9.359  11.833
 1658    HB3  ASN  65           HB3      ASN  65  11.886 -10.123  13.417
 1659   HD21  ASN  65          HD21      ASN  65  10.008  -8.656  10.927
 1660   HD22  ASN  65          HD22      ASN  65   8.449  -9.054  11.580
 1661    H    ARG  66           H        ARG  66  13.380  -6.709  11.824
 1662    HA   ARG  66           HA       ARG  66  15.550  -6.392  11.307
 1663    HB2  ARG  66           HB2      ARG  66  15.901  -6.783  14.282
 1664    HB3  ARG  66           HB3      ARG  66  17.133  -6.142  13.200
 1665    HG2  ARG  66           HG2      ARG  66  15.618  -4.291  12.616
 1666    HG3  ARG  66           HG3      ARG  66  14.445  -4.914  13.776
 1667    HD2  ARG  66           HD2      ARG  66  15.745  -3.084  14.725
 1668    HD3  ARG  66           HD3      ARG  66  16.051  -4.595  15.580
 1669    HE   ARG  66           HE       ARG  66  18.195  -4.706  14.574
 1670   HH11  ARG  66          HH12      ARG  66  16.450  -1.773  13.737
 1671   HH12  ARG  66          HH11      ARG  66  17.899  -0.879  13.370
 1672   HH21  ARG  66          HH22      ARG  66  20.084  -3.519  14.080
 1673   HH22  ARG  66          HH21      ARG  66  19.944  -1.869  13.544
 1674    H    ASP  67           H        ASP  67  14.567  -8.880  10.833
 1675    HA   ASP  67           HA       ASP  67  16.767 -10.717  11.534
 1676    HB2  ASP  67           HB2      ASP  67  14.357 -11.371  12.034
 1677    HB3  ASP  67           HB3      ASP  67  14.097 -11.419  10.294
 1678    H    ASN  68           H        ASN  68  15.603  -8.665   9.245
 1679    HA   ASN  68           HA       ASN  68  16.444  -8.003   7.259
 1680    HB2  ASN  68           HB2      ASN  68  18.309 -10.347   7.595
 1681    HB3  ASN  68           HB3      ASN  68  18.343  -9.281   6.191
 1682   HD21  ASN  68          HD21      ASN  68  19.012  -9.606   9.541
 1683   HD22  ASN  68          HD22      ASN  68  19.895  -8.133   9.736
 1684    H    GLU  69           H        GLU  69  14.236  -9.861   7.645
 1685    HA   GLU  69           HA       GLU  69  13.889 -10.351   4.821
 1686    HB2  GLU  69           HB2      GLU  69  12.880 -12.603   5.224
 1687    HB3  GLU  69           HB3      GLU  69  14.618 -12.530   5.459
 1688    HG2  GLU  69           HG2      GLU  69  14.333 -12.519   7.854
 1689    HG3  GLU  69           HG3      GLU  69  12.579 -12.456   7.670
 1690    H    VAL  70           H        VAL  70  12.170  -9.294   4.310
 1691    HA   VAL  70           HA       VAL  70  10.347  -8.362   6.318
 1692    HB   VAL  70           HB       VAL  70  10.750  -7.825   3.398
 1693   HG11  VAL  70          HG11      VAL  70   8.839  -6.312   3.390
 1694   HG12  VAL  70          HG12      VAL  70   8.330  -7.981   3.640
 1695   HG13  VAL  70          HG13      VAL  70   8.389  -6.864   5.004
 1696   HG21  VAL  70          HG21      VAL  70  11.007  -5.534   4.206
 1697   HG22  VAL  70          HG22      VAL  70  10.636  -6.073   5.845
 1698   HG23  VAL  70          HG23      VAL  70  12.102  -6.639   5.041
 1699    H    ASP  71           H        ASP  71   8.476  -9.167   6.868
 1700    HA   ASP  71           HA       ASP  71   7.350 -11.417   5.400
 1701    HB2  ASP  71           HB2      ASP  71   7.632 -11.344   7.944
 1702    HB3  ASP  71           HB3      ASP  71   6.290 -10.202   7.957
 1703    H    PHE  72           H        PHE  72   4.602 -11.116   5.887
 1704    HA   PHE  72           HA       PHE  72   4.142  -9.816   3.435
 1705    HB2  PHE  72           HB2      PHE  72   2.870 -11.783   4.624
 1706    HB3  PHE  72           HB3      PHE  72   1.840 -10.477   5.204
 1707    HD1  PHE  72           HD1      PHE  72   2.856  -9.140   2.277
 1708    HD2  PHE  72           HD2      PHE  72   0.538 -12.430   3.661
 1709    HE1  PHE  72           HE1      PHE  72   1.653  -9.181   0.133
 1710    HE2  PHE  72           HE2      PHE  72  -0.674 -12.473   1.523
 1711    HZ   PHE  72           HZ       PHE  72  -0.116 -10.850  -0.242
 1712    H    GLN  73           H        GLN  73   2.908  -8.855   6.710
 1713    HA   GLN  73           HA       GLN  73   1.635  -6.545   5.637
 1714    HB2  GLN  73           HB2      GLN  73   1.281  -7.685   7.993
 1715    HB3  GLN  73           HB3      GLN  73   2.519  -6.545   8.500
 1716    HG2  GLN  73           HG2      GLN  73   1.144  -4.719   7.527
 1717    HG3  GLN  73           HG3      GLN  73  -0.140  -5.901   7.287
 1718   HE21  GLN  73          HE21      GLN  73   1.665  -4.049   9.593
 1719   HE22  GLN  73          HE22      GLN  73   0.635  -4.368  10.952
 1720    H    GLU  74           H        GLU  74   4.829  -7.192   6.887
 1721    HA   GLU  74           HA       GLU  74   5.773  -4.545   7.075
 1722    HB2  GLU  74           HB2      GLU  74   6.798  -6.937   7.730
 1723    HB3  GLU  74           HB3      GLU  74   7.624  -6.704   6.197
 1724    HG2  GLU  74           HG2      GLU  74   9.132  -5.803   7.650
 1725    HG3  GLU  74           HG3      GLU  74   8.207  -4.365   7.205
 1726    H    TYR  75           H        TYR  75   5.540  -6.851   4.464
 1727    HA   TYR  75           HA       TYR  75   6.988  -5.406   2.521
 1728    HB2  TYR  75           HB2      TYR  75   6.458  -7.810   2.316
 1729    HB3  TYR  75           HB3      TYR  75   4.749  -7.421   2.168
 1730    HD1  TYR  75           HD2      TYR  75   3.924  -6.255   0.142
 1731    HD2  TYR  75           HD1      TYR  75   7.932  -7.650   0.459
 1732    HE1  TYR  75           HE2      TYR  75   4.177  -6.020  -2.289
 1733    HE2  TYR  75           HE1      TYR  75   8.201  -7.406  -1.984
 1734    HH   TYR  75           HH       TYR  75   6.822  -7.328  -3.989
 1735    H    CYS  76           H        CYS  76   3.648  -5.340   3.582
 1736    HA   CYS  76           HA       CYS  76   2.867  -3.728   1.324
 1737    HB2  CYS  76           HB2      CYS  76   1.213  -4.619   3.686
 1738    HB3  CYS  76           HB3      CYS  76   0.604  -3.992   2.155
 1739    HG   CYS  76           HG       CYS  76   2.307  -6.946   2.524
 1740    H    VAL  77           H        VAL  77   3.391  -3.280   4.804
 1741    HA   VAL  77           HA       VAL  77   2.475  -0.599   4.916
 1742    HB   VAL  77           HB       VAL  77   2.933  -1.825   6.976
 1743   HG11  VAL  77          HG11      VAL  77   4.698  -3.229   6.309
 1744   HG12  VAL  77          HG12      VAL  77   5.747  -1.853   5.944
 1745   HG13  VAL  77          HG13      VAL  77   5.321  -2.220   7.620
 1746   HG21  VAL  77          HG21      VAL  77   3.134   0.616   7.107
 1747   HG22  VAL  77          HG22      VAL  77   4.267  -0.174   8.205
 1748   HG23  VAL  77          HG23      VAL  77   4.847   0.501   6.684
 1749    H    PHE  78           H        PHE  78   5.458  -2.116   3.951
 1750    HA   PHE  78           HA       PHE  78   7.116   0.007   3.391
 1751    HB2  PHE  78           HB2      PHE  78   7.940  -2.171   3.028
 1752    HB3  PHE  78           HB3      PHE  78   6.566  -2.629   2.038
 1753    HD1  PHE  78           HD2      PHE  78   6.459  -2.009  -0.312
 1754    HD2  PHE  78           HD1      PHE  78   9.825  -1.027   2.107
 1755    HE1  PHE  78           HE2      PHE  78   7.784  -1.579  -2.337
 1756    HE2  PHE  78           HE1      PHE  78  11.158  -0.600   0.088
 1757    HZ   PHE  78           HZ       PHE  78  10.141  -0.882  -2.135
 1758    H    LEU  79           H        LEU  79   4.361  -1.244   1.580
 1759    HA   LEU  79           HA       LEU  79   4.710   0.505  -0.629
 1760    HB2  LEU  79           HB2      LEU  79   2.598  -1.436   0.187
 1761    HB3  LEU  79           HB3      LEU  79   2.294  -0.317  -1.127
 1762    HG   LEU  79           HG       LEU  79   4.814  -1.552  -1.600
 1763   HD11  LEU  79          HD11      LEU  79   2.566  -3.467  -1.005
 1764   HD12  LEU  79          HD12      LEU  79   4.067  -3.880  -1.836
 1765   HD13  LEU  79          HD13      LEU  79   4.108  -3.353  -0.156
 1766   HD21  LEU  79          HD21      LEU  79   3.088  -0.554  -3.145
 1767   HD22  LEU  79          HD22      LEU  79   3.835  -2.076  -3.676
 1768   HD23  LEU  79          HD23      LEU  79   2.200  -2.078  -2.981
 1769    H    SER  80           H        SER  80   2.301   0.325   1.963
 1770    HA   SER  80           HA       SER  80   0.914   2.663   1.339
 1771    HB2  SER  80           HB2      SER  80   0.733   2.629   4.041
 1772    HB3  SER  80           HB3      SER  80  -0.221   1.599   2.977
 1773    HG   SER  80           HG       SER  80   1.143  -0.080   3.364
 1774    H    CYS  81           H        CYS  81   3.917   2.147   3.018
 1775    HA   CYS  81           HA       CYS  81   4.368   4.732   3.938
 1776    HB2  CYS  81           HB2      CYS  81   5.991   3.318   4.682
 1777    HB3  CYS  81           HB3      CYS  81   6.118   2.462   3.146
 1778    HG   CYS  81           HG       CYS  81   7.992   3.911   2.079
 1779    H    ILE  82           H        ILE  82   5.372   3.247   0.837
 1780    HA   ILE  82           HA       ILE  82   6.583   5.556  -0.135
 1781    HB   ILE  82           HB       ILE  82   5.260   3.424  -1.832
 1782   HG12  ILE  82          HG12      ILE  82   7.959   3.610  -0.509
 1783   HG13  ILE  82          HG13      ILE  82   6.832   2.257  -0.534
 1784   HG21  ILE  82          HG21      ILE  82   6.746   4.188  -3.575
 1785   HG22  ILE  82          HG22      ILE  82   5.814   5.561  -2.977
 1786   HG23  ILE  82          HG23      ILE  82   7.495   5.350  -2.476
 1787   HD11  ILE  82          HD11      ILE  82   8.486   3.264  -2.841
 1788   HD12  ILE  82          HD12      ILE  82   8.745   1.781  -1.919
 1789   HD13  ILE  82          HD13      ILE  82   7.306   1.943  -2.929
 1790    H    ALA  83           H        ALA  83   3.227   4.444  -0.481
 1791    HA   ALA  83           HA       ALA  83   2.351   6.512  -2.174
 1792    HB1  ALA  83           HB1      ALA  83   1.101   4.432  -1.691
 1793    HB2  ALA  83           HB2      ALA  83   0.718   5.077  -0.095
 1794    HB3  ALA  83           HB3      ALA  83   0.125   5.898  -1.543
 1795    H    MET  84           H        MET  84   2.311   6.254   1.354
 1796    HA   MET  84           HA       MET  84   1.154   8.850   1.758
 1797    HB2  MET  84           HB2      MET  84   0.747   7.143   3.358
 1798    HB3  MET  84           HB3      MET  84   2.461   6.824   3.544
 1799    HG2  MET  84           HG2      MET  84   2.721   9.046   4.586
 1800    HG3  MET  84           HG3      MET  84   0.968   9.255   4.480
 1801    HE1  MET  84           HE1      MET  84   2.123   5.791   4.678
 1802    HE2  MET  84           HE2      MET  84   3.545   6.388   5.570
 1803    HE3  MET  84           HE3      MET  84   2.320   5.361   6.402
 1804    H    MET  85           H        MET  85   4.332   7.550   1.499
 1805    HA   MET  85           HA       MET  85   5.703   9.879   2.328
 1806    HB2  MET  85           HB2      MET  85   6.461   7.404   1.945
 1807    HB3  MET  85           HB3      MET  85   6.829   8.001   0.317
 1808    HG2  MET  85           HG2      MET  85   7.920   9.940   1.814
 1809    HG3  MET  85           HG3      MET  85   8.117   8.574   2.892
 1810    HE1  MET  85           HE1      MET  85  10.237   6.310   1.934
 1811    HE2  MET  85           HE2      MET  85   8.451   6.406   1.898
 1812    HE3  MET  85           HE3      MET  85   9.368   5.993   0.422
 1813    H    CYS  86           H        CYS  86   4.205   8.738  -0.623
 1814    HA   CYS  86           HA       CYS  86   5.003  10.909  -2.294
 1815    HB2  CYS  86           HB2      CYS  86   2.560   9.129  -2.503
 1816    HB3  CYS  86           HB3      CYS  86   3.122  10.229  -3.752
 1817    HG   CYS  86           HG       CYS  86   4.943   7.559  -2.637
 1818    H    ASN  87           H        ASN  87   2.682  10.530   0.228
 1819    HA   ASN  87           HA       ASN  87   0.959  12.651  -0.506
 1820    HB2  ASN  87           HB2      ASN  87   0.275  11.044   1.198
 1821    HB3  ASN  87           HB3      ASN  87   1.606  11.538   2.239
 1822   HD21  ASN  87          HD21      ASN  87  -1.514  12.389   0.976
 1823   HD22  ASN  87          HD22      ASN  87  -1.823  13.688   2.068
 1824    H    GLU  88           H        GLU  88   3.988  12.422   1.224
 1825    HA   GLU  88           HA       GLU  88   4.152  15.158   1.976
 1826    HB2  GLU  88           HB2      GLU  88   6.343  13.100   1.589
 1827    HB3  GLU  88           HB3      GLU  88   6.533  14.650   2.398
 1828    HG2  GLU  88           HG2      GLU  88   5.025  13.986   4.147
 1829    HG3  GLU  88           HG3      GLU  88   4.645  12.488   3.302
 1830    H    PHE  89           H        PHE  89   5.326  13.282  -0.799
 1831    HA   PHE  89           HA       PHE  89   6.579  15.639  -1.952
 1832    HB2  PHE  89           HB2      PHE  89   6.512  12.740  -2.763
 1833    HB3  PHE  89           HB3      PHE  89   7.261  13.992  -3.756
 1834    HD1  PHE  89           HD1      PHE  89   7.477  12.141  -0.595
 1835    HD2  PHE  89           HD2      PHE  89   9.341  14.998  -3.137
 1836    HE1  PHE  89           HE1      PHE  89   9.555  11.938   0.706
 1837    HE2  PHE  89           HE2      PHE  89  11.422  14.799  -1.841
 1838    HZ   PHE  89           HZ       PHE  89  11.531  13.266   0.082
 1839    H    PHE  90           H        PHE  90   4.504  13.145  -3.448
 1840    HA   PHE  90           HA       PHE  90   3.874  14.737  -5.686
 1841    HB2  PHE  90           HB2      PHE  90   3.779  12.269  -5.692
 1842    HB3  PHE  90           HB3      PHE  90   2.398  12.327  -4.601
 1843    HD1  PHE  90           HD2      PHE  90   3.560  12.955  -8.022
 1844    HD2  PHE  90           HD1      PHE  90   0.204  12.900  -5.401
 1845    HE1  PHE  90           HE2      PHE  90   2.047  13.078  -9.959
 1846    HE2  PHE  90           HE1      PHE  90  -1.312  13.021  -7.334
 1847    HZ   PHE  90           HZ       PHE  90  -0.392  13.111  -9.616
 1848    H    GLU  91           H        GLU  91   1.790  13.727  -2.982
 1849    HA   GLU  91           HA       GLU  91  -0.379  15.430  -3.518
 1850    HB2  GLU  91           HB2      GLU  91  -0.698  13.684  -1.967
 1851    HB3  GLU  91           HB3      GLU  91   0.688  14.160  -1.006
 1852    HG2  GLU  91           HG2      GLU  91  -1.341  14.701   0.163
 1853    HG3  GLU  91           HG3      GLU  91  -0.532  16.191  -0.318
 1854    H    GLY  92           H        GLY  92   2.658  15.932  -1.822
 1855    HA2  GLY  92           HA2      GLY  92   3.804  17.868  -1.377
 1856    HA3  GLY  92           HA3      GLY  92   2.737  18.653  -2.532
 1857    H    PHE  93           H        PHE  93   1.928  17.066   0.514
 1858    HA   PHE  93           HA       PHE  93   0.749  19.598   1.422
 1859    HB2  PHE  93           HB2      PHE  93  -0.719  17.557   1.203
 1860    HB3  PHE  93           HB3      PHE  93   0.239  16.800   2.468
 1861    HD1  PHE  93           HD2      PHE  93  -1.278  20.183   2.044
 1862    HD2  PHE  93           HD1      PHE  93  -0.934  16.676   4.422
 1863    HE1  PHE  93           HE2      PHE  93  -2.744  21.195   3.740
 1864    HE2  PHE  93           HE1      PHE  93  -2.400  17.679   6.122
 1865    HZ   PHE  93           HZ       PHE  93  -3.307  19.941   5.782
 1866    HA   PRO  94           HA       PRO  94   4.185  19.227   4.336
 1867    HB2  PRO  94           HB2      PRO  94   5.240  21.634   3.912
 1868    HB3  PRO  94           HB3      PRO  94   5.386  20.368   2.689
 1869    HG2  PRO  94           HG2      PRO  94   3.685  22.791   2.699
 1870    HG3  PRO  94           HG3      PRO  94   4.327  21.873   1.327
 1871    HD2  PRO  94           HD2      PRO  94   1.710  21.685   2.534
 1872    HD3  PRO  94           HD3      PRO  94   2.340  20.804   1.129
 1873    H    ASP  95           H        ASP  95   1.849  19.436   5.536
 1874    HA   ASP  95           HA       ASP  95   2.007  21.880   7.181
 1875    HB2  ASP  95           HB2      ASP  95   0.142  22.075   5.583
 1876    HB3  ASP  95           HB3      ASP  95  -0.537  20.571   6.195
 1877    H    LYS  96           H        LYS  96   0.988  18.526   6.949
 1878    HA   LYS  96           HA       LYS  96   0.740  18.367   9.859
 1879    HB2  LYS  96           HB2      LYS  96  -1.114  17.496   8.481
 1880    HB3  LYS  96           HB3      LYS  96  -0.001  16.392   7.694
 1881    HG2  LYS  96           HG2      LYS  96  -1.188  15.125   9.269
 1882    HG3  LYS  96           HG3      LYS  96   0.415  15.381   9.958
 1883    HD2  LYS  96           HD2      LYS  96  -0.428  17.123  11.392
 1884    HD3  LYS  96           HD3      LYS  96  -2.017  17.032  10.626
 1885    HE2  LYS  96           HE2      LYS  96  -0.671  14.871  12.242
 1886    HE3  LYS  96           HE3      LYS  96  -2.050  15.851  12.740
 1887    HZ1  LYS  96           HZ1      LYS  96  -2.044  13.984  10.426
 1888    HZ2  LYS  96           HZ2      LYS  96  -3.373  14.867  11.002
 1889    HZ3  LYS  96           HZ3      LYS  96  -2.699  13.638  11.951
 1890    H    GLN  97           H        GLN  97   2.834  17.802   7.376
 1891    HA   GLN  97           HA       GLN  97   4.566  16.085   9.000
 1892    HB2  GLN  97           HB2      GLN  97   3.873  15.676   6.078
 1893    HB3  GLN  97           HB3      GLN  97   5.151  14.813   6.921
 1894    HG2  GLN  97           HG2      GLN  97   3.481  13.880   8.462
 1895    HG3  GLN  97           HG3      GLN  97   2.210  14.706   7.563
 1896   HE21  GLN  97          HE21      GLN  97   1.627  13.948   5.534
 1897   HE22  GLN  97          HE22      GLN  97   2.112  12.392   4.957
 1898    HA   PRO  98           HA       PRO  98   8.215  18.429   7.860
 1899    HB2  PRO  98           HB2      PRO  98   8.799  16.412   5.720
 1900    HB3  PRO  98           HB3      PRO  98   9.900  17.166   6.880
 1901    HG2  PRO  98           HG2      PRO  98   8.991  14.702   7.289
 1902    HG3  PRO  98           HG3      PRO  98   9.171  15.840   8.637
 1903    HD2  PRO  98           HD2      PRO  98   6.709  14.857   7.308
 1904    HD3  PRO  98           HD3      PRO  98   6.944  15.434   8.970
 1905    H    ARG  99           H        ARG  99   8.636  20.139   6.571
 1906    HA   ARG  99           HA       ARG  99   6.827  20.488   4.294
 1907    HB2  ARG  99           HB2      ARG  99   6.684  22.128   6.113
 1908    HB3  ARG  99           HB3      ARG  99   8.381  22.527   5.896
 1909    HG2  ARG  99           HG2      ARG  99   7.967  23.510   3.777
 1910    HG3  ARG  99           HG3      ARG  99   6.318  22.884   3.742
 1911    HD2  ARG  99           HD2      ARG  99   7.369  24.877   5.745
 1912    HD3  ARG  99           HD3      ARG  99   6.432  25.290   4.307
 1913    HE   ARG  99           HE       ARG  99   4.964  23.405   5.734
 1914   HH11  ARG  99          HH12      ARG  99   6.157  26.664   6.224
 1915   HH12  ARG  99          HH11      ARG  99   4.810  27.143   7.218
 1916   HH21  ARG  99          HH22      ARG  99   3.229  24.007   7.069
 1917   HH22  ARG  99          HH21      ARG  99   3.159  25.608   7.736
 1918    H    LYS 100           H        LYS 100  10.164  20.168   5.080
 1919    HA   LYS 100           HA       LYS 100  10.995  21.165   2.471
 1920    HB2  LYS 100           HB2      LYS 100  12.521  20.193   4.877
 1921    HB3  LYS 100           HB3      LYS 100  13.307  20.498   3.334
 1922    HG2  LYS 100           HG2      LYS 100  11.755  22.529   4.927
 1923    HG3  LYS 100           HG3      LYS 100  13.514  22.389   4.874
 1924    HD2  LYS 100           HD2      LYS 100  13.449  22.792   2.445
 1925    HD3  LYS 100           HD3      LYS 100  11.698  22.985   2.539
 1926    HE2  LYS 100           HE2      LYS 100  12.730  25.160   2.506
 1927    HE3  LYS 100           HE3      LYS 100  12.028  24.875   4.096
 1928    HZ1  LYS 100           HZ1      LYS 100  14.233  25.875   4.230
 1929    HZ2  LYS 100           HZ2      LYS 100  14.902  24.551   3.409
 1930    HZ3  LYS 100           HZ3      LYS 100  14.215  24.336   4.947
 1931    H    LYS 101           H        LYS 101  10.390  19.761   0.924
 1932    HA   LYS 101           HA       LYS 101  11.261  16.966   1.210
 1933    HB2  LYS 101           HB2      LYS 101   9.233  18.241  -0.625
 1934    HB3  LYS 101           HB3      LYS 101   9.849  16.621  -0.888
 1935    HG2  LYS 101           HG2      LYS 101   7.798  16.347   0.199
 1936    HG3  LYS 101           HG3      LYS 101   9.019  16.073   1.439
 1937    HD2  LYS 101           HD2      LYS 101   7.107  17.452   2.214
 1938    HD3  LYS 101           HD3      LYS 101   8.664  18.268   2.352
 1939    HE2  LYS 101           HE2      LYS 101   6.784  19.683   1.466
 1940    HE3  LYS 101           HE3      LYS 101   8.223  19.621   0.453
 1941    HZ1  LYS 101           HZ1      LYS 101   7.165  18.207  -1.063
 1942    HZ2  LYS 101           HZ2      LYS 101   6.012  19.397  -0.707
 1943    HZ3  LYS 101           HZ3      LYS 101   5.891  17.856  -0.008
  Start of MODEL   19
    1    H1   GLN1897           H1       GLN1897 -18.791 -12.341   2.170
    2    H2   GLN1897           H2       GLN1897 -20.085 -12.364   1.077
    3    H3   GLN1897           H3       GLN1897 -20.271 -11.637   2.595
    4    HA   GLN1897           HA       GLN1897 -18.425 -10.709   0.476
    5    HB2  GLN1897           HB2      GLN1897 -20.923 -10.444   0.036
    6    HB3  GLN1897           HB3      GLN1897 -20.968  -9.386   1.443
    7    HG2  GLN1897           HG2      GLN1897 -18.965  -8.703  -0.630
    8    HG3  GLN1897           HG3      GLN1897 -20.666  -8.499  -1.062
    9   HE21  GLN1897          HE21      GLN1897 -18.590  -6.551  -0.701
   10   HE22  GLN1897          HE22      GLN1897 -19.151  -5.475   0.531
   11    H    ARG1898           H        ARG1898 -17.564  -8.598   0.949
   12    HA   ARG1898           HA       ARG1898 -16.767  -6.920   2.136
   13    HB2  ARG1898           HB2      ARG1898 -18.775  -6.680   3.408
   14    HB3  ARG1898           HB3      ARG1898 -18.332  -8.028   4.438
   15    HG2  ARG1898           HG2      ARG1898 -17.984  -5.641   5.328
   16    HG3  ARG1898           HG3      ARG1898 -16.677  -6.808   5.536
   17    HD2  ARG1898           HD2      ARG1898 -15.681  -4.788   4.790
   18    HD3  ARG1898           HD3      ARG1898 -15.655  -5.910   3.439
   19    HE   ARG1898           HE       ARG1898 -17.473  -3.604   3.708
   20   HH11  ARG1898          HH12      ARG1898 -16.062  -6.092   1.678
   21   HH12  ARG1898          HH11      ARG1898 -16.299  -5.221   0.206
   22   HH21  ARG1898          HH22      ARG1898 -17.787  -2.444   1.744
   23   HH22  ARG1898          HH21      ARG1898 -17.285  -3.147   0.241
   24    H    GLU1899           H        GLU1899 -15.165  -8.343   1.403
   25    HA   GLU1899           HA       GLU1899 -13.382  -9.745   3.046
   26    HB2  GLU1899           HB2      GLU1899 -11.740  -8.794   1.280
   27    HB3  GLU1899           HB3      GLU1899 -13.051  -9.819   0.706
   28    HG2  GLU1899           HG2      GLU1899 -13.515  -6.898   0.874
   29    HG3  GLU1899           HG3      GLU1899 -12.520  -7.480  -0.441
   30    H    LEU1900           H        LEU1900 -14.127  -6.389   2.627
   31    HA   LEU1900           HA       LEU1900 -11.674  -5.293   3.465
   32    HB2  LEU1900           HB2      LEU1900 -14.444  -4.155   3.184
   33    HB3  LEU1900           HB3      LEU1900 -13.146  -3.231   3.897
   34    HG   LEU1900           HG       LEU1900 -13.245  -2.514   1.706
   35   HD11  LEU1900          HD11      LEU1900 -10.990  -2.826   2.364
   36   HD12  LEU1900          HD12      LEU1900 -11.040  -4.527   1.898
   37   HD13  LEU1900          HD13      LEU1900 -11.153  -3.273   0.663
   38   HD21  LEU1900          HD21      LEU1900 -13.351  -5.362   0.842
   39   HD22  LEU1900          HD22      LEU1900 -14.653  -4.171   0.789
   40   HD23  LEU1900          HD23      LEU1900 -13.226  -3.963  -0.229
   41    H    GLU1901           H        GLU1901 -13.821  -7.039   5.272
   42    HA   GLU1901           HA       GLU1901 -13.518  -5.560   7.722
   43    HB2  GLU1901           HB2      GLU1901 -15.445  -7.042   7.465
   44    HB3  GLU1901           HB3      GLU1901 -14.374  -8.426   7.259
   45    HG2  GLU1901           HG2      GLU1901 -13.576  -8.211   9.513
   46    HG3  GLU1901           HG3      GLU1901 -14.488  -6.721   9.735
   47    H    ASP1902           H        ASP1902 -12.302  -8.726   6.604
   48    HA   ASP1902           HA       ASP1902 -10.176  -8.766   8.520
   49    HB2  ASP1902           HB2      ASP1902 -10.772 -10.414   6.064
   50    HB3  ASP1902           HB3      ASP1902  -9.306 -10.649   7.008
   51    H    ALA1903           H        ALA1903 -10.630  -7.381   5.433
   52    HA   ALA1903           HA       ALA1903  -7.969  -7.183   4.528
   53    HB1  ALA1903           HB1      ALA1903 -10.072  -6.714   3.196
   54    HB2  ALA1903           HB2      ALA1903 -10.135  -5.147   4.026
   55    HB3  ALA1903           HB3      ALA1903  -8.755  -5.554   2.995
   56    H    THR1904           H        THR1904  -9.994  -4.591   5.852
   57    HA   THR1904           HA       THR1904  -7.538  -3.088   6.249
   58    HB   THR1904           HB       THR1904  -9.001  -1.096   6.232
   59    HG1  THR1904           HG1      THR1904 -11.156  -1.296   6.011
   60   HG21  THR1904          HG21      THR1904  -9.565  -1.223   3.852
   61   HG22  THR1904          HG22      THR1904  -9.398  -2.977   3.899
   62   HG23  THR1904          HG23      THR1904  -7.987  -1.951   4.161
   63    H    GLU1905           H        GLU1905  -9.488  -4.956   8.112
   64    HA   GLU1905           HA       GLU1905  -9.619  -3.650  10.570
   65    HB2  GLU1905           HB2      GLU1905 -10.336  -5.992  10.201
   66    HB3  GLU1905           HB3      GLU1905  -8.653  -6.456   9.996
   67    HG2  GLU1905           HG2      GLU1905  -9.307  -7.082  12.187
   68    HG3  GLU1905           HG3      GLU1905  -8.223  -5.702  12.322
   69    H    THR1906           H        THR1906  -7.029  -5.412   9.014
   70    HA   THR1906           HA       THR1906  -5.044  -4.786  10.948
   71    HB   THR1906           HB       THR1906  -4.265  -5.673   8.222
   72    HG1  THR1906           HG1      THR1906  -5.383  -7.530   8.305
   73   HG21  THR1906          HG21      THR1906  -2.938  -7.272   9.517
   74   HG22  THR1906          HG22      THR1906  -3.722  -6.728  11.001
   75   HG23  THR1906          HG23      THR1906  -2.675  -5.628  10.100
   76    H    ALA1907           H        ALA1907  -6.471  -2.976   8.493
   77    HA   ALA1907           HA       ALA1907  -4.247  -1.543   7.538
   78    HB1  ALA1907           HB1      ALA1907  -5.847   0.237   6.906
   79    HB2  ALA1907           HB2      ALA1907  -6.373  -1.369   6.370
   80    HB3  ALA1907           HB3      ALA1907  -7.109  -0.620   7.794
   81    H    ASP1908           H        ASP1908  -6.465  -1.002  10.224
   82    HA   ASP1908           HA       ASP1908  -5.402   1.280  11.358
   83    HB2  ASP1908           HB2      ASP1908  -7.417   0.044  12.158
   84    HB3  ASP1908           HB3      ASP1908  -6.361  -1.184  12.841
   85    H    ALA1909           H        ALA1909  -4.260  -2.061  11.630
   86    HA   ALA1909           HA       ALA1909  -2.205  -1.551  13.519
   87    HB1  ALA1909           HB1      ALA1909  -3.152  -3.776  13.172
   88    HB2  ALA1909           HB2      ALA1909  -2.448  -3.824  11.555
   89    HB3  ALA1909           HB3      ALA1909  -1.399  -3.777  12.973
   90    H    MET1910           H        MET1910  -1.841  -2.435  10.053
   91    HA   MET1910           HA       MET1910   0.716  -1.692   9.590
   92    HB2  MET1910           HB2      MET1910  -0.432  -2.629   7.797
   93    HB3  MET1910           HB3      MET1910  -1.745  -1.473   7.889
   94    HG2  MET1910           HG2      MET1910  -0.364   0.259   6.911
   95    HG3  MET1910           HG3      MET1910   1.053  -0.799   6.976
   96    HE1  MET1910           HE1      MET1910  -0.095  -3.649   4.477
   97    HE2  MET1910           HE2      MET1910   1.182  -3.132   5.587
   98    HE3  MET1910           HE3      MET1910  -0.408  -3.585   6.210
   99    H    ASN1911           H        ASN1911  -2.021   0.539   9.786
  100    HA   ASN1911           HA       ASN1911  -0.751   2.866   8.839
  101    HB2  ASN1911           HB2      ASN1911  -3.194   2.562   9.256
  102    HB3  ASN1911           HB3      ASN1911  -2.869   2.626  10.973
  103   HD21  ASN1911          HD21      ASN1911  -3.153   4.388   8.063
  104   HD22  ASN1911          HD22      ASN1911  -3.112   5.955   8.759
  105    H    ARG1912           H        ARG1912  -0.891   1.510  12.125
  106    HA   ARG1912           HA       ARG1912   0.202   3.770  13.411
  107    HB2  ARG1912           HB2      ARG1912   0.448   0.891  14.268
  108    HB3  ARG1912           HB3      ARG1912   0.626   2.303  15.295
  109    HG2  ARG1912           HG2      ARG1912  -1.863   1.178  14.078
  110    HG3  ARG1912           HG3      ARG1912  -1.515   1.545  15.770
  111    HD2  ARG1912           HD2      ARG1912  -1.472   3.948  15.209
  112    HD3  ARG1912           HD3      ARG1912  -1.899   3.545  13.541
  113    HE   ARG1912           HE       ARG1912  -3.694   2.654  15.673
  114   HH11  ARG1912          HH12      ARG1912  -3.074   4.825  12.995
  115   HH12  ARG1912          HH11      ARG1912  -4.720   5.366  12.889
  116   HH21  ARG1912          HH22      ARG1912  -5.836   3.391  15.573
  117   HH22  ARG1912          HH21      ARG1912  -6.280   4.586  14.392
  118    H    GLU1913           H        GLU1913   1.688   0.798  12.203
  119    HA   GLU1913           HA       GLU1913   4.321   1.698  12.906
  120    HB2  GLU1913           HB2      GLU1913   5.106  -0.359  11.935
  121    HB3  GLU1913           HB3      GLU1913   3.700  -0.692  12.934
  122    HG2  GLU1913           HG2      GLU1913   2.305  -0.906  11.002
  123    HG3  GLU1913           HG3      GLU1913   3.623  -0.393   9.938
  124    H    VAL1914           H        VAL1914   2.275   1.791  10.090
  125    HA   VAL1914           HA       VAL1914   4.302   2.261   8.153
  126    HB   VAL1914           HB       VAL1914   1.755   1.644   7.828
  127   HG11  VAL1914          HG11      VAL1914   1.665   4.649   7.698
  128   HG12  VAL1914          HG12      VAL1914   0.393   3.566   7.124
  129   HG13  VAL1914          HG13      VAL1914   0.795   3.620   8.846
  130   HG21  VAL1914          HG21      VAL1914   1.795   2.516   5.561
  131   HG22  VAL1914          HG22      VAL1914   3.173   3.533   5.978
  132   HG23  VAL1914          HG23      VAL1914   3.332   1.776   6.012
  133    H    SER1915           H        SER1915   2.428   4.286  10.289
  134    HA   SER1915           HA       SER1915   3.147   6.752   9.084
  135    HB2  SER1915           HB2      SER1915   1.134   6.319  10.482
  136    HB3  SER1915           HB3      SER1915   2.178   6.265  11.903
  137    HG   SER1915           HG       SER1915   1.151   8.358  11.396
  138    H    SER1916           H        SER1916   4.440   4.691  11.608
  139    HA   SER1916           HA       SER1916   6.666   6.400  12.131
  140    HB2  SER1916           HB2      SER1916   6.309   3.428  12.585
  141    HB3  SER1916           HB3      SER1916   7.548   4.447  13.303
  142    HG   SER1916           HG       SER1916   5.848   4.180  14.755
  143    H    LEU1917           H        LEU1917   5.857   3.880   9.844
  144    HA   LEU1917           HA       LEU1917   8.437   3.084   9.134
  145    HB2  LEU1917           HB2      LEU1917   6.492   1.705   8.637
  146    HB3  LEU1917           HB3      LEU1917   5.944   2.903   7.478
  147    HG   LEU1917           HG       LEU1917   7.688   2.447   5.975
  148   HD11  LEU1917          HD11      LEU1917   9.598   1.041   6.564
  149   HD12  LEU1917          HD12      LEU1917   9.480   2.483   7.580
  150   HD13  LEU1917          HD13      LEU1917   8.971   0.920   8.210
  151   HD21  LEU1917          HD21      LEU1917   7.644   0.056   5.624
  152   HD22  LEU1917          HD22      LEU1917   6.984  -0.176   7.243
  153   HD23  LEU1917          HD23      LEU1917   6.037   0.663   6.016
  154    H    LYS1918           H        LYS1918   6.184   5.057   7.194
  155    HA   LYS1918           HA       LYS1918   8.077   5.494   5.200
  156    HB2  LYS1918           HB2      LYS1918   6.571   6.885   4.162
  157    HB3  LYS1918           HB3      LYS1918   5.523   5.915   5.180
  158    HG2  LYS1918           HG2      LYS1918   6.554   8.622   5.884
  159    HG3  LYS1918           HG3      LYS1918   4.968   8.306   5.169
  160    HD2  LYS1918           HD2      LYS1918   4.215   7.113   7.067
  161    HD3  LYS1918           HD3      LYS1918   5.854   6.958   7.704
  162    HE2  LYS1918           HE2      LYS1918   4.572   8.573   8.944
  163    HE3  LYS1918           HE3      LYS1918   5.924   9.338   8.115
  164    HZ1  LYS1918           HZ1      LYS1918   3.174   9.293   7.019
  165    HZ2  LYS1918           HZ2      LYS1918   4.486  10.229   6.490
  166    HZ3  LYS1918           HZ3      LYS1918   3.755  10.554   7.985
  167    H    ASN1919           H        ASN1919   7.782   6.770   8.302
  168    HA   ASN1919           HA       ASN1919   9.443   9.111   7.861
  169    HB2  ASN1919           HB2      ASN1919   7.497   9.128   9.441
  170    HB3  ASN1919           HB3      ASN1919   8.376   7.992  10.460
  171   HD21  ASN1919          HD21      ASN1919   8.571   9.302  12.205
  172   HD22  ASN1919          HD22      ASN1919   9.535  10.743  12.215
  173    H    LYS1920           H        LYS1920   9.821   5.779   8.884
  174    HA   LYS1920           HA       LYS1920  12.405   6.345  10.091
  175    HB2  LYS1920           HB2      LYS1920  12.536   3.760  10.251
  176    HB3  LYS1920           HB3      LYS1920  11.490   4.627  11.347
  177    HG2  LYS1920           HG2      LYS1920   9.535   3.911  10.124
  178    HG3  LYS1920           HG3      LYS1920  10.509   3.108   8.874
  179    HD2  LYS1920           HD2      LYS1920  11.426   1.598  10.567
  180    HD3  LYS1920           HD3      LYS1920  10.516   2.423  11.832
  181    HE2  LYS1920           HE2      LYS1920   8.442   1.678  10.941
  182    HE3  LYS1920           HE3      LYS1920   9.210   1.101   9.464
  183    HZ1  LYS1920           HZ1      LYS1920   9.532  -0.048  12.186
  184    HZ2  LYS1920           HZ2      LYS1920  10.387  -0.562  10.816
  185    HZ3  LYS1920           HZ3      LYS1920   8.702  -0.747  10.879
  186    H    LEU1921           H        LEU1921  10.945   5.097   7.250
  187    HA   LEU1921           HA       LEU1921  13.322   4.303   5.953
  188    HB2  LEU1921           HB2      LEU1921  10.655   5.202   4.854
  189    HB3  LEU1921           HB3      LEU1921  11.940   4.510   3.883
  190    HG   LEU1921           HG       LEU1921  10.171   3.172   5.894
  191   HD11  LEU1921          HD11      LEU1921   9.581   3.154   3.508
  192   HD12  LEU1921          HD12      LEU1921  11.113   2.352   3.157
  193   HD13  LEU1921          HD13      LEU1921   9.902   1.534   4.147
  194   HD21  LEU1921          HD21      LEU1921  12.449   2.631   6.588
  195   HD22  LEU1921          HD22      LEU1921  11.624   1.229   5.909
  196   HD23  LEU1921          HD23      LEU1921  12.820   2.099   4.949
  197    H    ARG1922           H        ARG1922  11.348   7.263   5.678
  198    HA   ARG1922           HA       ARG1922  13.293   8.488   3.976
  199    HB2  ARG1922           HB2      ARG1922  10.746   8.855   3.993
  200    HB3  ARG1922           HB3      ARG1922  11.058   9.969   5.321
  201    HG2  ARG1922           HG2      ARG1922  12.322  11.404   3.970
  202    HG3  ARG1922           HG3      ARG1922  12.501  10.180   2.710
  203    HD2  ARG1922           HD2      ARG1922  10.918  11.885   2.032
  204    HD3  ARG1922           HD3      ARG1922  10.132  10.318   2.216
  205    HE   ARG1922           HE       ARG1922   9.297  11.179   4.401
  206   HH11  ARG1922          HH12      ARG1922  10.413  13.466   2.004
  207   HH12  ARG1922          HH11      ARG1922   9.218  14.667   2.403
  208   HH21  ARG1922          HH22      ARG1922   7.736  12.774   4.958
  209   HH22  ARG1922          HH21      ARG1922   7.701  14.275   4.075
  210    H    ARG1923           H        ARG1923  13.467   7.915   7.158
  211    HA   ARG1923           HA       ARG1923  14.278  10.286   8.371
  212    HB2  ARG1923           HB2      ARG1923  13.957   8.169   9.582
  213    HB3  ARG1923           HB3      ARG1923  15.393   7.509   8.815
  214    HG2  ARG1923           HG2      ARG1923  16.631   9.492   9.868
  215    HG3  ARG1923           HG3      ARG1923  15.192   9.680  10.871
  216    HD2  ARG1923           HD2      ARG1923  16.978   7.262  10.675
  217    HD3  ARG1923           HD3      ARG1923  16.802   8.347  12.053
  218    HE   ARG1923           HE       ARG1923  14.392   7.519  12.061
  219   HH11  ARG1923          HH12      ARG1923  17.074   5.591  10.886
  220   HH12  ARG1923          HH11      ARG1923  16.368   4.080  11.396
  221   HH21  ARG1923          HH22      ARG1923  13.453   5.531  12.712
  222   HH22  ARG1923          HH21      ARG1923  14.289   4.040  12.373
  223    H    GLY1924           H        GLY1924  16.083   8.073   6.270
  224    HA2  GLY1924           HA2      GLY1924  17.637   9.510   4.810
  225    HA3  GLY1924           HA3      GLY1924  18.361   9.943   6.353
  226    H    ASP1925           H        ASP1925  17.648   7.091   7.212
  227    HA   ASP1925           HA       ASP1925  20.081   5.797   6.657
  228    HB2  ASP1925           HB2      ASP1925  17.408   4.700   7.562
  229    HB3  ASP1925           HB3      ASP1925  18.877   3.737   7.479
  230    H    LEU1926           H        LEU1926  17.139   6.050   4.903
  231    HA   LEU1926           HA       LEU1926  17.421   3.590   3.470
  232    HB2  LEU1926           HB2      LEU1926  15.504   5.867   3.406
  233    HB3  LEU1926           HB3      LEU1926  15.535   4.729   2.075
  234    HG   LEU1926           HG       LEU1926  14.338   4.464   4.720
  235   HD11  LEU1926          HD11      LEU1926  13.143   4.260   2.637
  236   HD12  LEU1926          HD12      LEU1926  14.191   2.940   2.119
  237   HD13  LEU1926          HD13      LEU1926  13.109   2.718   3.492
  238   HD21  LEU1926          HD21      LEU1926  16.063   2.188   3.717
  239   HD22  LEU1926          HD22      LEU1926  16.352   3.136   5.176
  240   HD23  LEU1926          HD23      LEU1926  14.916   2.119   5.055
  241    HA   PRO1927           HA       PRO1927  19.317   5.302  -0.227
  242    HB2  PRO1927           HB2      PRO1927  19.387   3.020  -1.606
  243    HB3  PRO1927           HB3      PRO1927  20.466   3.275  -0.230
  244    HG2  PRO1927           HG2      PRO1927  18.002   1.623  -0.436
  245    HG3  PRO1927           HG3      PRO1927  19.465   1.342   0.521
  246    HD2  PRO1927           HD2      PRO1927  17.038   2.422   1.447
  247    HD3  PRO1927           HD3      PRO1927  18.586   2.411   2.310
  248    H    PHE1928           H        PHE1928  16.245   4.710   0.415
  249    HA   PHE1928           HA       PHE1928  15.310   5.030  -2.314
  250    HB2  PHE1928           HB2      PHE1928  14.547   2.937  -2.513
  251    HB3  PHE1928           HB3      PHE1928  15.322   2.549  -1.007
  252    HD1  PHE1928           HD2      PHE1928  12.270   4.291  -2.073
  253    HD2  PHE1928           HD1      PHE1928  14.006   1.343   0.418
  254    HE1  PHE1928           HE2      PHE1928  10.056   3.800  -1.108
  255    HE2  PHE1928           HE1      PHE1928  11.819   0.854   1.388
  256    HZ   PHE1928           HZ       PHE1928   9.903   1.880   0.609
  257    H    VAL1929           H        VAL1929  13.516   6.224  -2.478
  258    HA   VAL1929           HA       VAL1929  11.806   6.985  -0.319
  259    HB   VAL1929           HB       VAL1929  12.582   9.437  -0.454
  260   HG11  VAL1929          HG11      VAL1929  12.862   7.974   1.517
  261   HG12  VAL1929          HG12      VAL1929  14.424   7.471   0.871
  262   HG13  VAL1929          HG13      VAL1929  14.166   9.153   1.339
  263   HG21  VAL1929          HG21      VAL1929  14.035   9.066  -2.384
  264   HG22  VAL1929          HG22      VAL1929  14.927   9.753  -1.019
  265   HG23  VAL1929          HG23      VAL1929  15.067   8.032  -1.393
  266    H    VAL1930           H        VAL1930  10.273   8.661  -1.042
  267    HA   VAL1930           HA       VAL1930   9.817   8.526  -3.873
  268    HB   VAL1930           HB       VAL1930   8.354  10.152  -1.787
  269   HG11  VAL1930          HG11      VAL1930   6.575  10.305  -3.470
  270   HG12  VAL1930          HG12      VAL1930   8.065  11.066  -4.025
  271   HG13  VAL1930          HG13      VAL1930   7.610   9.474  -4.631
  272   HG21  VAL1930          HG21      VAL1930   6.646   8.390  -1.962
  273   HG22  VAL1930          HG22      VAL1930   7.727   7.474  -3.013
  274   HG23  VAL1930          HG23      VAL1930   8.182   7.783  -1.337
  275    HA   PRO1931           HA       PRO1931  12.037  12.358  -4.698
  276    HB2  PRO1931           HB2      PRO1931  11.862  12.232  -7.362
  277    HB3  PRO1931           HB3      PRO1931  12.921  11.131  -6.469
  278    HG2  PRO1931           HG2      PRO1931  10.185  10.635  -7.584
  279    HG3  PRO1931           HG3      PRO1931  11.621   9.596  -7.644
  280    HD2  PRO1931           HD2      PRO1931   9.590   9.287  -5.828
  281    HD3  PRO1931           HD3      PRO1931  11.263   8.774  -5.530
  282    H    ARG1932           H        ARG1932  11.482  14.357  -6.002
  283    HA   ARG1932           HA       ARG1932   8.936  15.385  -5.616
  284    HB2  ARG1932           HB2      ARG1932  10.869  16.015  -7.862
  285    HB3  ARG1932           HB3      ARG1932   9.493  17.010  -7.406
  286    HG2  ARG1932           HG2      ARG1932  11.414  16.372  -5.261
  287    HG3  ARG1932           HG3      ARG1932  11.990  17.437  -6.543
  288    HD2  ARG1932           HD2      ARG1932  11.051  18.711  -4.688
  289    HD3  ARG1932           HD3      ARG1932  10.114  18.939  -6.161
  290    HE   ARG1932           HE       ARG1932   8.428  17.460  -5.208
  291   HH11  ARG1932          HH12      ARG1932  10.900  18.595  -3.005
  292   HH12  ARG1932          HH11      ARG1932   9.853  18.584  -1.619
  293   HH21  ARG1932          HH22      ARG1932   7.054  17.413  -3.376
  294   HH22  ARG1932          HH21      ARG1932   7.668  17.891  -1.819
  295    H    ARG1933           H        ARG1933   7.011  14.937  -6.488
  296    HA   ARG1933           HA       ARG1933   5.379  13.997  -7.772
  297    HB2  ARG1933           HB2      ARG1933   7.496  14.109  -9.925
  298    HB3  ARG1933           HB3      ARG1933   5.826  13.649 -10.204
  299    HG2  ARG1933           HG2      ARG1933   5.123  15.889  -9.443
  300    HG3  ARG1933           HG3      ARG1933   6.828  16.334  -9.296
  301    HD2  ARG1933           HD2      ARG1933   5.912  17.074 -11.438
  302    HD3  ARG1933           HD3      ARG1933   7.168  15.851 -11.663
  303    HE   ARG1933           HE       ARG1933   4.806  14.449 -11.591
  304   HH11  ARG1933          HH12      ARG1933   6.171  16.988 -13.577
  305   HH12  ARG1933          HH11      ARG1933   5.225  16.570 -14.974
  306   HH21  ARG1933          HH22      ARG1933   3.592  13.874 -13.450
  307   HH22  ARG1933          HH21      ARG1933   3.793  14.791 -14.916
  308    H    MET1934           H        MET1934   5.516  12.027  -9.778
  309    HA   MET1934           HA       MET1934   6.537   9.724  -8.331
  310    HB2  MET1934           HB2      MET1934   5.132   9.936 -11.004
  311    HB3  MET1934           HB3      MET1934   5.581   8.425 -10.230
  312    HG2  MET1934           HG2      MET1934   3.837  10.365  -8.786
  313    HG3  MET1934           HG3      MET1934   3.154   9.342 -10.045
  314    HE1  MET1934           HE1      MET1934   4.627   9.582  -6.485
  315    HE2  MET1934           HE2      MET1934   4.779   7.898  -5.974
  316    HE3  MET1934           HE3      MET1934   5.904   8.565  -7.157
  317    H    ALA1935           H        ALA1935   7.487  11.913 -10.715
  318    HA   ALA1935           HA       ALA1935   9.242  12.158 -12.107
  319    HB1  ALA1935           HB1      ALA1935  10.463  12.023 -10.006
  320    HB2  ALA1935           HB2      ALA1935  10.577  10.270 -10.173
  321    HB3  ALA1935           HB3      ALA1935  11.393  11.322 -11.330
  322    H    MET   1           H1       MET   1   0.986  -5.360 -20.649
  323    HA   MET   1           HA       MET   1   0.404  -4.261 -18.557
  324    HB2  MET   1           HB2      MET   1   3.230  -5.264 -18.903
  325    HB3  MET   1           HB3      MET   1   2.539  -4.900 -17.332
  326    HG2  MET   1           HG2      MET   1   0.833  -6.597 -17.678
  327    HG3  MET   1           HG3      MET   1   1.500  -6.949 -19.272
  328    HE1  MET   1           HE1      MET   1   1.012  -9.113 -16.918
  329    HE2  MET   1           HE2      MET   1   1.604  -9.522 -18.529
  330    HE3  MET   1           HE3      MET   1   2.469 -10.090 -17.101
  331    H    ALA   2           H        ALA   2   1.027  -2.807 -16.902
  332    HA   ALA   2           HA       ALA   2   2.902  -0.677 -17.697
  333    HB1  ALA   2           HB1      ALA   2   0.694   0.083 -16.931
  334    HB2  ALA   2           HB2      ALA   2   0.927  -0.781 -15.411
  335    HB3  ALA   2           HB3      ALA   2   1.965   0.586 -15.817
  336    H    CYS   3           H        CYS   3   4.307   0.063 -15.725
  337    HA   CYS   3           HA       CYS   3   5.715  -2.172 -14.687
  338    HB2  CYS   3           HB2      CYS   3   5.814   0.743 -13.866
  339    HB3  CYS   3           HB3      CYS   3   6.972  -0.492 -13.376
  340    HG   CYS   3           HG       CYS   3   7.500   1.478 -15.690
  341    HA   PRO   4           HA       PRO   4   2.349  -3.208 -12.028
  342    HB2  PRO   4           HB2      PRO   4   4.563  -4.803 -10.797
  343    HB3  PRO   4           HB3      PRO   4   2.924  -5.317 -11.238
  344    HG2  PRO   4           HG2      PRO   4   4.904  -5.987 -12.817
  345    HG3  PRO   4           HG3      PRO   4   3.426  -5.325 -13.540
  346    HD2  PRO   4           HD2      PRO   4   6.054  -3.981 -13.031
  347    HD3  PRO   4           HD3      PRO   4   4.991  -3.876 -14.451
  348    H    LEU   5           H        LEU   5   5.431  -3.161 -10.224
  349    HA   LEU   5           HA       LEU   5   4.091  -2.381  -7.840
  350    HB2  LEU   5           HB2      LEU   5   6.481  -3.576  -8.413
  351    HB3  LEU   5           HB3      LEU   5   6.995  -1.969  -7.948
  352    HG   LEU   5           HG       LEU   5   7.001  -3.621  -6.080
  353   HD11  LEU   5          HD11      LEU   5   5.883  -2.172  -4.454
  354   HD12  LEU   5          HD12      LEU   5   6.884  -1.269  -5.590
  355   HD13  LEU   5          HD13      LEU   5   5.133  -1.286  -5.784
  356   HD21  LEU   5          HD21      LEU   5   5.030  -4.900  -6.740
  357   HD22  LEU   5          HD22      LEU   5   4.882  -4.290  -5.091
  358   HD23  LEU   5          HD23      LEU   5   4.010  -3.501  -6.406
  359    H    GLU   6           H        GLU   6   5.782  -0.686 -10.385
  360    HA   GLU   6           HA       GLU   6   6.111   1.796  -9.170
  361    HB2  GLU   6           HB2      GLU   6   7.064   1.366 -11.355
  362    HB3  GLU   6           HB3      GLU   6   5.462   1.131 -12.043
  363    HG2  GLU   6           HG2      GLU   6   5.030   3.558 -11.285
  364    HG3  GLU   6           HG3      GLU   6   6.786   3.666 -11.168
  365    H    LYS   7           H        LYS   7   3.426   0.525 -11.073
  366    HA   LYS   7           HA       LYS   7   1.760   2.759 -10.899
  367    HB2  LYS   7           HB2      LYS   7   1.178  -0.161 -11.354
  368    HB3  LYS   7           HB3      LYS   7  -0.087   1.059 -11.368
  369    HG2  LYS   7           HG2      LYS   7   2.324   1.311 -13.130
  370    HG3  LYS   7           HG3      LYS   7   0.946   0.316 -13.599
  371    HD2  LYS   7           HD2      LYS   7   0.534   2.400 -14.590
  372    HD3  LYS   7           HD3      LYS   7  -0.482   2.384 -13.152
  373    HE2  LYS   7           HE2      LYS   7   0.485   4.510 -13.156
  374    HE3  LYS   7           HE3      LYS   7   1.443   3.597 -11.991
  375    HZ1  LYS   7           HZ1      LYS   7   3.149   3.289 -13.661
  376    HZ2  LYS   7           HZ2      LYS   7   2.817   4.939 -13.484
  377    HZ3  LYS   7           HZ3      LYS   7   2.206   4.093 -14.820
  378    H    ALA   8           H        ALA   8   2.177   0.020  -8.724
  379    HA   ALA   8           HA       ALA   8  -0.064   0.179  -7.155
  380    HB1  ALA   8           HB1      ALA   8   2.747  -0.338  -6.209
  381    HB2  ALA   8           HB2      ALA   8   1.274  -0.742  -5.329
  382    HB3  ALA   8           HB3      ALA   8   1.629  -1.532  -6.864
  383    H    LEU   9           H        LEU   9   2.942   2.055  -6.613
  384    HA   LEU   9           HA       LEU   9   1.718   3.549  -4.481
  385    HB2  LEU   9           HB2      LEU   9   4.287   4.131  -5.963
  386    HB3  LEU   9           HB3      LEU   9   3.764   4.894  -4.476
  387    HG   LEU   9           HG       LEU   9   5.338   3.347  -3.763
  388   HD11  LEU   9          HD11      LEU   9   3.305   3.180  -2.473
  389   HD12  LEU   9          HD12      LEU   9   2.687   1.942  -3.569
  390   HD13  LEU   9          HD13      LEU   9   4.108   1.611  -2.576
  391   HD21  LEU   9          HD21      LEU   9   5.470   1.037  -4.513
  392   HD22  LEU   9          HD22      LEU   9   4.105   1.305  -5.596
  393   HD23  LEU   9          HD23      LEU   9   5.626   2.160  -5.868
  394    H    ASP  10           H        ASP  10   2.486   4.112  -7.855
  395    HA   ASP  10           HA       ASP  10   1.913   6.817  -8.092
  396    HB2  ASP  10           HB2      ASP  10   2.916   5.545  -9.901
  397    HB3  ASP  10           HB3      ASP  10   1.470   4.558 -10.057
  398    H    VAL  11           H        VAL  11  -0.263   4.045  -8.370
  399    HA   VAL  11           HA       VAL  11  -2.496   5.685  -9.075
  400    HB   VAL  11           HB       VAL  11  -3.799   3.685  -9.129
  401   HG11  VAL  11          HG11      VAL  11  -2.265   4.087 -10.974
  402   HG12  VAL  11          HG12      VAL  11  -1.014   3.157 -10.148
  403   HG13  VAL  11          HG13      VAL  11  -2.488   2.359 -10.700
  404   HG21  VAL  11          HG21      VAL  11  -3.047   2.651  -7.057
  405   HG22  VAL  11          HG22      VAL  11  -2.915   1.516  -8.401
  406   HG23  VAL  11          HG23      VAL  11  -1.472   2.318  -7.779
  407    H    MET  12           H        MET  12  -1.146   4.636  -6.065
  408    HA   MET  12           HA       MET  12  -3.498   4.695  -4.505
  409    HB2  MET  12           HB2      MET  12  -0.643   5.304  -3.749
  410    HB3  MET  12           HB3      MET  12  -1.961   5.292  -2.589
  411    HG2  MET  12           HG2      MET  12  -2.387   2.899  -3.401
  412    HG3  MET  12           HG3      MET  12  -0.781   3.009  -4.115
  413    HE1  MET  12           HE1      MET  12   0.068   1.015  -2.827
  414    HE2  MET  12           HE2      MET  12   0.086   0.847  -1.068
  415    HE3  MET  12           HE3      MET  12  -1.440   0.747  -1.947
  416    H    VAL  13           H        VAL  13  -1.186   7.229  -5.387
  417    HA   VAL  13           HA       VAL  13  -2.855   9.223  -4.089
  418    HB   VAL  13           HB       VAL  13  -1.119  10.854  -4.818
  419   HG11  VAL  13          HG11      VAL  13  -0.097   8.452  -3.307
  420   HG12  VAL  13          HG12      VAL  13   0.634  10.059  -3.298
  421   HG13  VAL  13          HG13      VAL  13  -0.979   9.818  -2.625
  422   HG21  VAL  13          HG21      VAL  13   0.272   8.395  -5.858
  423   HG22  VAL  13          HG22      VAL  13  -0.310   9.766  -6.809
  424   HG23  VAL  13          HG23      VAL  13   1.018   9.982  -5.664
  425    H    SER  14           H        SER  14  -2.405   7.869  -7.205
  426    HA   SER  14           HA       SER  14  -3.450  10.086  -8.694
  427    HB2  SER  14           HB2      SER  14  -1.963   8.483  -9.774
  428    HB3  SER  14           HB3      SER  14  -3.097   7.175  -9.445
  429    HG   SER  14           HG       SER  14  -3.507   7.773 -11.500
  430    H    THR  15           H        THR  15  -4.772   6.824  -8.046
  431    HA   THR  15           HA       THR  15  -7.391   7.404  -8.885
  432    HB   THR  15           HB       THR  15  -6.758   5.348  -6.777
  433    HG1  THR  15           HG1      THR  15  -5.294   4.667  -8.165
  434   HG21  THR  15          HG21      THR  15  -8.654   5.376  -9.134
  435   HG22  THR  15          HG22      THR  15  -9.102   5.592  -7.442
  436   HG23  THR  15          HG23      THR  15  -8.454   4.045  -7.991
  437    H    PHE  16           H        PHE  16  -5.708   7.847  -5.885
  438    HA   PHE  16           HA       PHE  16  -7.625   8.526  -4.060
  439    HB2  PHE  16           HB2      PHE  16  -5.136   8.589  -3.771
  440    HB3  PHE  16           HB3      PHE  16  -5.109  10.101  -4.663
  441    HD1  PHE  16           HD2      PHE  16  -6.162   8.472  -1.545
  442    HD2  PHE  16           HD1      PHE  16  -5.659  12.152  -3.617
  443    HE1  PHE  16           HE2      PHE  16  -6.438   9.696   0.570
  444    HE2  PHE  16           HE1      PHE  16  -5.925  13.383  -1.506
  445    HZ   PHE  16           HZ       PHE  16  -6.317  12.153   0.592
  446    H    HIS  17           H        HIS  17  -6.018  10.965  -6.100
  447    HA   HIS  17           HA       HIS  17  -7.953  12.974  -5.749
  448    HB2  HIS  17           HB2      HIS  17  -5.828  12.543  -7.842
  449    HB3  HIS  17           HB3      HIS  17  -6.889  13.945  -7.870
  450    HD1  HIS  17           HD1      HIS  17  -6.311  15.861  -6.382
  451    HD2  HIS  17           HD2      HIS  17  -4.071  12.448  -5.559
  452    HE1  HIS  17           HE1      HIS  17  -4.555  16.580  -4.743
  453    HE2  HIS  17           HE2      HIS  17  -3.444  14.444  -4.028
  454    H    LYS  18           H        LYS  18  -7.822  10.274  -7.873
  455    HA   LYS  18           HA       LYS  18  -9.447  11.183  -9.968
  456    HB2  LYS  18           HB2      LYS  18  -8.041   9.183 -10.103
  457    HB3  LYS  18           HB3      LYS  18  -9.040   8.383  -8.903
  458    HG2  LYS  18           HG2      LYS  18 -10.933   8.428 -10.454
  459    HG3  LYS  18           HG3      LYS  18  -9.915   9.222 -11.661
  460    HD2  LYS  18           HD2      LYS  18  -8.452   7.304 -11.757
  461    HD3  LYS  18           HD3      LYS  18  -9.322   6.526 -10.434
  462    HE2  LYS  18           HE2      LYS  18 -11.337   6.433 -11.836
  463    HE3  LYS  18           HE3      LYS  18 -10.442   7.180 -13.158
  464    HZ1  LYS  18           HZ1      LYS  18  -9.877   4.526 -11.925
  465    HZ2  LYS  18           HZ2      LYS  18  -8.939   5.260 -13.140
  466    HZ3  LYS  18           HZ3      LYS  18 -10.539   4.812 -13.464
  467    H    TYR  19           H        TYR  19 -10.249   9.930  -6.776
  468    HA   TYR  19           HA       TYR  19 -13.096  10.146  -7.516
  469    HB2  TYR  19           HB2      TYR  19 -11.776   8.119  -5.720
  470    HB3  TYR  19           HB3      TYR  19 -13.518   8.371  -5.771
  471    HD1  TYR  19           HD1      TYR  19 -14.782   7.857  -7.831
  472    HD2  TYR  19           HD2      TYR  19 -10.647   6.947  -7.471
  473    HE1  TYR  19           HE1      TYR  19 -14.948   6.363  -9.774
  474    HE2  TYR  19           HE2      TYR  19 -10.802   5.449  -9.410
  475    HH   TYR  19           HH       TYR  19 -13.585   5.378 -11.446
  476    H    SER  20           H        SER  20 -10.695  10.897  -5.055
  477    HA   SER  20           HA       SER  20 -12.408  11.392  -2.906
  478    HB2  SER  20           HB2      SER  20 -10.564  12.864  -2.048
  479    HB3  SER  20           HB3      SER  20 -10.025  11.264  -2.567
  480    HG   SER  20           HG       SER  20  -8.905  13.371  -3.315
  481    H    GLY  21           H        GLY  21 -11.164  13.685  -5.321
  482    HA2  GLY  21           HA2      GLY  21 -12.798  15.804  -4.203
  483    HA3  GLY  21           HA3      GLY  21 -11.650  15.957  -5.522
  484    H    LYS  22           H        LYS  22 -14.313  13.619  -5.368
  485    HA   LYS  22           HA       LYS  22 -15.437  14.893  -7.749
  486    HB2  LYS  22           HB2      LYS  22 -15.902  12.221  -6.444
  487    HB3  LYS  22           HB3      LYS  22 -16.996  12.848  -7.671
  488    HG2  LYS  22           HG2      LYS  22 -14.930  13.086  -9.144
  489    HG3  LYS  22           HG3      LYS  22 -14.115  12.073  -7.950
  490    HD2  LYS  22           HD2      LYS  22 -15.775  10.321  -8.281
  491    HD3  LYS  22           HD3      LYS  22 -16.638  11.339  -9.437
  492    HE2  LYS  22           HE2      LYS  22 -14.513  11.387 -10.792
  493    HE3  LYS  22           HE3      LYS  22 -13.893  10.136  -9.713
  494    HZ1  LYS  22           HZ1      LYS  22 -16.231   9.962 -11.526
  495    HZ2  LYS  22           HZ2      LYS  22 -15.898   8.802 -10.334
  496    HZ3  LYS  22           HZ3      LYS  22 -14.791   9.063 -11.597
  497    H    GLU  23           H        GLU  23 -16.640  13.590  -4.659
  498    HA   GLU  23           HA       GLU  23 -19.045  15.196  -4.877
  499    HB2  GLU  23           HB2      GLU  23 -19.068  12.871  -3.995
  500    HB3  GLU  23           HB3      GLU  23 -18.109  13.411  -2.626
  501    HG2  GLU  23           HG2      GLU  23 -19.938  14.959  -2.016
  502    HG3  GLU  23           HG3      GLU  23 -20.903  14.273  -3.324
  503    H    GLY  24           H        GLY  24 -16.004  15.257  -3.100
  504    HA2  GLY  24           HA2      GLY  24 -16.681  17.921  -2.143
  505    HA3  GLY  24           HA3      GLY  24 -16.456  16.705  -0.899
  506    H    ASP  25           H        ASP  25 -14.516  16.576  -0.055
  507    HA   ASP  25           HA       ASP  25 -12.510  18.398  -0.951
  508    HB2  ASP  25           HB2      ASP  25 -12.953  18.003   1.432
  509    HB3  ASP  25           HB3      ASP  25 -12.413  16.337   1.256
  510    H    LYS  26           H        LYS  26 -10.498  18.014  -1.747
  511    HA   LYS  26           HA       LYS  26 -10.356  15.757  -3.493
  512    HB2  LYS  26           HB2      LYS  26  -8.151  16.841  -4.193
  513    HB3  LYS  26           HB3      LYS  26  -9.626  17.745  -4.476
  514    HG2  LYS  26           HG2      LYS  26  -7.916  19.230  -3.690
  515    HG3  LYS  26           HG3      LYS  26  -9.157  19.092  -2.454
  516    HD2  LYS  26           HD2      LYS  26  -7.146  18.993  -1.268
  517    HD3  LYS  26           HD3      LYS  26  -7.642  17.306  -1.407
  518    HE2  LYS  26           HE2      LYS  26  -5.309  17.413  -1.883
  519    HE3  LYS  26           HE3      LYS  26  -6.145  17.114  -3.406
  520    HZ1  LYS  26           HZ1      LYS  26  -5.073  19.717  -2.448
  521    HZ2  LYS  26           HZ2      LYS  26  -5.984  19.519  -3.869
  522    HZ3  LYS  26           HZ3      LYS  26  -4.465  18.777  -3.724
  523    H    PHE  27           H        PHE  27  -9.394  16.090  -0.311
  524    HA   PHE  27           HA       PHE  27  -7.261  14.103  -0.651
  525    HB2  PHE  27           HB2      PHE  27  -6.754  16.448   0.266
  526    HB3  PHE  27           HB3      PHE  27  -7.648  15.954   1.697
  527    HD1  PHE  27           HD1      PHE  27  -6.794  14.243   3.149
  528    HD2  PHE  27           HD2      PHE  27  -4.620  15.592  -0.222
  529    HE1  PHE  27           HE1      PHE  27  -4.737  13.240   4.089
  530    HE2  PHE  27           HE2      PHE  27  -2.554  14.588   0.684
  531    HZ   PHE  27           HZ       PHE  27  -2.617  13.409   2.847
  532    H    LYS  28           H        LYS  28 -10.421  14.472   0.271
  533    HA   LYS  28           HA       LYS  28 -10.189  12.253   2.192
  534    HB2  LYS  28           HB2      LYS  28 -12.212  14.502   2.155
  535    HB3  LYS  28           HB3      LYS  28 -12.335  13.087   3.184
  536    HG2  LYS  28           HG2      LYS  28 -10.138  15.147   3.263
  537    HG3  LYS  28           HG3      LYS  28 -11.469  14.990   4.412
  538    HD2  LYS  28           HD2      LYS  28 -10.643  12.656   4.875
  539    HD3  LYS  28           HD3      LYS  28  -9.213  13.061   3.919
  540    HE2  LYS  28           HE2      LYS  28  -8.743  13.375   6.273
  541    HE3  LYS  28           HE3      LYS  28  -8.758  14.937   5.458
  542    HZ1  LYS  28           HZ1      LYS  28 -10.977  15.339   6.300
  543    HZ2  LYS  28           HZ2      LYS  28  -9.932  14.993   7.589
  544    HZ3  LYS  28           HZ3      LYS  28 -11.016  13.815   7.043
  545    H    LEU  29           H        LEU  29 -10.881  10.455   1.347
  546    HA   LEU  29           HA       LEU  29 -13.103  10.525  -0.558
  547    HB2  LEU  29           HB2      LEU  29 -11.368   8.223   0.344
  548    HB3  LEU  29           HB3      LEU  29 -12.706   8.072  -0.776
  549    HG   LEU  29           HG       LEU  29 -11.297   9.940  -2.072
  550   HD11  LEU  29          HD11      LEU  29  -9.235   8.322  -0.583
  551   HD12  LEU  29          HD12      LEU  29  -8.907   9.407  -1.935
  552   HD13  LEU  29          HD13      LEU  29  -9.526  10.055  -0.415
  553   HD21  LEU  29          HD21      LEU  29 -10.760   6.974  -2.155
  554   HD22  LEU  29          HD22      LEU  29 -12.070   7.817  -2.983
  555   HD23  LEU  29          HD23      LEU  29 -10.394   8.129  -3.438
  556    H    ASN  30           H        ASN  30 -15.020  10.686   0.425
  557    HA   ASN  30           HA       ASN  30 -15.505   9.398   2.955
  558    HB2  ASN  30           HB2      ASN  30 -17.678  10.350   2.899
  559    HB3  ASN  30           HB3      ASN  30 -16.608  11.566   2.214
  560   HD21  ASN  30          HD21      ASN  30 -16.813  12.129   0.074
  561   HD22  ASN  30          HD22      ASN  30 -18.138  11.597  -0.909
  562    H    LYS  31           H        LYS  31 -17.870   8.209   2.857
  563    HA   LYS  31           HA       LYS  31 -17.421   5.639   2.065
  564    HB2  LYS  31           HB2      LYS  31 -20.140   6.951   2.039
  565    HB3  LYS  31           HB3      LYS  31 -19.801   5.242   2.258
  566    HG2  LYS  31           HG2      LYS  31 -18.702   5.723   4.394
  567    HG3  LYS  31           HG3      LYS  31 -19.028   7.444   4.158
  568    HD2  LYS  31           HD2      LYS  31 -21.101   5.267   4.422
  569    HD3  LYS  31           HD3      LYS  31 -20.679   6.459   5.652
  570    HE2  LYS  31           HE2      LYS  31 -21.841   7.073   2.933
  571    HE3  LYS  31           HE3      LYS  31 -22.742   7.045   4.446
  572    HZ1  LYS  31           HZ1      LYS  31 -21.505   8.896   5.249
  573    HZ2  LYS  31           HZ2      LYS  31 -22.049   9.298   3.695
  574    HZ3  LYS  31           HZ3      LYS  31 -20.436   8.844   3.940
  575    H    SER  32           H        SER  32 -19.186   8.087   0.166
  576    HA   SER  32           HA       SER  32 -19.877   6.287  -1.910
  577    HB2  SER  32           HB2      SER  32 -21.144   8.353  -1.364
  578    HB3  SER  32           HB3      SER  32 -19.806   9.310  -1.994
  579    HG   SER  32           HG       SER  32 -20.753   9.103  -3.842
  580    H    GLU  33           H        GLU  33 -17.105   8.382  -1.410
  581    HA   GLU  33           HA       GLU  33 -16.294   8.415  -4.162
  582    HB2  GLU  33           HB2      GLU  33 -14.606   8.992  -1.714
  583    HB3  GLU  33           HB3      GLU  33 -14.295   9.519  -3.366
  584    HG2  GLU  33           HG2      GLU  33 -16.567  10.411  -1.608
  585    HG3  GLU  33           HG3      GLU  33 -15.133  11.345  -2.018
  586    H    LEU  34           H        LEU  34 -15.262   6.750  -1.226
  587    HA   LEU  34           HA       LEU  34 -13.292   5.122  -2.387
  588    HB2  LEU  34           HB2      LEU  34 -14.965   4.992   0.076
  589    HB3  LEU  34           HB3      LEU  34 -14.086   3.557  -0.413
  590    HG   LEU  34           HG       LEU  34 -12.766   6.227   0.019
  591   HD11  LEU  34          HD11      LEU  34 -12.007   5.272   2.157
  592   HD12  LEU  34          HD12      LEU  34 -13.756   5.509   2.093
  593   HD13  LEU  34          HD13      LEU  34 -13.076   3.892   1.898
  594   HD21  LEU  34          HD21      LEU  34 -11.562   4.725  -1.435
  595   HD22  LEU  34          HD22      LEU  34 -10.740   4.826   0.125
  596   HD23  LEU  34          HD23      LEU  34 -11.726   3.415  -0.266
  597    H    LYS  35           H        LYS  35 -16.777   4.674  -1.970
  598    HA   LYS  35           HA       LYS  35 -16.921   2.022  -2.795
  599    HB2  LYS  35           HB2      LYS  35 -18.828   3.230  -1.798
  600    HB3  LYS  35           HB3      LYS  35 -18.979   4.192  -3.263
  601    HG2  LYS  35           HG2      LYS  35 -19.701   2.360  -4.531
  602    HG3  LYS  35           HG3      LYS  35 -19.159   1.198  -3.319
  603    HD2  LYS  35           HD2      LYS  35 -21.524   1.310  -3.151
  604    HD3  LYS  35           HD3      LYS  35 -20.877   2.186  -1.765
  605    HE2  LYS  35           HE2      LYS  35 -21.158   4.294  -3.105
  606    HE3  LYS  35           HE3      LYS  35 -22.027   3.322  -4.295
  607    HZ1  LYS  35           HZ1      LYS  35 -22.791   3.690  -1.445
  608    HZ2  LYS  35           HZ2      LYS  35 -23.615   2.710  -2.559
  609    HZ3  LYS  35           HZ3      LYS  35 -23.562   4.390  -2.787
  610    H    GLU  36           H        GLU  36 -17.347   4.948  -4.815
  611    HA   GLU  36           HA       GLU  36 -17.679   3.515  -7.204
  612    HB2  GLU  36           HB2      GLU  36 -18.069   6.029  -6.746
  613    HB3  GLU  36           HB3      GLU  36 -16.357   6.210  -7.121
  614    HG2  GLU  36           HG2      GLU  36 -16.734   5.154  -9.293
  615    HG3  GLU  36           HG3      GLU  36 -18.453   5.034  -8.929
  616    H    LEU  37           H        LEU  37 -14.797   4.780  -5.622
  617    HA   LEU  37           HA       LEU  37 -12.846   4.154  -7.488
  618    HB2  LEU  37           HB2      LEU  37 -12.610   5.371  -5.283
  619    HB3  LEU  37           HB3      LEU  37 -12.610   3.803  -4.502
  620    HG   LEU  37           HG       LEU  37 -10.590   4.203  -6.632
  621   HD11  LEU  37          HD11      LEU  37 -10.545   6.353  -5.473
  622   HD12  LEU  37          HD12      LEU  37 -10.403   5.518  -3.925
  623   HD13  LEU  37          HD13      LEU  37  -9.104   5.402  -5.112
  624   HD21  LEU  37          HD21      LEU  37 -10.738   2.114  -5.370
  625   HD22  LEU  37          HD22      LEU  37  -9.217   2.945  -5.046
  626   HD23  LEU  37          HD23      LEU  37 -10.522   3.005  -3.863
  627    H    LEU  38           H        LEU  38 -14.124   2.129  -4.865
  628    HA   LEU  38           HA       LEU  38 -12.648  -0.167  -5.617
  629    HB2  LEU  38           HB2      LEU  38 -14.928   0.334  -3.750
  630    HB3  LEU  38           HB3      LEU  38 -14.451  -1.311  -4.120
  631    HG   LEU  38           HG       LEU  38 -12.089   0.105  -3.437
  632   HD11  LEU  38          HD11      LEU  38 -13.475   1.768  -2.342
  633   HD12  LEU  38          HD12      LEU  38 -14.320   0.501  -1.454
  634   HD13  LEU  38          HD13      LEU  38 -12.609   0.801  -1.148
  635   HD21  LEU  38          HD21      LEU  38 -12.462  -2.281  -3.134
  636   HD22  LEU  38          HD22      LEU  38 -12.014  -1.518  -1.607
  637   HD23  LEU  38          HD23      LEU  38 -13.696  -1.944  -1.920
  638    H    THR  39           H        THR  39 -15.876   0.981  -6.471
  639    HA   THR  39           HA       THR  39 -16.762  -1.478  -7.570
  640    HB   THR  39           HB       THR  39 -18.496  -0.204  -8.752
  641    HG1  THR  39           HG1      THR  39 -16.753   1.884  -8.273
  642   HG21  THR  39          HG21      THR  39 -19.606   0.766  -6.810
  643   HG22  THR  39          HG22      THR  39 -18.081   0.772  -5.926
  644   HG23  THR  39          HG23      THR  39 -18.828  -0.760  -6.386
  645    H    ARG  40           H        ARG  40 -14.727   1.043  -8.806
  646    HA   ARG  40           HA       ARG  40 -15.031   0.129 -11.547
  647    HB2  ARG  40           HB2      ARG  40 -13.315   2.324 -10.379
  648    HB3  ARG  40           HB3      ARG  40 -13.470   1.971 -12.094
  649    HG2  ARG  40           HG2      ARG  40 -15.612   2.972 -10.236
  650    HG3  ARG  40           HG3      ARG  40 -14.861   3.836 -11.577
  651    HD2  ARG  40           HD2      ARG  40 -16.657   1.421 -11.743
  652    HD3  ARG  40           HD3      ARG  40 -17.036   3.067 -12.248
  653    HE   ARG  40           HE       ARG  40 -15.055   2.684 -13.862
  654   HH11  ARG  40          HH12      ARG  40 -17.397   0.272 -12.855
  655   HH12  ARG  40          HH11      ARG  40 -17.239  -0.675 -14.307
  656   HH21  ARG  40          HH22      ARG  40 -14.845   1.442 -15.774
  657   HH22  ARG  40          HH21      ARG  40 -15.797  -0.003 -15.973
  658    H    GLU  41           H        GLU  41 -12.300   0.569  -9.279
  659    HA   GLU  41           HA       GLU  41 -10.690  -1.095 -11.045
  660    HB2  GLU  41           HB2      GLU  41 -10.130   0.978  -9.050
  661    HB3  GLU  41           HB3      GLU  41  -8.992  -0.359  -9.056
  662    HG2  GLU  41           HG2      GLU  41  -8.079   1.226 -10.482
  663    HG3  GLU  41           HG3      GLU  41  -8.782   0.011 -11.548
  664    H    LEU  42           H        LEU  42 -12.280  -1.375  -7.953
  665    HA   LEU  42           HA       LEU  42 -10.759  -3.866  -7.494
  666    HB2  LEU  42           HB2      LEU  42 -12.028  -2.167  -5.350
  667    HB3  LEU  42           HB3      LEU  42 -11.009  -3.573  -5.116
  668    HG   LEU  42           HG       LEU  42  -9.234  -2.086  -6.388
  669   HD11  LEU  42          HD11      LEU  42 -11.320  -0.284  -6.310
  670   HD12  LEU  42          HD12      LEU  42 -10.349   0.182  -4.911
  671   HD13  LEU  42          HD13      LEU  42  -9.605   0.126  -6.518
  672   HD21  LEU  42          HD21      LEU  42  -9.993  -1.685  -3.498
  673   HD22  LEU  42          HD22      LEU  42  -9.032  -3.020  -4.134
  674   HD23  LEU  42          HD23      LEU  42  -8.412  -1.370  -4.212
  675    HA   PRO  43           HA       PRO  43 -15.547  -4.446  -7.597
  676    HB2  PRO  43           HB2      PRO  43 -15.115  -6.114  -9.981
  677    HB3  PRO  43           HB3      PRO  43 -16.285  -4.818  -9.716
  678    HG2  PRO  43           HG2      PRO  43 -14.185  -4.506 -11.356
  679    HG3  PRO  43           HG3      PRO  43 -14.810  -3.170 -10.372
  680    HD2  PRO  43           HD2      PRO  43 -12.417  -4.912  -9.906
  681    HD3  PRO  43           HD3      PRO  43 -12.591  -3.156  -9.684
  682    H    SER  44           H        SER  44 -12.920  -6.653  -8.408
  683    HA   SER  44           HA       SER  44 -14.175  -9.014  -7.493
  684    HB2  SER  44           HB2      SER  44 -11.209  -8.425  -7.650
  685    HB3  SER  44           HB3      SER  44 -11.977 -10.014  -7.664
  686    HG   SER  44           HG       SER  44 -11.722  -9.651  -9.765
  687    H    PHE  45           H        PHE  45 -12.696  -6.366  -5.894
  688    HA   PHE  45           HA       PHE  45 -12.282  -7.863  -3.420
  689    HB2  PHE  45           HB2      PHE  45 -11.625  -4.971  -4.029
  690    HB3  PHE  45           HB3      PHE  45 -11.158  -5.868  -2.589
  691    HD1  PHE  45           HD1      PHE  45  -9.592  -7.816  -2.825
  692    HD2  PHE  45           HD2      PHE  45 -10.311  -5.054  -5.979
  693    HE1  PHE  45           HE1      PHE  45  -7.519  -8.546  -3.931
  694    HE2  PHE  45           HE2      PHE  45  -8.241  -5.778  -7.092
  695    HZ   PHE  45           HZ       PHE  45  -6.842  -7.526  -6.068
  696    H    LEU  46           H        LEU  46 -14.909  -6.861  -4.749
  697    HA   LEU  46           HA       LEU  46 -15.946  -5.553  -2.329
  698    HB2  LEU  46           HB2      LEU  46 -16.924  -5.392  -5.170
  699    HB3  LEU  46           HB3      LEU  46 -17.819  -4.755  -3.786
  700    HG   LEU  46           HG       LEU  46 -15.094  -3.857  -4.736
  701   HD11  LEU  46          HD11      LEU  46 -16.930  -3.054  -6.114
  702   HD12  LEU  46          HD12      LEU  46 -17.772  -2.475  -4.677
  703   HD13  LEU  46          HD13      LEU  46 -16.244  -1.740  -5.160
  704   HD21  LEU  46          HD21      LEU  46 -15.185  -2.250  -2.922
  705   HD22  LEU  46          HD22      LEU  46 -16.745  -2.896  -2.403
  706   HD23  LEU  46          HD23      LEU  46 -15.297  -3.894  -2.283
  707    H    GLY  47           H        GLY  47 -16.016  -8.434  -4.069
  708    HA2  GLY  47           HA2      GLY  47 -17.303 -10.327  -3.857
  709    HA3  GLY  47           HA3      GLY  47 -17.974  -9.608  -2.401
  710    H    LYS  48           H        LYS  48 -18.172  -7.878  -5.358
  711    HA   LYS  48           HA       LYS  48 -19.766  -7.468  -6.905
  712    HB2  LYS  48           HB2      LYS  48 -21.210  -9.867  -5.772
  713    HB3  LYS  48           HB3      LYS  48 -21.600  -9.048  -7.277
  714    HG2  LYS  48           HG2      LYS  48 -19.003 -10.458  -6.686
  715    HG3  LYS  48           HG3      LYS  48 -20.335 -11.117  -7.638
  716    HD2  LYS  48           HD2      LYS  48 -20.049  -9.462  -9.327
  717    HD3  LYS  48           HD3      LYS  48 -18.924  -8.544  -8.324
  718    HE2  LYS  48           HE2      LYS  48 -17.281 -10.297  -8.477
  719    HE3  LYS  48           HE3      LYS  48 -18.415 -11.339  -9.334
  720    HZ1  LYS  48           HZ1      LYS  48 -16.730 -10.151 -10.746
  721    HZ2  LYS  48           HZ2      LYS  48 -17.552  -8.709 -10.397
  722    HZ3  LYS  48           HZ3      LYS  48 -18.343  -9.961 -11.219
  723    H    ARG  49           H        ARG  49 -21.322  -8.408  -3.833
  724    HA   ARG  49           HA       ARG  49 -23.348  -6.363  -4.265
  725    HB2  ARG  49           HB2      ARG  49 -24.330  -7.291  -2.127
  726    HB3  ARG  49           HB3      ARG  49 -24.267  -8.393  -3.493
  727    HG2  ARG  49           HG2      ARG  49 -22.350  -9.513  -2.561
  728    HG3  ARG  49           HG3      ARG  49 -22.264  -8.339  -1.245
  729    HD2  ARG  49           HD2      ARG  49 -23.308 -10.421  -0.514
  730    HD3  ARG  49           HD3      ARG  49 -24.439  -9.072  -0.435
  731    HE   ARG  49           HE       ARG  49 -24.536 -10.653  -2.866
  732   HH11  ARG  49          HH12      ARG  49 -25.840 -10.115   0.347
  733   HH12  ARG  49          HH11      ARG  49 -27.347 -10.918   0.003
  734   HH21  ARG  49          HH22      ARG  49 -26.503 -11.728  -3.307
  735   HH22  ARG  49          HH21      ARG  49 -27.714 -11.849  -2.064
  736    H    THR  50           H        THR  50 -21.835  -4.581  -4.082
  737    HA   THR  50           HA       THR  50 -21.149  -4.010  -1.292
  738    HB   THR  50           HB       THR  50 -19.774  -2.125  -2.662
  739    HG1  THR  50           HG1      THR  50 -20.146  -2.938  -4.691
  740   HG21  THR  50          HG21      THR  50 -17.831  -3.551  -2.205
  741   HG22  THR  50          HG22      THR  50 -18.905  -4.924  -1.941
  742   HG23  THR  50          HG23      THR  50 -18.964  -3.538  -0.853
  743    H    ASP  51           H        ASP  51 -22.859  -3.060  -0.528
  744    HA   ASP  51           HA       ASP  51 -23.547  -0.442  -1.692
  745    HB2  ASP  51           HB2      ASP  51 -25.161  -2.246   0.121
  746    HB3  ASP  51           HB3      ASP  51 -25.597  -0.574  -0.219
  747    H    GLU  52           H        GLU  52 -24.546   0.844   0.474
  748    HA   GLU  52           HA       GLU  52 -22.277   1.706   1.868
  749    HB2  GLU  52           HB2      GLU  52 -25.143   1.951   2.798
  750    HB3  GLU  52           HB3      GLU  52 -23.794   2.986   3.245
  751    HG2  GLU  52           HG2      GLU  52 -24.834   2.720   0.440
  752    HG3  GLU  52           HG3      GLU  52 -25.381   3.950   1.576
  753    H    ALA  53           H        ALA  53 -24.528  -0.852   2.479
  754    HA   ALA  53           HA       ALA  53 -24.226  -1.281   5.202
  755    HB1  ALA  53           HB1      ALA  53 -24.988  -3.545   4.784
  756    HB2  ALA  53           HB2      ALA  53 -25.906  -2.395   3.813
  757    HB3  ALA  53           HB3      ALA  53 -24.637  -3.365   3.064
  758    H    ALA  54           H        ALA  54 -22.288  -2.661   2.529
  759    HA   ALA  54           HA       ALA  54 -20.531  -4.020   4.366
  760    HB1  ALA  54           HB1      ALA  54 -19.183  -4.530   2.362
  761    HB2  ALA  54           HB2      ALA  54 -20.881  -5.019   2.217
  762    HB3  ALA  54           HB3      ALA  54 -20.310  -3.560   1.402
  763    H    PHE  55           H        PHE  55 -20.517  -1.006   2.556
  764    HA   PHE  55           HA       PHE  55 -17.761  -0.449   2.953
  765    HB2  PHE  55           HB2      PHE  55 -20.116   1.137   2.032
  766    HB3  PHE  55           HB3      PHE  55 -18.632   1.986   2.460
  767    HD1  PHE  55           HD2      PHE  55 -20.129  -0.476   0.182
  768    HD2  PHE  55           HD1      PHE  55 -16.676   1.819   1.117
  769    HE1  PHE  55           HE2      PHE  55 -19.153  -1.063  -1.998
  770    HE2  PHE  55           HE1      PHE  55 -15.693   1.233  -1.059
  771    HZ   PHE  55           HZ       PHE  55 -16.932  -0.209  -2.620
  772    H    GLN  56           H        GLN  56 -20.486  -0.244   4.958
  773    HA   GLN  56           HA       GLN  56 -19.809   1.658   6.840
  774    HB2  GLN  56           HB2      GLN  56 -21.901   0.341   6.807
  775    HB3  GLN  56           HB3      GLN  56 -21.003  -1.078   7.323
  776    HG2  GLN  56           HG2      GLN  56 -20.402   0.119   9.404
  777    HG3  GLN  56           HG3      GLN  56 -21.440   1.450   8.888
  778   HE21  GLN  56          HE21      GLN  56 -21.324  -1.821  10.023
  779   HE22  GLN  56          HE22      GLN  56 -23.006  -1.977  10.392
  780    H    LYS  57           H        LYS  57 -18.611  -1.683   6.515
  781    HA   LYS  57           HA       LYS  57 -16.993  -1.430   8.904
  782    HB2  LYS  57           HB2      LYS  57 -17.951  -3.593   8.528
  783    HB3  LYS  57           HB3      LYS  57 -17.328  -3.651   6.885
  784    HG2  LYS  57           HG2      LYS  57 -15.791  -4.980   7.869
  785    HG3  LYS  57           HG3      LYS  57 -15.014  -3.428   8.164
  786    HD2  LYS  57           HD2      LYS  57 -16.728  -4.972  10.112
  787    HD3  LYS  57           HD3      LYS  57 -14.971  -4.807  10.162
  788    HE2  LYS  57           HE2      LYS  57 -15.212  -2.399  10.515
  789    HE3  LYS  57           HE3      LYS  57 -16.968  -2.564  10.464
  790    HZ1  LYS  57           HZ1      LYS  57 -15.147  -3.784  12.471
  791    HZ2  LYS  57           HZ2      LYS  57 -16.823  -4.034  12.403
  792    HZ3  LYS  57           HZ3      LYS  57 -16.210  -2.486  12.735
  793    H    LEU  58           H        LEU  58 -16.541  -1.483   5.409
  794    HA   LEU  58           HA       LEU  58 -13.759  -1.641   5.312
  795    HB2  LEU  58           HB2      LEU  58 -14.928  -1.841   3.274
  796    HB3  LEU  58           HB3      LEU  58 -15.775  -0.325   3.512
  797    HG   LEU  58           HG       LEU  58 -13.793   0.943   3.039
  798   HD11  LEU  58          HD11      LEU  58 -12.367  -1.711   2.943
  799   HD12  LEU  58          HD12      LEU  58 -11.680  -0.181   2.396
  800   HD13  LEU  58          HD13      LEU  58 -12.114  -0.398   4.090
  801   HD21  LEU  58          HD21      LEU  58 -14.957   0.402   1.080
  802   HD22  LEU  58          HD22      LEU  58 -13.268   0.051   0.720
  803   HD23  LEU  58          HD23      LEU  58 -14.385  -1.263   1.090
  804    H    MET  59           H        MET  59 -15.642   1.315   4.900
  805    HA   MET  59           HA       MET  59 -13.605   3.134   5.381
  806    HB2  MET  59           HB2      MET  59 -15.509   4.042   4.436
  807    HB3  MET  59           HB3      MET  59 -16.586   3.271   5.585
  808    HG2  MET  59           HG2      MET  59 -16.326   4.913   7.134
  809    HG3  MET  59           HG3      MET  59 -14.698   5.318   6.612
  810    HE1  MET  59           HE1      MET  59 -15.089   7.798   3.864
  811    HE2  MET  59           HE2      MET  59 -14.306   7.637   5.442
  812    HE3  MET  59           HE3      MET  59 -14.247   6.303   4.286
  813    H    SER  60           H        SER  60 -15.585   1.384   7.685
  814    HA   SER  60           HA       SER  60 -14.971   2.856  10.002
  815    HB2  SER  60           HB2      SER  60 -16.707   1.048   9.805
  816    HB3  SER  60           HB3      SER  60 -15.377  -0.118   9.806
  817    HG   SER  60           HG       SER  60 -15.083   1.563  11.876
  818    H    ASN  61           H        ASN  61 -13.413   0.021   8.548
  819    HA   ASN  61           HA       ASN  61 -11.446  -0.223  10.623
  820    HB2  ASN  61           HB2      ASN  61 -11.652  -1.436   7.868
  821    HB3  ASN  61           HB3      ASN  61 -10.358  -1.814   8.997
  822   HD21  ASN  61          HD21      ASN  61 -12.301  -3.581   7.837
  823   HD22  ASN  61          HD22      ASN  61 -13.161  -4.292   9.158
  824    H    LEU  62           H        LEU  62 -11.562   1.086   7.387
  825    HA   LEU  62           HA       LEU  62  -8.975   2.131   7.184
  826    HB2  LEU  62           HB2      LEU  62 -11.556   2.635   5.957
  827    HB3  LEU  62           HB3      LEU  62 -10.604   4.102   6.105
  828    HG   LEU  62           HG       LEU  62  -8.777   3.070   4.874
  829   HD11  LEU  62          HD11      LEU  62  -9.126   0.784   5.631
  830   HD12  LEU  62          HD12      LEU  62 -10.601   0.689   4.669
  831   HD13  LEU  62          HD13      LEU  62  -9.041   0.880   3.873
  832   HD21  LEU  62          HD21      LEU  62 -10.502   4.250   3.622
  833   HD22  LEU  62          HD22      LEU  62  -9.871   2.886   2.700
  834   HD23  LEU  62          HD23      LEU  62 -11.439   2.761   3.496
  835    H    ASP  63           H        ASP  63 -11.825   3.489   8.720
  836    HA   ASP  63           HA       ASP  63 -10.726   6.040   9.285
  837    HB2  ASP  63           HB2      ASP  63 -13.175   5.386   9.070
  838    HB3  ASP  63           HB3      ASP  63 -13.043   4.682  10.675
  839    H    SER  64           H        SER  64  -8.682   5.403  10.257
  840    HA   SER  64           HA       SER  64  -8.810   4.022  12.814
  841    HB2  SER  64           HB2      SER  64  -6.494   3.705  12.623
  842    HB3  SER  64           HB3      SER  64  -7.033   3.657  10.945
  843    HG   SER  64           HG       SER  64  -6.459   5.914  10.823
  844    H    ASN  65           H        ASN  65  -8.310   7.209  11.503
  845    HA   ASN  65           HA       ASN  65  -7.597   8.331  14.088
  846    HB2  ASN  65           HB2      ASN  65  -7.451  10.452  12.958
  847    HB3  ASN  65           HB3      ASN  65  -6.672   9.243  11.945
  848   HD21  ASN  65          HD21      ASN  65  -7.842  11.855  11.287
  849   HD22  ASN  65          HD22      ASN  65  -9.010  11.540  10.054
  850    H    ARG  66           H        ARG  66 -10.368   7.445  12.457
  851    HA   ARG  66           HA       ARG  66 -12.573   7.703  12.762
  852    HB2  ARG  66           HB2      ARG  66 -11.562   8.560  15.444
  853    HB3  ARG  66           HB3      ARG  66 -13.264   8.770  15.058
  854    HG2  ARG  66           HG2      ARG  66 -12.971   6.689  16.217
  855    HG3  ARG  66           HG3      ARG  66 -13.414   6.356  14.545
  856    HD2  ARG  66           HD2      ARG  66 -10.940   6.074  14.086
  857    HD3  ARG  66           HD3      ARG  66 -10.702   6.113  15.831
  858    HE   ARG  66           HE       ARG  66 -12.667   4.200  15.180
  859   HH11  ARG  66          HH12      ARG  66  -9.197   4.681  15.029
  860   HH12  ARG  66          HH11      ARG  66  -8.844   2.980  14.971
  861   HH21  ARG  66          HH22      ARG  66 -12.203   1.976  15.120
  862   HH22  ARG  66          HH21      ARG  66 -10.543   1.446  15.041
  863    H    ASP  67           H        ASP  67 -12.420   9.131  11.002
  864    HA   ASP  67           HA       ASP  67 -13.197  11.892  11.696
  865    HB2  ASP  67           HB2      ASP  67 -10.817  11.693  10.849
  866    HB3  ASP  67           HB3      ASP  67 -11.485  11.132   9.320
  867    H    ASN  68           H        ASN  68 -13.611   9.043   9.805
  868    HA   ASN  68           HA       ASN  68 -15.278   8.289   8.457
  869    HB2  ASN  68           HB2      ASN  68 -16.627  10.850   9.271
  870    HB3  ASN  68           HB3      ASN  68 -17.321   9.756   8.094
  871   HD21  ASN  68          HD21      ASN  68 -15.476   8.464  10.629
  872   HD22  ASN  68          HD22      ASN  68 -16.776   7.802  11.554
  873    H    GLU  69           H        GLU  69 -13.202  10.512   7.812
  874    HA   GLU  69           HA       GLU  69 -13.837  10.536   4.958
  875    HB2  GLU  69           HB2      GLU  69 -12.819  12.886   6.578
  876    HB3  GLU  69           HB3      GLU  69 -12.830  12.830   4.822
  877    HG2  GLU  69           HG2      GLU  69 -15.220  12.750   4.777
  878    HG3  GLU  69           HG3      GLU  69 -15.291  12.587   6.532
  879    H    VAL  70           H        VAL  70 -12.276   9.343   4.074
  880    HA   VAL  70           HA       VAL  70 -10.067   8.536   5.650
  881    HB   VAL  70           HB       VAL  70 -10.647   8.024   2.736
  882   HG11  VAL  70          HG11      VAL  70  -8.629   6.703   4.538
  883   HG12  VAL  70          HG12      VAL  70  -9.031   6.200   2.895
  884   HG13  VAL  70          HG13      VAL  70  -8.267   7.765   3.178
  885   HG21  VAL  70          HG21      VAL  70 -11.068   6.345   5.198
  886   HG22  VAL  70          HG22      VAL  70 -12.326   7.112   4.228
  887   HG23  VAL  70          HG23      VAL  70 -11.348   5.814   3.540
  888    H    ASP  71           H        ASP  71  -8.644  10.066   6.133
  889    HA   ASP  71           HA       ASP  71  -7.328  11.771   4.289
  890    HB2  ASP  71           HB2      ASP  71  -7.239  11.959   6.822
  891    HB3  ASP  71           HB3      ASP  71  -6.179  10.551   6.823
  892    H    PHE  72           H        PHE  72  -5.053  11.386   3.518
  893    HA   PHE  72           HA       PHE  72  -4.940   8.952   2.131
  894    HB2  PHE  72           HB2      PHE  72  -3.775  11.054   1.439
  895    HB3  PHE  72           HB3      PHE  72  -2.586  10.749   2.707
  896    HD1  PHE  72           HD2      PHE  72  -3.968   9.541  -0.459
  897    HD2  PHE  72           HD1      PHE  72  -0.952   9.044   2.490
  898    HE1  PHE  72           HE2      PHE  72  -2.778   8.006  -1.951
  899    HE2  PHE  72           HE1      PHE  72   0.241   7.500   1.009
  900    HZ   PHE  72           HZ       PHE  72  -0.637   6.992  -1.190
  901    H    GLN  73           H        GLN  73  -3.758   9.879   5.253
  902    HA   GLN  73           HA       GLN  73  -1.971   7.839   5.855
  903    HB2  GLN  73           HB2      GLN  73  -4.091   8.950   7.711
  904    HB3  GLN  73           HB3      GLN  73  -2.585   8.177   8.184
  905    HG2  GLN  73           HG2      GLN  73  -2.779  10.761   6.658
  906    HG3  GLN  73           HG3      GLN  73  -2.555  10.632   8.401
  907   HE21  GLN  73          HE21      GLN  73  -0.825   8.344   8.248
  908   HE22  GLN  73          HE22      GLN  73   0.691   8.898   7.637
  909    H    GLU  74           H        GLU  74  -5.512   7.869   6.008
  910    HA   GLU  74           HA       GLU  74  -5.656   5.164   6.995
  911    HB2  GLU  74           HB2      GLU  74  -7.986   6.621   5.797
  912    HB3  GLU  74           HB3      GLU  74  -7.952   5.524   7.169
  913    HG2  GLU  74           HG2      GLU  74  -6.891   8.340   7.148
  914    HG3  GLU  74           HG3      GLU  74  -8.423   7.822   7.841
  915    H    TYR  75           H        TYR  75  -5.247   6.685   4.051
  916    HA   TYR  75           HA       TYR  75  -6.701   4.787   2.429
  917    HB2  TYR  75           HB2      TYR  75  -6.534   7.274   1.969
  918    HB3  TYR  75           HB3      TYR  75  -4.862   6.997   1.509
  919    HD1  TYR  75           HD2      TYR  75  -4.462   5.249  -0.357
  920    HD2  TYR  75           HD1      TYR  75  -8.226   7.119   0.387
  921    HE1  TYR  75           HE2      TYR  75  -5.176   4.680  -2.643
  922    HE2  TYR  75           HE1      TYR  75  -8.942   6.545  -1.910
  923    HH   TYR  75           HH       TYR  75  -7.280   4.348  -3.871
  924    H    CYS  76           H        CYS  76  -3.320   5.520   3.242
  925    HA   CYS  76           HA       CYS  76  -2.103   3.841   1.334
  926    HB2  CYS  76           HB2      CYS  76  -0.124   3.893   2.732
  927    HB3  CYS  76           HB3      CYS  76  -0.848   5.479   2.725
  928    HG   CYS  76           HG       CYS  76   0.047   3.737   5.270
  929    H    VAL  77           H        VAL  77  -3.275   3.240   4.574
  930    HA   VAL  77           HA       VAL  77  -2.418   0.512   4.584
  931    HB   VAL  77           HB       VAL  77  -3.596   0.386   6.743
  932   HG11  VAL  77          HG11      VAL  77  -2.161   2.015   7.886
  933   HG12  VAL  77          HG12      VAL  77  -1.298   1.150   6.615
  934   HG13  VAL  77          HG13      VAL  77  -1.845   2.805   6.340
  935   HG21  VAL  77          HG21      VAL  77  -5.462   1.897   6.261
  936   HG22  VAL  77          HG22      VAL  77  -4.586   2.418   7.701
  937   HG23  VAL  77          HG23      VAL  77  -4.344   3.259   6.169
  938    H    PHE  78           H        PHE  78  -5.301   2.238   3.701
  939    HA   PHE  78           HA       PHE  78  -7.169   0.221   3.581
  940    HB2  PHE  78           HB2      PHE  78  -7.824   2.430   2.955
  941    HB3  PHE  78           HB3      PHE  78  -6.567   2.535   1.734
  942    HD1  PHE  78           HD2      PHE  78  -9.363   0.126   2.405
  943    HD2  PHE  78           HD1      PHE  78  -7.389   2.708  -0.339
  944    HE1  PHE  78           HE2      PHE  78 -10.967  -0.516   0.655
  945    HE2  PHE  78           HE1      PHE  78  -8.982   2.078  -2.090
  946    HZ   PHE  78           HZ       PHE  78 -10.780   0.465  -1.599
  947    H    LEU  79           H        LEU  79  -4.858   1.164   1.064
  948    HA   LEU  79           HA       LEU  79  -5.560  -1.047  -0.571
  949    HB2  LEU  79           HB2      LEU  79  -3.471   1.083  -0.730
  950    HB3  LEU  79           HB3      LEU  79  -3.523  -0.237  -1.896
  951    HG   LEU  79           HG       LEU  79  -5.668   1.805  -1.350
  952   HD11  LEU  79          HD11      LEU  79  -5.360   2.289  -3.752
  953   HD12  LEU  79          HD12      LEU  79  -3.923   2.617  -2.784
  954   HD13  LEU  79          HD13      LEU  79  -4.002   1.161  -3.774
  955   HD21  LEU  79          HD21      LEU  79  -7.023   0.594  -2.963
  956   HD22  LEU  79          HD22      LEU  79  -5.760  -0.632  -3.118
  957   HD23  LEU  79          HD23      LEU  79  -6.617  -0.440  -1.589
  958    H    SER  80           H        SER  80  -2.672  -0.343   1.370
  959    HA   SER  80           HA       SER  80  -1.216  -2.526   0.377
  960    HB2  SER  80           HB2      SER  80  -0.961  -1.189   3.068
  961    HB3  SER  80           HB3      SER  80   0.281  -2.133   2.239
  962    HG   SER  80           HG       SER  80  -0.771   0.398   1.576
  963    H    CYS  81           H        CYS  81  -3.628  -2.278   2.871
  964    HA   CYS  81           HA       CYS  81  -3.174  -4.942   3.838
  965    HB2  CYS  81           HB2      CYS  81  -5.338  -2.918   4.341
  966    HB3  CYS  81           HB3      CYS  81  -5.333  -4.522   5.079
  967    HG   CYS  81           HG       CYS  81  -3.106  -1.983   5.566
  968    H    ILE  82           H        ILE  82  -4.841  -3.567   1.172
  969    HA   ILE  82           HA       ILE  82  -6.658  -5.819   0.919
  970    HB   ILE  82           HB       ILE  82  -6.090  -3.801  -1.260
  971   HG12  ILE  82          HG12      ILE  82  -8.172  -3.687   0.926
  972   HG13  ILE  82          HG13      ILE  82  -6.803  -2.595   0.743
  973   HG21  ILE  82          HG21      ILE  82  -8.570  -5.421  -0.687
  974   HG22  ILE  82          HG22      ILE  82  -8.215  -4.472  -2.132
  975   HG23  ILE  82          HG23      ILE  82  -7.297  -5.944  -1.800
  976   HD11  ILE  82          HD11      ILE  82  -8.861  -1.580  -0.042
  977   HD12  ILE  82          HD12      ILE  82  -7.714  -1.796  -1.365
  978   HD13  ILE  82          HD13      ILE  82  -9.081  -2.897  -1.193
  979    H    ALA  83           H        ALA  83  -3.400  -4.926  -0.209
  980    HA   ALA  83           HA       ALA  83  -3.026  -7.046  -1.993
  981    HB1  ALA  83           HB1      ALA  83  -1.284  -5.423  -1.476
  982    HB2  ALA  83           HB2      ALA  83  -1.133  -6.099   0.146
  983    HB3  ALA  83           HB3      ALA  83  -0.706  -7.074  -1.260
  984    H    MET  84           H        MET  84  -2.565  -7.004   1.513
  985    HA   MET  84           HA       MET  84  -2.145  -9.736   1.885
  986    HB2  MET  84           HB2      MET  84  -3.299  -7.635   3.699
  987    HB3  MET  84           HB3      MET  84  -3.090  -9.300   4.224
  988    HG2  MET  84           HG2      MET  84  -0.706  -9.157   3.816
  989    HG3  MET  84           HG3      MET  84  -0.893  -7.512   3.211
  990    HE1  MET  84           HE1      MET  84  -1.463  -5.444   4.676
  991    HE2  MET  84           HE2      MET  84  -2.972  -6.233   5.139
  992    HE3  MET  84           HE3      MET  84  -1.927  -5.527   6.379
  993    H    MET  85           H        MET  85  -5.102  -7.919   1.503
  994    HA   MET  85           HA       MET  85  -6.845 -10.113   2.067
  995    HB2  MET  85           HB2      MET  85  -7.618  -7.783   2.282
  996    HB3  MET  85           HB3      MET  85  -7.371  -7.541   0.559
  997    HG2  MET  85           HG2      MET  85  -9.005  -9.808   0.788
  998    HG3  MET  85           HG3      MET  85  -9.637  -8.612   1.923
  999    HE1  MET  85           HE1      MET  85 -10.790  -5.710  -0.138
 1000    HE2  MET  85           HE2      MET  85 -11.178  -6.730   1.255
 1001    HE3  MET  85           HE3      MET  85  -9.571  -5.988   1.118
 1002    H    CYS  86           H        CYS  86  -5.481  -8.662  -0.866
 1003    HA   CYS  86           HA       CYS  86  -6.892 -10.165  -2.759
 1004    HB2  CYS  86           HB2      CYS  86  -5.560  -8.170  -3.309
 1005    HB3  CYS  86           HB3      CYS  86  -4.082  -9.058  -2.955
 1006    HG   CYS  86           HG       CYS  86  -4.968 -11.025  -5.035
 1007    H    ASN  87           H        ASN  87  -4.214 -11.045  -0.722
 1008    HA   ASN  87           HA       ASN  87  -3.191 -13.252  -2.085
 1009    HB2  ASN  87           HB2      ASN  87  -2.177 -12.393  -0.032
 1010    HB3  ASN  87           HB3      ASN  87  -3.587 -12.885   0.897
 1011   HD21  ASN  87          HD21      ASN  87  -2.049 -14.765  -1.659
 1012   HD22  ASN  87          HD22      ASN  87  -1.525 -16.057  -0.634
 1013    H    GLU  88           H        GLU  88  -6.070 -12.897  -0.115
 1014    HA   GLU  88           HA       GLU  88  -6.927 -15.522   0.149
 1015    HB2  GLU  88           HB2      GLU  88  -7.941 -13.297   1.027
 1016    HB3  GLU  88           HB3      GLU  88  -8.803 -13.257  -0.503
 1017    HG2  GLU  88           HG2      GLU  88 -10.308 -14.198   0.991
 1018    HG3  GLU  88           HG3      GLU  88  -9.649 -15.579   0.114
 1019    H    PHE  89           H        PHE  89  -7.552 -13.208  -2.454
 1020    HA   PHE  89           HA       PHE  89  -8.984 -15.115  -4.070
 1021    HB2  PHE  89           HB2      PHE  89  -7.914 -12.377  -4.810
 1022    HB3  PHE  89           HB3      PHE  89  -9.119 -13.297  -5.698
 1023    HD1  PHE  89           HD1      PHE  89 -11.394 -13.506  -4.852
 1024    HD2  PHE  89           HD2      PHE  89  -8.476 -11.177  -2.812
 1025    HE1  PHE  89           HE1      PHE  89 -13.178 -12.407  -3.561
 1026    HE2  PHE  89           HE2      PHE  89 -10.252 -10.077  -1.515
 1027    HZ   PHE  89           HZ       PHE  89 -12.606 -10.691  -1.889
 1028    H    PHE  90           H        PHE  90  -5.724 -13.973  -3.781
 1029    HA   PHE  90           HA       PHE  90  -4.807 -14.564  -6.382
 1030    HB2  PHE  90           HB2      PHE  90  -3.692 -13.081  -4.659
 1031    HB3  PHE  90           HB3      PHE  90  -3.143 -14.550  -3.862
 1032    HD1  PHE  90           HD1      PHE  90  -3.179 -13.091  -7.299
 1033    HD2  PHE  90           HD2      PHE  90  -1.000 -15.212  -4.321
 1034    HE1  PHE  90           HE1      PHE  90  -1.207 -13.118  -8.768
 1035    HE2  PHE  90           HE2      PHE  90   0.977 -15.244  -5.787
 1036    HZ   PHE  90           HZ       PHE  90   0.874 -14.197  -8.014
 1037    H    GLU  91           H        GLU  91  -4.856 -16.452  -3.388
 1038    HA   GLU  91           HA       GLU  91  -3.874 -18.783  -4.851
 1039    HB2  GLU  91           HB2      GLU  91  -4.433 -18.314  -1.923
 1040    HB3  GLU  91           HB3      GLU  91  -4.006 -19.891  -2.575
 1041    HG2  GLU  91           HG2      GLU  91  -1.891 -18.970  -3.397
 1042    HG3  GLU  91           HG3      GLU  91  -2.317 -17.403  -2.714
 1043    H    GLY  92           H        GLY  92  -6.704 -17.274  -4.490
 1044    HA2  GLY  92           HA2      GLY  92  -8.860 -17.856  -4.967
 1045    HA3  GLY  92           HA3      GLY  92  -8.232 -19.402  -5.527
 1046    H    PHE  93           H        PHE  93  -8.079 -18.006  -2.279
 1047    HA   PHE  93           HA       PHE  93  -9.327 -20.397  -1.236
 1048    HB2  PHE  93           HB2      PHE  93  -7.672 -18.190  -0.099
 1049    HB3  PHE  93           HB3      PHE  93  -8.713 -19.113   0.969
 1050    HD1  PHE  93           HD2      PHE  93  -8.537 -21.779   0.408
 1051    HD2  PHE  93           HD1      PHE  93  -5.493 -18.861  -0.130
 1052    HE1  PHE  93           HE2      PHE  93  -6.828 -23.545   0.551
 1053    HE2  PHE  93           HE1      PHE  93  -3.777 -20.619   0.014
 1054    HZ   PHE  93           HZ       PHE  93  -4.443 -22.964   0.354
 1055    HA   PRO  94           HA       PRO  94 -13.067 -17.977  -0.692
 1056    HB2  PRO  94           HB2      PRO  94 -14.716 -20.057  -0.282
 1057    HB3  PRO  94           HB3      PRO  94 -14.118 -19.650  -1.894
 1058    HG2  PRO  94           HG2      PRO  94 -13.256 -21.820  -0.044
 1059    HG3  PRO  94           HG3      PRO  94 -13.373 -21.828  -1.812
 1060    HD2  PRO  94           HD2      PRO  94 -11.034 -21.470  -0.337
 1061    HD3  PRO  94           HD3      PRO  94 -11.250 -21.059  -2.048
 1062    H    ASP  95           H        ASP  95 -12.154 -17.107   1.245
 1063    HA   ASP  95           HA       ASP  95 -12.053 -16.673   3.473
 1064    HB2  ASP  95           HB2      ASP  95 -14.220 -18.782   3.583
 1065    HB3  ASP  95           HB3      ASP  95 -13.621 -17.959   5.019
 1066    H    LYS  96           H        LYS  96 -10.109 -18.034   2.417
 1067    HA   LYS  96           HA       LYS  96  -8.512 -19.604   2.487
 1068    HB2  LYS  96           HB2      LYS  96  -7.368 -19.818   4.568
 1069    HB3  LYS  96           HB3      LYS  96  -7.977 -18.182   4.422
 1070    HG2  LYS  96           HG2      LYS  96  -9.805 -18.740   5.960
 1071    HG3  LYS  96           HG3      LYS  96  -9.152 -20.373   6.121
 1072    HD2  LYS  96           HD2      LYS  96  -7.066 -19.462   6.998
 1073    HD3  LYS  96           HD3      LYS  96  -7.693 -17.824   6.807
 1074    HE2  LYS  96           HE2      LYS  96  -9.481 -18.343   8.410
 1075    HE3  LYS  96           HE3      LYS  96  -8.807 -19.960   8.622
 1076    HZ1  LYS  96           HZ1      LYS  96  -6.760 -18.958   9.429
 1077    HZ2  LYS  96           HZ2      LYS  96  -8.079 -18.473  10.377
 1078    HZ3  LYS  96           HZ3      LYS  96  -7.416 -17.405   9.236
 1079    H    GLN  97           H        GLN  97  -7.752 -21.686   3.979
 1080    HA   GLN  97           HA       GLN  97 -10.040 -23.471   4.258
 1081    HB2  GLN  97           HB2      GLN  97  -9.340 -23.526   1.857
 1082    HB3  GLN  97           HB3      GLN  97  -7.765 -24.106   2.374
 1083    HG2  GLN  97           HG2      GLN  97  -8.752 -26.118   3.262
 1084    HG3  GLN  97           HG3      GLN  97 -10.369 -25.525   2.879
 1085   HE21  GLN  97          HE21      GLN  97 -10.809 -27.285   1.545
 1086   HE22  GLN  97          HE22      GLN  97 -10.071 -27.457  -0.017
 1087    HA   PRO  98           HA       PRO  98  -7.153 -24.748   7.411
 1088    HB2  PRO  98           HB2      PRO  98  -8.971 -25.773   9.074
 1089    HB3  PRO  98           HB3      PRO  98  -8.917 -24.039   8.760
 1090    HG2  PRO  98           HG2      PRO  98 -10.801 -26.095   7.715
 1091    HG3  PRO  98           HG3      PRO  98 -11.112 -24.410   8.167
 1092    HD2  PRO  98           HD2      PRO  98 -10.674 -25.395   5.567
 1093    HD3  PRO  98           HD3      PRO  98 -10.683 -23.692   6.064
 1094    H    ARG  99           H        ARG  99  -7.706 -27.043   8.923
 1095    HA   ARG  99           HA       ARG  99  -7.852 -29.300   9.022
 1096    HB2  ARG  99           HB2      ARG  99  -8.389 -29.222   6.052
 1097    HB3  ARG  99           HB3      ARG  99  -8.432 -30.667   7.048
 1098    HG2  ARG  99           HG2      ARG  99 -10.213 -28.282   7.482
 1099    HG3  ARG  99           HG3      ARG  99 -10.659 -29.683   6.511
 1100    HD2  ARG  99           HD2      ARG  99 -11.612 -30.063   8.623
 1101    HD3  ARG  99           HD3      ARG  99 -10.177 -31.081   8.572
 1102    HE   ARG  99           HE       ARG  99  -9.824 -28.477   9.796
 1103   HH11  ARG  99          HH12      ARG  99 -10.576 -31.862  10.293
 1104   HH12  ARG  99          HH11      ARG  99 -10.094 -31.853  11.964
 1105   HH21  ARG  99          HH22      ARG  99  -9.239 -28.441  11.996
 1106   HH22  ARG  99          HH21      ARG  99  -9.351 -29.899  12.945
 1107    H    LYS 100           H        LYS 100  -6.601 -29.668   5.786
 1108    HA   LYS 100           HA       LYS 100  -3.913 -30.003   6.918
 1109    HB2  LYS 100           HB2      LYS 100  -5.410 -31.990   5.216
 1110    HB3  LYS 100           HB3      LYS 100  -3.669 -32.051   5.448
 1111    HG2  LYS 100           HG2      LYS 100  -4.086 -32.210   7.909
 1112    HG3  LYS 100           HG3      LYS 100  -5.806 -32.366   7.544
 1113    HD2  LYS 100           HD2      LYS 100  -5.361 -34.371   6.232
 1114    HD3  LYS 100           HD3      LYS 100  -3.632 -34.203   6.539
 1115    HE2  LYS 100           HE2      LYS 100  -4.082 -34.428   8.960
 1116    HE3  LYS 100           HE3      LYS 100  -5.784 -34.699   8.591
 1117    HZ1  LYS 100           HZ1      LYS 100  -3.512 -36.412   7.734
 1118    HZ2  LYS 100           HZ2      LYS 100  -5.132 -36.666   7.310
 1119    HZ3  LYS 100           HZ3      LYS 100  -4.655 -36.786   8.932
 1120    H    LYS 101           H        LYS 101  -5.217 -27.949   5.184
 1121    HA   LYS 101           HA       LYS 101  -3.664 -28.264   2.723
 1122    HB2  LYS 101           HB2      LYS 101  -5.884 -26.414   3.541
 1123    HB3  LYS 101           HB3      LYS 101  -4.841 -26.003   2.189
 1124    HG2  LYS 101           HG2      LYS 101  -6.788 -27.040   1.317
 1125    HG3  LYS 101           HG3      LYS 101  -5.454 -28.178   1.141
 1126    HD2  LYS 101           HD2      LYS 101  -6.211 -29.363   3.151
 1127    HD3  LYS 101           HD3      LYS 101  -7.556 -28.228   3.306
 1128    HE2  LYS 101           HE2      LYS 101  -8.316 -30.271   2.254
 1129    HE3  LYS 101           HE3      LYS 101  -8.384 -28.937   1.103
 1130    HZ1  LYS 101           HZ1      LYS 101  -6.202 -30.949   1.251
 1131    HZ2  LYS 101           HZ2      LYS 101  -6.340 -29.710   0.102
 1132    HZ3  LYS 101           HZ3      LYS 101  -7.472 -30.972   0.129
 1133    H    MET   1           H1       MET   1  -2.560   3.424 -19.214
 1134    HA   MET   1           HA       MET   1  -3.120   1.513 -20.501
 1135    HB2  MET   1           HB2      MET   1  -1.041   0.779 -18.424
 1136    HB3  MET   1           HB3      MET   1  -1.214   0.044 -20.009
 1137    HG2  MET   1           HG2      MET   1   0.582   1.514 -20.205
 1138    HG3  MET   1           HG3      MET   1  -0.773   2.345 -20.966
 1139    HE1  MET   1           HE1      MET   1   1.376   5.219 -19.346
 1140    HE2  MET   1           HE2      MET   1   2.002   3.703 -19.996
 1141    HE3  MET   1           HE3      MET   1   0.718   4.564 -20.847
 1142    H    ALA   2           H        ALA   2  -2.560   0.365 -17.183
 1143    HA   ALA   2           HA       ALA   2  -4.556  -1.743 -17.626
 1144    HB1  ALA   2           HB1      ALA   2  -2.318  -2.485 -16.944
 1145    HB2  ALA   2           HB2      ALA   2  -2.424  -1.476 -15.501
 1146    HB3  ALA   2           HB3      ALA   2  -3.516  -2.847 -15.700
 1147    H    CYS   3           H        CYS   3  -5.816  -2.251 -15.505
 1148    HA   CYS   3           HA       CYS   3  -7.158   0.097 -14.635
 1149    HB2  CYS   3           HB2      CYS   3  -7.229  -2.715 -13.513
 1150    HB3  CYS   3           HB3      CYS   3  -8.356  -1.423 -13.098
 1151    HG   CYS   3           HG       CYS   3  -9.099  -3.594 -15.106
 1152    HA   PRO   4           HA       PRO   4  -3.622   1.342 -12.325
 1153    HB2  PRO   4           HB2      PRO   4  -5.720   3.104 -11.142
 1154    HB3  PRO   4           HB3      PRO   4  -4.107   3.532 -11.730
 1155    HG2  PRO   4           HG2      PRO   4  -6.178   4.078 -13.235
 1156    HG3  PRO   4           HG3      PRO   4  -4.761   3.304 -13.980
 1157    HD2  PRO   4           HD2      PRO   4  -7.368   2.082 -13.153
 1158    HD3  PRO   4           HD3      PRO   4  -6.409   1.801 -14.621
 1159    H    LEU   5           H        LEU   5  -6.571   1.530 -10.327
 1160    HA   LEU   5           HA       LEU   5  -5.092   0.977  -7.960
 1161    HB2  LEU   5           HB2      LEU   5  -7.511   2.135  -8.514
 1162    HB3  LEU   5           HB3      LEU   5  -7.994   0.588  -7.838
 1163    HG   LEU   5           HG       LEU   5  -7.882   2.449  -6.185
 1164   HD11  LEU   5          HD11      LEU   5  -6.680   1.155  -4.488
 1165   HD12  LEU   5          HD12      LEU   5  -7.776   0.161  -5.454
 1166   HD13  LEU   5          HD13      LEU   5  -6.039   0.114  -5.763
 1167   HD21  LEU   5          HD21      LEU   5  -5.927   3.607  -7.071
 1168   HD22  LEU   5          HD22      LEU   5  -5.698   3.161  -5.379
 1169   HD23  LEU   5          HD23      LEU   5  -4.913   2.224  -6.653
 1170    H    GLU   6           H        GLU   6  -6.989  -0.948 -10.191
 1171    HA   GLU   6           HA       GLU   6  -7.243  -3.303  -8.718
 1172    HB2  GLU   6           HB2      GLU   6  -8.329  -3.061 -10.873
 1173    HB3  GLU   6           HB3      GLU   6  -6.771  -2.929 -11.681
 1174    HG2  GLU   6           HG2      GLU   6  -6.320  -5.270 -10.707
 1175    HG3  GLU   6           HG3      GLU   6  -8.065  -5.332 -10.461
 1176    H    LYS   7           H        LYS   7  -4.665  -2.260 -10.911
 1177    HA   LYS   7           HA       LYS   7  -3.020  -4.494 -10.615
 1178    HB2  LYS   7           HB2      LYS   7  -2.444  -1.643 -11.408
 1179    HB3  LYS   7           HB3      LYS   7  -1.189  -2.877 -11.374
 1180    HG2  LYS   7           HG2      LYS   7  -3.713  -3.275 -12.939
 1181    HG3  LYS   7           HG3      LYS   7  -2.358  -2.359 -13.598
 1182    HD2  LYS   7           HD2      LYS   7  -2.029  -4.537 -14.387
 1183    HD3  LYS   7           HD3      LYS   7  -0.923  -4.393 -13.022
 1184    HE2  LYS   7           HE2      LYS   7  -1.913  -6.489 -12.753
 1185    HE3  LYS   7           HE3      LYS   7  -2.786  -5.447 -11.632
 1186    HZ1  LYS   7           HZ1      LYS   7  -4.593  -5.284 -13.209
 1187    HZ2  LYS   7           HZ2      LYS   7  -4.253  -6.917 -12.907
 1188    HZ3  LYS   7           HZ3      LYS   7  -3.732  -6.201 -14.346
 1189    H    ALA   8           H        ALA   8  -3.237  -1.530  -8.728
 1190    HA   ALA   8           HA       ALA   8  -0.931  -1.580  -7.271
 1191    HB1  ALA   8           HB1      ALA   8  -3.674  -0.922  -6.216
 1192    HB2  ALA   8           HB2      ALA   8  -2.144  -0.455  -5.474
 1193    HB3  ALA   8           HB3      ALA   8  -2.586   0.181  -7.058
 1194    H    LEU   9           H        LEU   9  -3.922  -3.356  -6.374
 1195    HA   LEU   9           HA       LEU   9  -2.579  -4.625  -4.163
 1196    HB2  LEU   9           HB2      LEU   9  -5.248  -5.365  -5.376
 1197    HB3  LEU   9           HB3      LEU   9  -4.619  -5.915  -3.846
 1198    HG   LEU   9           HG       LEU   9  -6.153  -4.287  -3.241
 1199   HD11  LEU   9          HD11      LEU   9  -4.038  -3.962  -2.128
 1200   HD12  LEU   9          HD12      LEU   9  -3.509  -2.877  -3.414
 1201   HD13  LEU   9          HD13      LEU   9  -4.859  -2.421  -2.377
 1202   HD21  LEU   9          HD21      LEU   9  -6.340  -2.087  -4.262
 1203   HD22  LEU   9          HD22      LEU   9  -5.054  -2.497  -5.397
 1204   HD23  LEU   9          HD23      LEU   9  -6.588  -3.364  -5.452
 1205    H    ASP  10           H        ASP  10  -3.565  -5.513  -7.403
 1206    HA   ASP  10           HA       ASP  10  -3.052  -8.242  -7.390
 1207    HB2  ASP  10           HB2      ASP  10  -4.151  -7.133  -9.252
 1208    HB3  ASP  10           HB3      ASP  10  -2.696  -6.211  -9.607
 1209    H    VAL  11           H        VAL  11  -0.859  -5.553  -8.078
 1210    HA   VAL  11           HA       VAL  11   1.307  -7.300  -8.753
 1211    HB   VAL  11           HB       VAL  11   2.618  -5.336  -9.108
 1212   HG11  VAL  11          HG11      VAL  11   0.960  -5.892 -10.807
 1213   HG12  VAL  11          HG12      VAL  11  -0.227  -4.870  -9.992
 1214   HG13  VAL  11          HG13      VAL  11   1.212  -4.150 -10.712
 1215   HG21  VAL  11          HG21      VAL  11   2.015  -4.089  -7.101
 1216   HG22  VAL  11          HG22      VAL  11   1.816  -3.093  -8.544
 1217   HG23  VAL  11          HG23      VAL  11   0.403  -3.796  -7.755
 1218    H    MET  12           H        MET  12   0.174  -5.908  -5.792
 1219    HA   MET  12           HA       MET  12   2.626  -5.856  -4.389
 1220    HB2  MET  12           HB2      MET  12  -0.183  -6.319  -3.402
 1221    HB3  MET  12           HB3      MET  12   1.207  -6.217  -2.334
 1222    HG2  MET  12           HG2      MET  12   1.614  -3.919  -3.414
 1223    HG3  MET  12           HG3      MET  12  -0.039  -4.076  -4.006
 1224    HE1  MET  12           HE1      MET  12  -0.750  -1.955  -2.862
 1225    HE2  MET  12           HE2      MET  12  -0.715  -1.651  -1.120
 1226    HE3  MET  12           HE3      MET  12   0.790  -1.622  -2.058
 1227    H    VAL  13           H        VAL  13   0.220  -8.419  -4.855
 1228    HA   VAL  13           HA       VAL  13   1.935 -10.312  -3.465
 1229    HB   VAL  13           HB       VAL  13   0.139 -11.972  -3.927
 1230   HG11  VAL  13          HG11      VAL  13  -0.756  -9.407  -2.620
 1231   HG12  VAL  13          HG12      VAL  13  -1.500 -10.989  -2.393
 1232   HG13  VAL  13          HG13      VAL  13   0.155 -10.707  -1.854
 1233   HG21  VAL  13          HG21      VAL  13  -1.285  -9.605  -5.135
 1234   HG22  VAL  13          HG22      VAL  13  -0.776 -11.068  -5.978
 1235   HG23  VAL  13          HG23      VAL  13  -2.036 -11.153  -4.745
 1236    H    SER  14           H        SER  14   1.311  -9.269  -6.674
 1237    HA   SER  14           HA       SER  14   2.238 -11.648  -7.982
 1238    HB2  SER  14           HB2      SER  14   0.686 -10.126  -9.112
 1239    HB3  SER  14           HB3      SER  14   1.881  -8.830  -9.041
 1240    HG   SER  14           HG       SER  14   2.210  -9.647 -11.005
 1241    H    THR  15           H        THR  15   3.633  -8.351  -7.747
 1242    HA   THR  15           HA       THR  15   6.185  -9.075  -8.697
 1243    HB   THR  15           HB       THR  15   5.734  -6.790  -6.782
 1244    HG1  THR  15           HG1      THR  15   4.177  -6.235  -8.127
 1245   HG21  THR  15          HG21      THR  15   7.471  -7.115  -9.241
 1246   HG22  THR  15          HG22      THR  15   8.029  -7.148  -7.568
 1247   HG23  THR  15          HG23      THR  15   7.369  -5.658  -8.251
 1248    H    PHE  16           H        PHE  16   4.677  -9.199  -5.582
 1249    HA   PHE  16           HA       PHE  16   6.708  -9.700  -3.812
 1250    HB2  PHE  16           HB2      PHE  16   4.242  -9.685  -3.359
 1251    HB3  PHE  16           HB3      PHE  16   4.138 -11.280  -4.081
 1252    HD1  PHE  16           HD2      PHE  16   5.400  -9.355  -1.223
 1253    HD2  PHE  16           HD1      PHE  16   4.742 -13.222  -2.867
 1254    HE1  PHE  16           HE2      PHE  16   5.792 -10.356   0.988
 1255    HE2  PHE  16           HE1      PHE  16   5.125 -14.230  -0.659
 1256    HZ   PHE  16           HZ       PHE  16   5.652 -12.797   1.272
 1257    H    HIS  17           H        HIS  17   4.951 -12.286  -5.513
 1258    HA   HIS  17           HA       HIS  17   6.874 -14.294  -5.045
 1259    HB2  HIS  17           HB2      HIS  17   4.617 -14.057  -7.028
 1260    HB3  HIS  17           HB3      HIS  17   5.661 -15.473  -6.974
 1261    HD1  HIS  17           HD1      HIS  17   5.154 -17.214  -5.252
 1262    HD2  HIS  17           HD2      HIS  17   3.045 -13.682  -4.643
 1263    HE1  HIS  17           HE1      HIS  17   3.498 -17.715  -3.426
 1264    HE2  HIS  17           HE2      HIS  17   2.406 -15.499  -2.921
 1265    H    LYS  18           H        LYS  18   6.636 -11.833  -7.427
 1266    HA   LYS  18           HA       LYS  18   8.116 -12.984  -9.511
 1267    HB2  LYS  18           HB2      LYS  18   6.731 -10.981  -9.766
 1268    HB3  LYS  18           HB3      LYS  18   7.814 -10.083  -8.719
 1269    HG2  LYS  18           HG2      LYS  18   9.605 -10.323 -10.370
 1270    HG3  LYS  18           HG3      LYS  18   8.504 -11.217 -11.422
 1271    HD2  LYS  18           HD2      LYS  18   7.060  -9.293 -11.625
 1272    HD3  LYS  18           HD3      LYS  18   8.024  -8.400 -10.448
 1273    HE2  LYS  18           HE2      LYS  18   9.941  -8.486 -11.977
 1274    HE3  LYS  18           HE3      LYS  18   8.957  -9.351 -13.154
 1275    HZ1  LYS  18           HZ1      LYS  18   8.501  -6.576 -12.170
 1276    HZ2  LYS  18           HZ2      LYS  18   7.467  -7.418 -13.223
 1277    HZ3  LYS  18           HZ3      LYS  18   9.041  -7.032 -13.714
 1278    H    TYR  19           H        TYR  19   9.139 -11.407  -6.527
 1279    HA   TYR  19           HA       TYR  19  11.928 -11.762  -7.416
 1280    HB2  TYR  19           HB2      TYR  19  10.754  -9.536  -5.759
 1281    HB3  TYR  19           HB3      TYR  19  12.487  -9.830  -5.894
 1282    HD1  TYR  19           HD1      TYR  19  13.622  -9.555  -8.070
 1283    HD2  TYR  19           HD2      TYR  19   9.530  -8.536  -7.548
 1284    HE1  TYR  19           HE1      TYR  19  13.681  -8.270 -10.166
 1285    HE2  TYR  19           HE2      TYR  19   9.578  -7.248  -9.639
 1286    HH   TYR  19           HH       TYR  19  12.179  -7.465 -11.852
 1287    H    SER  20           H        SER  20   9.682 -12.213  -4.749
 1288    HA   SER  20           HA       SER  20  11.520 -12.516  -2.671
 1289    HB2  SER  20           HB2      SER  20   9.724 -13.875  -1.566
 1290    HB3  SER  20           HB3      SER  20   9.171 -12.322  -2.193
 1291    HG   SER  20           HG       SER  20   7.976 -14.468  -2.657
 1292    H    GLY  21           H        GLY  21  10.084 -15.051  -4.717
 1293    HA2  GLY  21           HA2      GLY  21  11.782 -17.054  -3.506
 1294    HA3  GLY  21           HA3      GLY  21  10.553 -17.328  -4.726
 1295    H    LYS  22           H        LYS  22  13.229 -15.023  -5.001
 1296    HA   LYS  22           HA       LYS  22  14.191 -16.558  -7.294
 1297    HB2  LYS  22           HB2      LYS  22  14.766 -13.774  -6.309
 1298    HB3  LYS  22           HB3      LYS  22  15.772 -14.544  -7.528
 1299    HG2  LYS  22           HG2      LYS  22  13.616 -14.893  -8.840
 1300    HG3  LYS  22           HG3      LYS  22  12.889 -13.749  -7.708
 1301    HD2  LYS  22           HD2      LYS  22  14.547 -12.068  -8.317
 1302    HD3  LYS  22           HD3      LYS  22  15.322 -13.214  -9.413
 1303    HE2  LYS  22           HE2      LYS  22  13.114 -13.355 -10.626
 1304    HE3  LYS  22           HE3      LYS  22  12.585 -11.985  -9.649
 1305    HZ1  LYS  22           HZ1      LYS  22  14.804 -12.062 -11.615
 1306    HZ2  LYS  22           HZ2      LYS  22  14.587 -10.778 -10.525
 1307    HZ3  LYS  22           HZ3      LYS  22  13.392 -11.123 -11.681
 1308    H    GLU  23           H        GLU  23  15.598 -14.971  -4.429
 1309    HA   GLU  23           HA       GLU  23  17.969 -16.628  -4.643
 1310    HB2  GLU  23           HB2      GLU  23  18.081 -14.224  -4.011
 1311    HB3  GLU  23           HB3      GLU  23  17.209 -14.600  -2.532
 1312    HG2  GLU  23           HG2      GLU  23  19.056 -16.114  -1.887
 1313    HG3  GLU  23           HG3      GLU  23  19.938 -15.588  -3.320
 1314    H    GLY  24           H        GLY  24  15.053 -16.458  -2.685
 1315    HA2  GLY  24           HA2      GLY  24  15.757 -19.014  -1.492
 1316    HA3  GLY  24           HA3      GLY  24  15.629 -17.669  -0.374
 1317    H    ASP  25           H        ASP  25  13.758 -17.439   0.581
 1318    HA   ASP  25           HA       ASP  25  11.665 -19.289   0.002
 1319    HB2  ASP  25           HB2      ASP  25  12.260 -18.660   2.298
 1320    HB3  ASP  25           HB3      ASP  25  11.750 -17.007   1.983
 1321    H    LYS  26           H        LYS  26   9.611 -18.950  -0.701
 1322    HA   LYS  26           HA       LYS  26   9.388 -16.882  -2.665
 1323    HB2  LYS  26           HB2      LYS  26   7.133 -17.991  -3.113
 1324    HB3  LYS  26           HB3      LYS  26   8.575 -18.948  -3.388
 1325    HG2  LYS  26           HG2      LYS  26   6.898 -20.309  -2.347
 1326    HG3  LYS  26           HG3      LYS  26   8.218 -20.070  -1.214
 1327    HD2  LYS  26           HD2      LYS  26   6.301 -19.802   0.086
 1328    HD3  LYS  26           HD3      LYS  26   6.796 -18.146  -0.276
 1329    HE2  LYS  26           HE2      LYS  26   4.431 -18.293  -0.571
 1330    HE3  LYS  26           HE3      LYS  26   5.168 -18.151  -2.166
 1331    HZ1  LYS  26           HZ1      LYS  26   4.136 -20.636  -0.903
 1332    HZ2  LYS  26           HZ2      LYS  26   4.978 -20.591  -2.374
 1333    HZ3  LYS  26           HZ3      LYS  26   3.478 -19.822  -2.236
 1334    H    PHE  27           H        PHE  27   8.647 -16.855   0.581
 1335    HA   PHE  27           HA       PHE  27   6.509 -14.865   0.183
 1336    HB2  PHE  27           HB2      PHE  27   6.022 -17.105   1.362
 1337    HB3  PHE  27           HB3      PHE  27   7.009 -16.487   2.679
 1338    HD1  PHE  27           HD1      PHE  27   6.257 -14.628   4.018
 1339    HD2  PHE  27           HD2      PHE  27   3.863 -16.253   0.922
 1340    HE1  PHE  27           HE1      PHE  27   4.285 -13.487   4.963
 1341    HE2  PHE  27           HE2      PHE  27   1.875 -15.119   1.845
 1342    HZ   PHE  27           HZ       PHE  27   2.089 -13.732   3.870
 1343    H    LYS  28           H        LYS  28   9.709 -15.237   0.962
 1344    HA   LYS  28           HA       LYS  28   9.635 -12.820   2.638
 1345    HB2  LYS  28           HB2      LYS  28  11.617 -15.095   2.701
 1346    HB3  LYS  28           HB3      LYS  28  11.831 -13.581   3.563
 1347    HG2  LYS  28           HG2      LYS  28   9.610 -15.565   3.998
 1348    HG3  LYS  28           HG3      LYS  28  11.017 -15.326   5.037
 1349    HD2  LYS  28           HD2      LYS  28  10.261 -12.935   5.309
 1350    HD3  LYS  28           HD3      LYS  28   8.763 -13.401   4.502
 1351    HE2  LYS  28           HE2      LYS  28   8.446 -13.470   6.889
 1352    HE3  LYS  28           HE3      LYS  28   8.390 -15.106   6.236
 1353    HZ1  LYS  28           HZ1      LYS  28  10.636 -15.474   6.983
 1354    HZ2  LYS  28           HZ2      LYS  28   9.695 -14.949   8.291
 1355    HZ3  LYS  28           HZ3      LYS  28  10.770 -13.877   7.531
 1356    H    LEU  29           H        LEU  29  10.307 -11.107   1.569
 1357    HA   LEU  29           HA       LEU  29  12.385 -11.430  -0.468
 1358    HB2  LEU  29           HB2      LEU  29  10.738  -9.015   0.294
 1359    HB3  LEU  29           HB3      LEU  29  12.004  -9.002  -0.916
 1360    HG   LEU  29           HG       LEU  29  10.497 -10.972  -1.921
 1361   HD11  LEU  29          HD11      LEU  29   8.564  -9.169  -0.487
 1362   HD12  LEU  29          HD12      LEU  29   8.137 -10.384  -1.690
 1363   HD13  LEU  29          HD13      LEU  29   8.842 -10.878  -0.151
 1364   HD21  LEU  29          HD21      LEU  29   9.985  -8.023  -2.276
 1365   HD22  LEU  29          HD22      LEU  29  11.230  -8.966  -3.095
 1366   HD23  LEU  29          HD23      LEU  29   9.526  -9.296  -3.406
 1367    H    ASN  30           H        ASN  30  14.355 -11.524   0.411
 1368    HA   ASN  30           HA       ASN  30  15.011  -9.985   2.754
 1369    HB2  ASN  30           HB2      ASN  30  17.162 -10.988   2.674
 1370    HB3  ASN  30           HB3      ASN  30  16.036 -12.247   2.178
 1371   HD21  ASN  30          HD21      ASN  30  16.098 -13.014   0.104
 1372   HD22  ASN  30          HD22      ASN  30  17.349 -12.595  -1.003
 1373    H    LYS  31           H        LYS  31  17.405  -8.891   2.364
 1374    HA   LYS  31           HA       LYS  31  16.914  -6.401   1.368
 1375    HB2  LYS  31           HB2      LYS  31  19.618  -7.756   1.289
 1376    HB3  LYS  31           HB3      LYS  31  19.313  -6.026   1.350
 1377    HG2  LYS  31           HG2      LYS  31  18.357  -6.268   3.579
 1378    HG3  LYS  31           HG3      LYS  31  18.646  -8.008   3.516
 1379    HD2  LYS  31           HD2      LYS  31  20.741  -5.838   3.422
 1380    HD3  LYS  31           HD3      LYS  31  20.397  -6.901   4.788
 1381    HE2  LYS  31           HE2      LYS  31  21.374  -7.794   2.077
 1382    HE3  LYS  31           HE3      LYS  31  22.377  -7.617   3.514
 1383    HZ1  LYS  31           HZ1      LYS  31  21.211  -9.368   4.585
 1384    HZ2  LYS  31           HZ2      LYS  31  21.630  -9.926   3.041
 1385    HZ3  LYS  31           HZ3      LYS  31  20.040  -9.442   3.362
 1386    H    SER  32           H        SER  32  18.522  -9.059  -0.390
 1387    HA   SER  32           HA       SER  32  19.097  -7.474  -2.672
 1388    HB2  SER  32           HB2      SER  32  20.385  -9.493  -2.012
 1389    HB3  SER  32           HB3      SER  32  19.000 -10.488  -2.457
 1390    HG   SER  32           HG       SER  32  19.841 -10.475  -4.373
 1391    H    GLU  33           H        GLU  33  16.383  -9.522  -1.797
 1392    HA   GLU  33           HA       GLU  33  15.353  -9.767  -4.451
 1393    HB2  GLU  33           HB2      GLU  33  13.818 -10.068  -1.868
 1394    HB3  GLU  33           HB3      GLU  33  13.406 -10.747  -3.437
 1395    HG2  GLU  33           HG2      GLU  33  15.771 -11.495  -1.739
 1396    HG3  GLU  33           HG3      GLU  33  14.302 -12.441  -1.961
 1397    H    LEU  34           H        LEU  34  14.536  -7.781  -1.634
 1398    HA   LEU  34           HA       LEU  34  12.517  -6.260  -2.848
 1399    HB2  LEU  34           HB2      LEU  34  14.329  -5.898  -0.515
 1400    HB3  LEU  34           HB3      LEU  34  13.459  -4.500  -1.111
 1401    HG   LEU  34           HG       LEU  34  12.083  -7.059  -0.312
 1402   HD11  LEU  34          HD11      LEU  34  11.505  -5.884   1.759
 1403   HD12  LEU  34          HD12      LEU  34  13.245  -6.133   1.614
 1404   HD13  LEU  34          HD13      LEU  34  12.551  -4.545   1.285
 1405   HD21  LEU  34          HD21      LEU  34  10.840  -5.649  -1.848
 1406   HD22  LEU  34          HD22      LEU  34  10.120  -5.587  -0.237
 1407   HD23  LEU  34          HD23      LEU  34  11.117  -4.245  -0.812
 1408    H    LYS  35           H        LYS  35  16.023  -5.807  -2.691
 1409    HA   LYS  35           HA       LYS  35  16.174  -3.273  -3.792
 1410    HB2  LYS  35           HB2      LYS  35  18.118  -4.430  -2.837
 1411    HB3  LYS  35           HB3      LYS  35  18.131  -5.538  -4.205
 1412    HG2  LYS  35           HG2      LYS  35  18.797  -3.874  -5.704
 1413    HG3  LYS  35           HG3      LYS  35  18.350  -2.573  -4.591
 1414    HD2  LYS  35           HD2      LYS  35  20.723  -2.706  -4.561
 1415    HD3  LYS  35           HD3      LYS  35  20.154  -3.409  -3.047
 1416    HE2  LYS  35           HE2      LYS  35  20.329  -5.659  -4.152
 1417    HE3  LYS  35           HE3      LYS  35  21.139  -4.853  -5.493
 1418    HZ1  LYS  35           HZ1      LYS  35  22.064  -4.942  -2.675
 1419    HZ2  LYS  35           HZ2      LYS  35  22.825  -4.063  -3.906
 1420    HZ3  LYS  35           HZ3      LYS  35  22.755  -5.754  -3.988
 1421    H    GLU  36           H        GLU  36  16.402  -6.385  -5.541
 1422    HA   GLU  36           HA       GLU  36  16.602  -5.213  -8.080
 1423    HB2  GLU  36           HB2      GLU  36  16.949  -7.685  -7.364
 1424    HB3  GLU  36           HB3      GLU  36  15.218  -7.830  -7.661
 1425    HG2  GLU  36           HG2      GLU  36  15.559  -7.003  -9.936
 1426    HG3  GLU  36           HG3      GLU  36  17.290  -6.933  -9.648
 1427    H    LEU  37           H        LEU  37  13.811  -6.274  -6.209
 1428    HA   LEU  37           HA       LEU  37  11.750  -5.801  -7.997
 1429    HB2  LEU  37           HB2      LEU  37  11.649  -6.765  -5.651
 1430    HB3  LEU  37           HB3      LEU  37  11.710  -5.112  -5.065
 1431    HG   LEU  37           HG       LEU  37   9.550  -5.719  -6.996
 1432   HD11  LEU  37          HD11      LEU  37   9.551  -7.736  -5.613
 1433   HD12  LEU  37          HD12      LEU  37   9.525  -6.743  -4.156
 1434   HD13  LEU  37          HD13      LEU  37   8.151  -6.724  -5.261
 1435   HD21  LEU  37          HD21      LEU  37   9.806  -3.513  -5.970
 1436   HD22  LEU  37          HD22      LEU  37   8.298  -4.279  -5.470
 1437   HD23  LEU  37          HD23      LEU  37   9.675  -4.241  -4.368
 1438    H    LEU  38           H        LEU  38  13.228  -3.548  -5.686
 1439    HA   LEU  38           HA       LEU  38  11.734  -1.306  -6.565
 1440    HB2  LEU  38           HB2      LEU  38  14.113  -1.681  -4.795
 1441    HB3  LEU  38           HB3      LEU  38  13.662  -0.063  -5.305
 1442    HG   LEU  38           HG       LEU  38  11.312  -1.340  -4.329
 1443   HD11  LEU  38          HD11      LEU  38  12.742  -2.907  -3.151
 1444   HD12  LEU  38          HD12      LEU  38  13.663  -1.569  -2.461
 1445   HD13  LEU  38          HD13      LEU  38  11.971  -1.794  -2.017
 1446   HD21  LEU  38          HD21      LEU  38  11.751   1.058  -4.312
 1447   HD22  LEU  38          HD22      LEU  38  11.392   0.475  -2.686
 1448   HD23  LEU  38          HD23      LEU  38  13.059   0.823  -3.150
 1449    H    THR  39           H        THR  39  14.915  -2.583  -7.491
 1450    HA   THR  39           HA       THR  39  15.728  -0.276  -8.914
 1451    HB   THR  39           HB       THR  39  17.370  -1.684 -10.053
 1452    HG1  THR  39           HG1      THR  39  15.636  -3.700  -9.246
 1453   HG21  THR  39          HG21      THR  39  18.567  -2.521  -8.106
 1454   HG22  THR  39          HG22      THR  39  17.091  -2.430  -7.145
 1455   HG23  THR  39          HG23      THR  39  17.839  -0.952  -7.760
 1456    H    ARG  40           H        ARG  40  13.588  -2.883  -9.738
 1457    HA   ARG  40           HA       ARG  40  13.721  -2.261 -12.573
 1458    HB2  ARG  40           HB2      ARG  40  12.069  -4.288 -11.067
 1459    HB3  ARG  40           HB3      ARG  40  12.098  -4.118 -12.817
 1460    HG2  ARG  40           HG2      ARG  40  14.354  -4.970 -11.021
 1461    HG3  ARG  40           HG3      ARG  40  13.497  -5.949 -12.212
 1462    HD2  ARG  40           HD2      ARG  40  15.314  -3.607 -12.743
 1463    HD3  ARG  40           HD3      ARG  40  15.632  -5.303 -13.103
 1464    HE   ARG  40           HE       ARG  40  13.558  -5.025 -14.620
 1465   HH11  ARG  40          HH12      ARG  40  15.998  -2.589 -13.995
 1466   HH12  ARG  40          HH11      ARG  40  15.768  -1.786 -15.522
 1467   HH21  ARG  40          HH22      ARG  40  13.262  -3.997 -16.623
 1468   HH22  ARG  40          HH21      ARG  40  14.216  -2.599 -17.034
 1469    H    GLU  41           H        GLU  41  11.131  -2.431 -10.105
 1470    HA   GLU  41           HA       GLU  41   9.444  -0.915 -11.929
 1471    HB2  GLU  41           HB2      GLU  41   8.944  -2.778  -9.711
 1472    HB3  GLU  41           HB3      GLU  41   7.836  -1.412  -9.792
 1473    HG2  GLU  41           HG2      GLU  41   6.801  -3.080 -11.050
 1474    HG3  GLU  41           HG3      GLU  41   7.525  -2.010 -12.239
 1475    H    LEU  42           H        LEU  42  11.211  -0.370  -8.962
 1476    HA   LEU  42           HA       LEU  42   9.770   2.203  -8.712
 1477    HB2  LEU  42           HB2      LEU  42  11.141   0.721  -6.477
 1478    HB3  LEU  42           HB3      LEU  42  10.184   2.180  -6.336
 1479    HG   LEU  42           HG       LEU  42   8.281   0.637  -7.320
 1480   HD11  LEU  42          HD11      LEU  42  10.269  -1.193  -7.288
 1481   HD12  LEU  42          HD12      LEU  42   9.521  -1.479  -5.714
 1482   HD13  LEU  42          HD13      LEU  42   8.551  -1.585  -7.185
 1483   HD21  LEU  42          HD21      LEU  42   9.237   0.491  -4.465
 1484   HD22  LEU  42          HD22      LEU  42   8.253   1.780  -5.159
 1485   HD23  LEU  42          HD23      LEU  42   7.605   0.147  -5.031
 1486    HA   PRO  43           HA       PRO  43  14.541   2.694  -9.154
 1487    HB2  PRO  43           HB2      PRO  43  13.981   4.105 -11.664
 1488    HB3  PRO  43           HB3      PRO  43  15.154   2.828 -11.340
 1489    HG2  PRO  43           HG2      PRO  43  12.950   2.383 -12.811
 1490    HG3  PRO  43           HG3      PRO  43  13.627   1.143 -11.737
 1491    HD2  PRO  43           HD2      PRO  43  11.278   2.951 -11.306
 1492    HD3  PRO  43           HD3      PRO  43  11.461   1.226 -10.905
 1493    H    SER  44           H        SER  44  11.896   4.845 -10.054
 1494    HA   SER  44           HA       SER  44  13.218   7.277  -9.447
 1495    HB2  SER  44           HB2      SER  44  10.241   6.733  -9.378
 1496    HB3  SER  44           HB3      SER  44  11.033   8.289  -9.624
 1497    HG   SER  44           HG       SER  44  10.694   7.750 -11.649
 1498    H    PHE  45           H        PHE  45  11.259   5.020  -7.617
 1499    HA   PHE  45           HA       PHE  45  10.928   6.664  -5.304
 1500    HB2  PHE  45           HB2      PHE  45  10.562   3.680  -5.659
 1501    HB3  PHE  45           HB3      PHE  45  10.038   4.613  -4.264
 1502    HD1  PHE  45           HD1      PHE  45   8.162   6.134  -4.430
 1503    HD2  PHE  45           HD2      PHE  45   9.347   3.718  -7.716
 1504    HE1  PHE  45           HE1      PHE  45   5.985   6.517  -5.486
 1505    HE2  PHE  45           HE2      PHE  45   7.170   4.098  -8.792
 1506    HZ   PHE  45           HZ       PHE  45   5.482   5.494  -7.677
 1507    H    LEU  46           H        LEU  46  13.735   5.724  -6.352
 1508    HA   LEU  46           HA       LEU  46  14.651   4.795  -3.732
 1509    HB2  LEU  46           HB2      LEU  46  16.281   5.067  -6.259
 1510    HB3  LEU  46           HB3      LEU  46  16.768   4.276  -4.773
 1511    HG   LEU  46           HG       LEU  46  14.843   3.331  -6.866
 1512   HD11  LEU  46          HD11      LEU  46  17.160   2.031  -5.454
 1513   HD12  LEU  46          HD12      LEU  46  16.162   1.283  -6.702
 1514   HD13  LEU  46          HD13      LEU  46  17.161   2.684  -7.093
 1515   HD21  LEU  46          HD21      LEU  46  14.901   2.475  -3.975
 1516   HD22  LEU  46          HD22      LEU  46  13.532   3.026  -4.938
 1517   HD23  LEU  46          HD23      LEU  46  14.263   1.459  -5.270
 1518    H    GLY  47           H        GLY  47  14.393   7.538  -5.708
 1519    HA2  GLY  47           HA2      GLY  47  14.934   9.741  -5.364
 1520    HA3  GLY  47           HA3      GLY  47  15.447   9.304  -3.744
 1521    H    LYS  48           H        LYS  48  17.434   7.433  -4.511
 1522    HA   LYS  48           HA       LYS  48  19.232   8.898  -6.313
 1523    HB2  LYS  48           HB2      LYS  48  19.854   9.414  -3.956
 1524    HB3  LYS  48           HB3      LYS  48  20.082   7.698  -3.664
 1525    HG2  LYS  48           HG2      LYS  48  21.798   7.755  -5.530
 1526    HG3  LYS  48           HG3      LYS  48  21.695   9.514  -5.425
 1527    HD2  LYS  48           HD2      LYS  48  23.538   8.755  -4.070
 1528    HD3  LYS  48           HD3      LYS  48  22.255   9.349  -3.011
 1529    HE2  LYS  48           HE2      LYS  48  21.490   7.021  -2.697
 1530    HE3  LYS  48           HE3      LYS  48  22.841   6.468  -3.682
 1531    HZ1  LYS  48           HZ1      LYS  48  22.943   7.772  -1.025
 1532    HZ2  LYS  48           HZ2      LYS  48  24.307   7.618  -2.016
 1533    HZ3  LYS  48           HZ3      LYS  48  23.505   6.228  -1.464
 1534    H    ARG  49           H        ARG  49  19.567   6.006  -4.279
 1535    HA   ARG  49           HA       ARG  49  19.032   4.045  -6.159
 1536    HB2  ARG  49           HB2      ARG  49  21.031   5.087  -7.325
 1537    HB3  ARG  49           HB3      ARG  49  22.010   4.544  -5.970
 1538    HG2  ARG  49           HG2      ARG  49  22.159   3.022  -7.879
 1539    HG3  ARG  49           HG3      ARG  49  21.464   2.231  -6.462
 1540    HD2  ARG  49           HD2      ARG  49  19.242   2.469  -7.364
 1541    HD3  ARG  49           HD3      ARG  49  19.855   3.406  -8.726
 1542    HE   ARG  49           HE       ARG  49  21.034   0.797  -8.548
 1543   HH11  ARG  49          HH12      ARG  49  18.215   2.565  -9.659
 1544   HH12  ARG  49          HH11      ARG  49  17.845   1.424 -10.923
 1545   HH21  ARG  49          HH22      ARG  49  20.535  -0.705 -10.203
 1546   HH22  ARG  49          HH21      ARG  49  19.158  -0.429 -11.223
 1547    H    THR  50           H        THR  50  19.533   1.932  -5.356
 1548    HA   THR  50           HA       THR  50  19.609   1.853  -2.497
 1549    HB   THR  50           HB       THR  50  19.525  -0.692  -3.043
 1550    HG1  THR  50           HG1      THR  50  20.030  -0.604  -5.239
 1551   HG21  THR  50          HG21      THR  50  17.653   0.605  -2.150
 1552   HG22  THR  50          HG22      THR  50  17.097  -0.526  -3.384
 1553   HG23  THR  50          HG23      THR  50  17.274   1.185  -3.772
 1554    H    ASP  51           H        ASP  51  21.574   2.247  -1.624
 1555    HA   ASP  51           HA       ASP  51  23.985   1.063  -2.674
 1556    HB2  ASP  51           HB2      ASP  51  23.464   2.643  -0.149
 1557    HB3  ASP  51           HB3      ASP  51  25.051   2.056  -0.629
 1558    H    GLU  52           H        GLU  52  25.428  -0.227  -1.300
 1559    HA   GLU  52           HA       GLU  52  24.028  -2.520  -0.327
 1560    HB2  GLU  52           HB2      GLU  52  26.979  -1.921  -0.095
 1561    HB3  GLU  52           HB3      GLU  52  26.208  -3.497  -0.034
 1562    HG2  GLU  52           HG2      GLU  52  26.319  -1.682  -2.432
 1563    HG3  GLU  52           HG3      GLU  52  27.321  -3.106  -2.170
 1564    H    ALA  53           H        ALA  53  26.104  -0.050   1.176
 1565    HA   ALA  53           HA       ALA  53  25.702  -1.019   3.838
 1566    HB1  ALA  53           HB1      ALA  53  27.679   0.274   3.307
 1567    HB2  ALA  53           HB2      ALA  53  26.684   1.667   2.879
 1568    HB3  ALA  53           HB3      ALA  53  26.734   1.100   4.549
 1569    H    ALA  54           H        ALA  54  23.736   0.689   1.718
 1570    HA   ALA  54           HA       ALA  54  22.237   2.064   3.801
 1571    HB1  ALA  54           HB1      ALA  54  20.843   2.877   1.994
 1572    HB2  ALA  54           HB2      ALA  54  22.552   3.145   1.620
 1573    HB3  ALA  54           HB3      ALA  54  21.678   1.812   0.858
 1574    H    PHE  55           H        PHE  55  22.040  -0.765   1.757
 1575    HA   PHE  55           HA       PHE  55  19.300  -1.273   2.287
 1576    HB2  PHE  55           HB2      PHE  55  21.129  -2.278   0.496
 1577    HB3  PHE  55           HB3      PHE  55  20.830  -3.644   1.573
 1578    HD1  PHE  55           HD1      PHE  55  18.329  -4.108   2.131
 1579    HD2  PHE  55           HD2      PHE  55  19.672  -1.884  -1.235
 1580    HE1  PHE  55           HE1      PHE  55  16.173  -4.503   1.019
 1581    HE2  PHE  55           HE2      PHE  55  17.523  -2.277  -2.354
 1582    HZ   PHE  55           HZ       PHE  55  15.768  -3.586  -1.229
 1583    H    GLN  56           H        GLN  56  22.233  -2.121   3.983
 1584    HA   GLN  56           HA       GLN  56  21.091  -4.069   5.687
 1585    HB2  GLN  56           HB2      GLN  56  22.929  -3.537   7.239
 1586    HB3  GLN  56           HB3      GLN  56  23.510  -3.745   5.594
 1587    HG2  GLN  56           HG2      GLN  56  23.539  -1.291   5.339
 1588    HG3  GLN  56           HG3      GLN  56  23.074  -1.142   7.031
 1589   HE21  GLN  56          HE21      GLN  56  25.231  -3.627   5.886
 1590   HE22  GLN  56          HE22      GLN  56  26.665  -3.001   6.628
 1591    H    LYS  57           H        LYS  57  20.964  -0.621   5.536
 1592    HA   LYS  57           HA       LYS  57  19.521  -0.289   8.009
 1593    HB2  LYS  57           HB2      LYS  57  19.933   1.555   5.640
 1594    HB3  LYS  57           HB3      LYS  57  19.080   2.010   7.108
 1595    HG2  LYS  57           HG2      LYS  57  21.096   1.742   8.408
 1596    HG3  LYS  57           HG3      LYS  57  21.965   1.166   6.981
 1597    HD2  LYS  57           HD2      LYS  57  21.764   3.290   5.909
 1598    HD3  LYS  57           HD3      LYS  57  20.655   3.888   7.153
 1599    HE2  LYS  57           HE2      LYS  57  23.554   3.126   7.572
 1600    HE3  LYS  57           HE3      LYS  57  22.936   4.771   7.419
 1601    HZ1  LYS  57           HZ1      LYS  57  21.616   4.437   9.411
 1602    HZ2  LYS  57           HZ2      LYS  57  23.257   4.144   9.738
 1603    HZ3  LYS  57           HZ3      LYS  57  22.185   2.844   9.555
 1604    H    LEU  58           H        LEU  58  18.790  -0.261   4.544
 1605    HA   LEU  58           HA       LEU  58  16.104   0.396   4.648
 1606    HB2  LEU  58           HB2      LEU  58  17.362   0.421   2.584
 1607    HB3  LEU  58           HB3      LEU  58  17.559  -1.320   2.643
 1608    HG   LEU  58           HG       LEU  58  15.164  -1.636   2.290
 1609   HD11  LEU  58          HD11      LEU  58  14.464   0.440   3.458
 1610   HD12  LEU  58          HD12      LEU  58  14.992   1.357   2.040
 1611   HD13  LEU  58          HD13      LEU  58  13.677   0.188   1.901
 1612   HD21  LEU  58          HD21      LEU  58  16.655  -1.372   0.333
 1613   HD22  LEU  58          HD22      LEU  58  14.991  -0.858   0.032
 1614   HD23  LEU  58          HD23      LEU  58  16.253   0.346   0.304
 1615    H    MET  59           H        MET  59  17.406  -2.907   4.286
 1616    HA   MET  59           HA       MET  59  15.043  -4.301   4.424
 1617    HB2  MET  59           HB2      MET  59  16.971  -5.548   3.939
 1618    HB3  MET  59           HB3      MET  59  17.806  -4.990   5.381
 1619    HG2  MET  59           HG2      MET  59  17.015  -7.382   5.388
 1620    HG3  MET  59           HG3      MET  59  16.560  -6.403   6.782
 1621    HE1  MET  59           HE1      MET  59  13.667  -7.152   3.310
 1622    HE2  MET  59           HE2      MET  59  15.314  -6.522   3.198
 1623    HE3  MET  59           HE3      MET  59  15.046  -8.254   3.476
 1624    H    SER  60           H        SER  60  17.118  -3.532   7.221
 1625    HA   SER  60           HA       SER  60  15.187  -4.577   9.050
 1626    HB2  SER  60           HB2      SER  60  17.613  -4.673   9.476
 1627    HB3  SER  60           HB3      SER  60  17.658  -2.914   9.583
 1628    HG   SER  60           HG       SER  60  15.766  -4.064  11.215
 1629    H    ASN  61           H        ASN  61  15.231  -1.779   7.301
 1630    HA   ASN  61           HA       ASN  61  14.079  -0.080   9.363
 1631    HB2  ASN  61           HB2      ASN  61  15.565   0.596   7.239
 1632    HB3  ASN  61           HB3      ASN  61  13.964   0.714   6.509
 1633   HD21  ASN  61          HD21      ASN  61  15.777   2.859   6.985
 1634   HD22  ASN  61          HD22      ASN  61  14.994   3.956   8.069
 1635    H    LEU  62           H        LEU  62  13.184  -2.085   6.643
 1636    HA   LEU  62           HA       LEU  62  10.359  -1.573   7.066
 1637    HB2  LEU  62           HB2      LEU  62  11.929  -3.479   5.350
 1638    HB3  LEU  62           HB3      LEU  62  10.217  -3.726   5.607
 1639    HG   LEU  62           HG       LEU  62  10.484  -2.628   3.530
 1640   HD11  LEU  62          HD11      LEU  62   8.596  -1.876   4.833
 1641   HD12  LEU  62          HD12      LEU  62   9.600  -0.637   5.611
 1642   HD13  LEU  62          HD13      LEU  62   9.250  -0.542   3.880
 1643   HD21  LEU  62          HD21      LEU  62  12.118  -0.551   4.961
 1644   HD22  LEU  62          HD22      LEU  62  12.712  -1.742   3.800
 1645   HD23  LEU  62          HD23      LEU  62  11.603  -0.475   3.274
 1646    H    ASP  63           H        ASP  63  12.313  -4.512   7.125
 1647    HA   ASP  63           HA       ASP  63  10.538  -6.040   8.628
 1648    HB2  ASP  63           HB2      ASP  63  12.144  -7.192   7.353
 1649    HB3  ASP  63           HB3      ASP  63  13.478  -6.288   8.057
 1650    H    SER  64           H        SER  64   9.845  -5.524  10.542
 1651    HA   SER  64           HA       SER  64  11.614  -4.303  12.510
 1652    HB2  SER  64           HB2      SER  64   8.662  -4.958  12.686
 1653    HB3  SER  64           HB3      SER  64   9.576  -3.928  13.791
 1654    HG   SER  64           HG       SER  64   9.125  -3.447  11.018
 1655    H    ASN  65           H        ASN  65  11.320  -7.340  11.556
 1656    HA   ASN  65           HA       ASN  65  10.970  -8.526  14.231
 1657    HB2  ASN  65           HB2      ASN  65  11.050  -9.905  11.537
 1658    HB3  ASN  65           HB3      ASN  65  10.669 -10.658  13.081
 1659   HD21  ASN  65          HD21      ASN  65   9.543  -8.614  10.527
 1660   HD22  ASN  65          HD22      ASN  65   7.879  -8.580  11.009
 1661    H    ARG  66           H        ARG  66  13.344  -7.707  11.964
 1662    HA   ARG  66           HA       ARG  66  15.547  -8.126  11.709
 1663    HB2  ARG  66           HB2      ARG  66  15.249  -9.173  14.516
 1664    HB3  ARG  66           HB3      ARG  66  16.782  -9.227  13.659
 1665    HG2  ARG  66           HG2      ARG  66  16.575  -6.751  13.339
 1666    HG3  ARG  66           HG3      ARG  66  15.199  -6.799  14.441
 1667    HD2  ARG  66           HD2      ARG  66  17.995  -7.725  15.085
 1668    HD3  ARG  66           HD3      ARG  66  17.291  -6.187  15.578
 1669    HE   ARG  66           HE       ARG  66  16.357  -8.836  16.503
 1670   HH11  ARG  66          HH12      ARG  66  16.756  -5.384  16.934
 1671   HH12  ARG  66          HH11      ARG  66  16.237  -5.395  18.595
 1672   HH21  ARG  66          HH22      ARG  66  15.675  -8.863  18.697
 1673   HH22  ARG  66          HH21      ARG  66  15.654  -7.378  19.606
 1674    H    ASP  67           H        ASP  67  14.039  -9.671  10.326
 1675    HA   ASP  67           HA       ASP  67  15.143 -12.398  10.622
 1676    HB2  ASP  67           HB2      ASP  67  12.664 -12.283  10.671
 1677    HB3  ASP  67           HB3      ASP  67  12.678 -11.464   9.113
 1678    H    ASN  68           H        ASN  68  15.042  -9.495   8.896
 1679    HA   ASN  68           HA       ASN  68  16.332  -8.667   7.227
 1680    HB2  ASN  68           HB2      ASN  68  17.637 -11.383   7.377
 1681    HB3  ASN  68           HB3      ASN  68  18.118 -10.177   6.190
 1682   HD21  ASN  68          HD21      ASN  68  17.070  -9.370   9.421
 1683   HD22  ASN  68          HD22      ASN  68  18.613  -8.820   9.995
 1684    H    GLU  69           H        GLU  69  13.909 -10.496   6.981
 1685    HA   GLU  69           HA       GLU  69  13.784 -10.457   4.082
 1686    HB2  GLU  69           HB2      GLU  69  12.818 -12.854   5.641
 1687    HB3  GLU  69           HB3      GLU  69  12.977 -12.689   3.898
 1688    HG2  GLU  69           HG2      GLU  69  15.467 -12.457   4.303
 1689    HG3  GLU  69           HG3      GLU  69  15.141 -13.007   5.943
 1690    H    VAL  70           H        VAL  70  12.063  -9.279   3.637
 1691    HA   VAL  70           HA       VAL  70  10.279  -8.471   5.684
 1692    HB   VAL  70           HB       VAL  70  10.621  -7.837   2.792
 1693   HG11  VAL  70          HG11      VAL  70   8.651  -6.395   2.813
 1694   HG12  VAL  70          HG12      VAL  70   8.202  -8.092   3.000
 1695   HG13  VAL  70          HG13      VAL  70   8.207  -7.021   4.401
 1696   HG21  VAL  70          HG21      VAL  70  10.346  -6.122   5.252
 1697   HG22  VAL  70          HG22      VAL  70  11.879  -6.691   4.581
 1698   HG23  VAL  70          HG23      VAL  70  10.860  -5.594   3.646
 1699    H    ASP  71           H        ASP  71   8.465  -9.300   6.334
 1700    HA   ASP  71           HA       ASP  71   7.210 -11.505   4.921
 1701    HB2  ASP  71           HB2      ASP  71   7.621 -11.431   7.450
 1702    HB3  ASP  71           HB3      ASP  71   6.304 -10.262   7.526
 1703    H    PHE  72           H        PHE  72   4.489 -11.140   5.550
 1704    HA   PHE  72           HA       PHE  72   3.923  -9.774   3.151
 1705    HB2  PHE  72           HB2      PHE  72   2.659 -11.737   4.344
 1706    HB3  PHE  72           HB3      PHE  72   1.709 -10.422   5.036
 1707    HD1  PHE  72           HD2      PHE  72   2.590  -8.975   2.139
 1708    HD2  PHE  72           HD1      PHE  72   0.270 -12.287   3.469
 1709    HE1  PHE  72           HE2      PHE  72   1.286  -8.876   0.059
 1710    HE2  PHE  72           HE1      PHE  72  -1.044 -12.194   1.394
 1711    HZ   PHE  72           HZ       PHE  72  -0.536 -10.492  -0.313
 1712    H    GLN  73           H        GLN  73   2.704  -8.901   6.470
 1713    HA   GLN  73           HA       GLN  73   1.570  -6.501   5.471
 1714    HB2  GLN  73           HB2      GLN  73   1.041  -7.633   7.752
 1715    HB3  GLN  73           HB3      GLN  73   2.416  -6.719   8.354
 1716    HG2  GLN  73           HG2      GLN  73   1.359  -4.651   7.510
 1717    HG3  GLN  73           HG3      GLN  73  -0.066  -5.601   7.107
 1718   HE21  GLN  73          HE21      GLN  73   1.912  -6.134   9.946
 1719   HE22  GLN  73          HE22      GLN  73   0.725  -5.620  11.091
 1720    H    GLU  74           H        GLU  74   4.740  -7.337   6.637
 1721    HA   GLU  74           HA       GLU  74   5.790  -4.738   6.942
 1722    HB2  GLU  74           HB2      GLU  74   6.761  -7.108   7.557
 1723    HB3  GLU  74           HB3      GLU  74   7.455  -7.024   5.944
 1724    HG2  GLU  74           HG2      GLU  74   9.125  -6.235   7.370
 1725    HG3  GLU  74           HG3      GLU  74   8.428  -4.780   6.646
 1726    H    TYR  75           H        TYR  75   5.421  -6.902   4.208
 1727    HA   TYR  75           HA       TYR  75   6.907  -5.374   2.337
 1728    HB2  TYR  75           HB2      TYR  75   6.466  -7.752   1.999
 1729    HB3  TYR  75           HB3      TYR  75   4.732  -7.452   1.930
 1730    HD1  TYR  75           HD1      TYR  75   3.839  -6.100  -0.041
 1731    HD2  TYR  75           HD2      TYR  75   7.797  -7.667   0.090
 1732    HE1  TYR  75           HE1      TYR  75   3.998  -5.860  -2.478
 1733    HE2  TYR  75           HE2      TYR  75   7.973  -7.413  -2.358
 1734    HH   TYR  75           HH       TYR  75   6.526  -7.263  -4.298
 1735    H    CYS  76           H        CYS  76   3.523  -5.401   3.320
 1736    HA   CYS  76           HA       CYS  76   2.820  -3.572   1.221
 1737    HB2  CYS  76           HB2      CYS  76   1.127  -4.606   3.493
 1738    HB3  CYS  76           HB3      CYS  76   0.540  -3.786   2.046
 1739    HG   CYS  76           HG       CYS  76   1.582  -5.891   0.364
 1740    H    VAL  77           H        VAL  77   3.343  -3.380   4.726
 1741    HA   VAL  77           HA       VAL  77   2.505  -0.675   4.950
 1742    HB   VAL  77           HB       VAL  77   2.863  -2.091   6.941
 1743   HG11  VAL  77          HG11      VAL  77   5.123  -2.561   7.730
 1744   HG12  VAL  77          HG12      VAL  77   4.770  -3.334   6.182
 1745   HG13  VAL  77          HG13      VAL  77   5.769  -1.880   6.232
 1746   HG21  VAL  77          HG21      VAL  77   2.939   0.334   7.250
 1747   HG22  VAL  77          HG22      VAL  77   4.037  -0.484   8.364
 1748   HG23  VAL  77          HG23      VAL  77   4.678   0.326   6.937
 1749    H    PHE  78           H        PHE  78   5.438  -2.259   3.957
 1750    HA   PHE  78           HA       PHE  78   7.165  -0.165   3.464
 1751    HB2  PHE  78           HB2      PHE  78   7.936  -2.344   3.053
 1752    HB3  PHE  78           HB3      PHE  78   6.543  -2.753   2.068
 1753    HD1  PHE  78           HD2      PHE  78   6.414  -2.011  -0.273
 1754    HD2  PHE  78           HD1      PHE  78   9.853  -1.316   2.140
 1755    HE1  PHE  78           HE2      PHE  78   7.741  -1.593  -2.301
 1756    HE2  PHE  78           HE1      PHE  78  11.196  -0.913   0.114
 1757    HZ   PHE  78           HZ       PHE  78  10.138  -1.048  -2.107
 1758    H    LEU  79           H        LEU  79   4.548  -1.397   1.452
 1759    HA   LEU  79           HA       LEU  79   4.878   0.398  -0.682
 1760    HB2  LEU  79           HB2      LEU  79   2.715  -1.429   0.237
 1761    HB3  LEU  79           HB3      LEU  79   2.376  -0.276  -1.041
 1762    HG   LEU  79           HG       LEU  79   4.816  -1.631  -1.652
 1763   HD11  LEU  79          HD11      LEU  79   2.465  -3.397  -1.011
 1764   HD12  LEU  79          HD12      LEU  79   3.867  -3.888  -1.962
 1765   HD13  LEU  79          HD13      LEU  79   4.066  -3.445  -0.270
 1766   HD21  LEU  79          HD21      LEU  79   2.896  -0.466  -2.974
 1767   HD22  LEU  79          HD22      LEU  79   3.841  -1.795  -3.697
 1768   HD23  LEU  79          HD23      LEU  79   2.228  -2.110  -3.024
 1769    H    SER  80           H        SER  80   2.461   0.327   1.884
 1770    HA   SER  80           HA       SER  80   1.236   2.744   1.226
 1771    HB2  SER  80           HB2      SER  80   0.547   2.633   3.712
 1772    HB3  SER  80           HB3      SER  80   0.052   1.343   2.618
 1773    HG   SER  80           HG       SER  80   1.443  -0.015   3.532
 1774    H    CYS  81           H        CYS  81   4.055   2.016   3.160
 1775    HA   CYS  81           HA       CYS  81   4.611   4.521   4.205
 1776    HB2  CYS  81           HB2      CYS  81   6.136   2.928   4.896
 1777    HB3  CYS  81           HB3      CYS  81   6.291   2.226   3.287
 1778    HG   CYS  81           HG       CYS  81   8.244   3.704   2.416
 1779    H    ILE  82           H        ILE  82   5.631   3.161   1.069
 1780    HA   ILE  82           HA       ILE  82   6.948   5.432   0.152
 1781    HB   ILE  82           HB       ILE  82   5.511   3.353  -1.519
 1782   HG12  ILE  82          HG12      ILE  82   8.253   3.520  -0.302
 1783   HG13  ILE  82          HG13      ILE  82   7.137   2.160  -0.347
 1784   HG21  ILE  82          HG21      ILE  82   7.628   5.379  -2.260
 1785   HG22  ILE  82          HG22      ILE  82   7.001   4.113  -3.317
 1786   HG23  ILE  82          HG23      ILE  82   5.936   5.404  -2.761
 1787   HD11  ILE  82          HD11      ILE  82   8.758   3.247  -2.636
 1788   HD12  ILE  82          HD12      ILE  82   9.006   1.722  -1.785
 1789   HD13  ILE  82          HD13      ILE  82   7.559   1.948  -2.774
 1790    H    ALA  83           H        ALA  83   3.595   4.419  -0.435
 1791    HA   ALA  83           HA       ALA  83   2.955   6.547  -2.152
 1792    HB1  ALA  83           HB1      ALA  83   0.736   5.828  -2.002
 1793    HB2  ALA  83           HB2      ALA  83   1.710   4.369  -1.784
 1794    HB3  ALA  83           HB3      ALA  83   0.971   5.158  -0.387
 1795    H    MET  84           H        MET  84   2.561   6.183   1.346
 1796    HA   MET  84           HA       MET  84   1.327   8.746   1.707
 1797    HB2  MET  84           HB2      MET  84   0.782   7.133   3.310
 1798    HB3  MET  84           HB3      MET  84   2.458   6.662   3.531
 1799    HG2  MET  84           HG2      MET  84   2.852   8.919   4.548
 1800    HG3  MET  84           HG3      MET  84   1.100   9.148   4.514
 1801    HE1  MET  84           HE1      MET  84   2.188   5.645   4.656
 1802    HE2  MET  84           HE2      MET  84   3.665   6.218   5.482
 1803    HE3  MET  84           HE3      MET  84   2.462   5.227   6.372
 1804    H    MET  85           H        MET  85   4.578   7.501   1.838
 1805    HA   MET  85           HA       MET  85   5.842   9.812   2.812
 1806    HB2  MET  85           HB2      MET  85   6.742   7.441   2.403
 1807    HB3  MET  85           HB3      MET  85   7.026   7.998   0.750
 1808    HG2  MET  85           HG2      MET  85   8.118  10.010   2.121
 1809    HG3  MET  85           HG3      MET  85   8.390   8.699   3.251
 1810    HE1  MET  85           HE1      MET  85  10.467   6.306   2.057
 1811    HE2  MET  85           HE2      MET  85   8.704   6.510   2.345
 1812    HE3  MET  85           HE3      MET  85   9.322   6.088   0.715
 1813    H    CYS  86           H        CYS  86   4.741   8.764  -0.322
 1814    HA   CYS  86           HA       CYS  86   5.741  10.950  -1.858
 1815    HB2  CYS  86           HB2      CYS  86   5.290   8.851  -2.944
 1816    HB3  CYS  86           HB3      CYS  86   3.627   8.851  -2.370
 1817    HG   CYS  86           HG       CYS  86   3.217   9.387  -4.945
 1818    H    ASN  87           H        ASN  87   3.110  10.548   0.236
 1819    HA   ASN  87           HA       ASN  87   1.087  11.984  -1.001
 1820    HB2  ASN  87           HB2      ASN  87   0.874  10.541   1.034
 1821    HB3  ASN  87           HB3      ASN  87   1.581  11.848   1.977
 1822   HD21  ASN  87          HD21      ASN  87  -0.625  12.336  -0.706
 1823   HD22  ASN  87          HD22      ASN  87  -1.935  12.937   0.245
 1824    H    GLU  88           H        GLU  88   3.970  13.202   0.613
 1825    HA   GLU  88           HA       GLU  88   2.863  15.901   0.565
 1826    HB2  GLU  88           HB2      GLU  88   4.911  16.661   1.574
 1827    HB3  GLU  88           HB3      GLU  88   4.321  15.260   2.451
 1828    HG2  GLU  88           HG2      GLU  88   6.017  13.891   1.648
 1829    HG3  GLU  88           HG3      GLU  88   6.399  14.987   0.319
 1830    H    PHE  89           H        PHE  89   4.849  13.840  -1.331
 1831    HA   PHE  89           HA       PHE  89   6.157  15.947  -2.799
 1832    HB2  PHE  89           HB2      PHE  89   6.054  12.955  -3.183
 1833    HB3  PHE  89           HB3      PHE  89   6.941  14.033  -4.258
 1834    HD1  PHE  89           HD2      PHE  89   8.840  15.362  -3.358
 1835    HD2  PHE  89           HD1      PHE  89   6.944  12.296  -1.103
 1836    HE1  PHE  89           HE2      PHE  89  10.788  15.263  -1.864
 1837    HE2  PHE  89           HE1      PHE  89   8.890  12.191   0.397
 1838    HZ   PHE  89           HZ       PHE  89  10.815  13.677   0.017
 1839    H    PHE  90           H        PHE  90   4.133  13.269  -4.004
 1840    HA   PHE  90           HA       PHE  90   3.668  14.567  -6.482
 1841    HB2  PHE  90           HB2      PHE  90   3.631  12.138  -6.290
 1842    HB3  PHE  90           HB3      PHE  90   2.248  12.217  -5.202
 1843    HD1  PHE  90           HD1      PHE  90   3.388  12.536  -8.664
 1844    HD2  PHE  90           HD2      PHE  90   0.022  12.657  -6.061
 1845    HE1  PHE  90           HE1      PHE  90   1.884  12.395 -10.606
 1846    HE2  PHE  90           HE2      PHE  90  -1.486  12.513  -8.000
 1847    HZ   PHE  90           HZ       PHE  90  -0.554  12.381 -10.275
 1848    H    GLU  91           H        GLU  91   1.649  14.025  -3.644
 1849    HA   GLU  91           HA       GLU  91  -0.675  15.290  -4.554
 1850    HB2  GLU  91           HB2      GLU  91  -0.871  13.935  -2.652
 1851    HB3  GLU  91           HB3      GLU  91   0.478  14.711  -1.845
 1852    HG2  GLU  91           HG2      GLU  91  -1.487  15.377  -0.723
 1853    HG3  GLU  91           HG3      GLU  91  -0.939  16.766  -1.660
 1854    H    GLY  92           H        GLY  92   2.183  16.552  -2.901
 1855    HA2  GLY  92           HA2      GLY  92   2.972  18.756  -2.984
 1856    HA3  GLY  92           HA3      GLY  92   1.450  19.247  -3.717
 1857    H    PHE  93           H        PHE  93   1.459  17.284  -0.885
 1858    HA   PHE  93           HA       PHE  93   0.363  19.491   0.697
 1859    HB2  PHE  93           HB2      PHE  93  -0.792  17.216   0.446
 1860    HB3  PHE  93           HB3      PHE  93   0.503  16.560   1.434
 1861    HD1  PHE  93           HD2      PHE  93  -2.417  18.773   1.390
 1862    HD2  PHE  93           HD1      PHE  93   0.554  16.906   3.796
 1863    HE1  PHE  93           HE2      PHE  93  -3.710  19.328   3.408
 1864    HE2  PHE  93           HE1      PHE  93  -0.736  17.453   5.818
 1865    HZ   PHE  93           HZ       PHE  93  -2.871  18.665   5.626
 1866    HA   PRO  94           HA       PRO  94   4.752  19.316   1.832
 1867    HB2  PRO  94           HB2      PRO  94   5.049  21.871   2.635
 1868    HB3  PRO  94           HB3      PRO  94   4.951  21.415   0.929
 1869    HG2  PRO  94           HG2      PRO  94   2.839  22.551   2.715
 1870    HG3  PRO  94           HG3      PRO  94   3.202  22.936   1.023
 1871    HD2  PRO  94           HD2      PRO  94   1.170  21.275   1.814
 1872    HD3  PRO  94           HD3      PRO  94   1.975  21.172   0.235
 1873    H    ASP  95           H        ASP  95   4.015  17.862   3.570
 1874    HA   ASP  95           HA       ASP  95   3.783  17.220   5.742
 1875    HB2  ASP  95           HB2      ASP  95   5.747  17.732   7.089
 1876    HB3  ASP  95           HB3      ASP  95   6.194  17.375   5.431
 1877    H    LYS  96           H        LYS  96   1.890  19.069   5.343
 1878    HA   LYS  96           HA       LYS  96   1.896  21.255   7.114
 1879    HB2  LYS  96           HB2      LYS  96  -0.281  19.731   5.717
 1880    HB3  LYS  96           HB3      LYS  96  -0.663  21.016   6.850
 1881    HG2  LYS  96           HG2      LYS  96   0.503  22.626   5.494
 1882    HG3  LYS  96           HG3      LYS  96   1.058  21.351   4.404
 1883    HD2  LYS  96           HD2      LYS  96  -1.102  20.968   3.571
 1884    HD3  LYS  96           HD3      LYS  96  -1.864  21.819   4.914
 1885    HE2  LYS  96           HE2      LYS  96  -0.131  23.136   2.828
 1886    HE3  LYS  96           HE3      LYS  96  -1.892  23.071   2.762
 1887    HZ1  LYS  96           HZ1      LYS  96  -1.853  24.173   5.007
 1888    HZ2  LYS  96           HZ2      LYS  96  -1.344  25.136   3.706
 1889    HZ3  LYS  96           HZ3      LYS  96  -0.196  24.463   4.756
 1890    H    GLN  97           H        GLN  97   0.209  21.473   8.860
 1891    HA   GLN  97           HA       GLN  97   0.831  19.907  11.049
 1892    HB2  GLN  97           HB2      GLN  97  -1.703  21.484  10.579
 1893    HB3  GLN  97           HB3      GLN  97  -1.130  20.919  12.142
 1894    HG2  GLN  97           HG2      GLN  97   0.771  22.353  12.043
 1895    HG3  GLN  97           HG3      GLN  97   0.422  22.785  10.371
 1896   HE21  GLN  97          HE21      GLN  97   0.297  24.956  10.805
 1897   HE22  GLN  97          HE22      GLN  97  -1.026  25.665  11.670
 1898    HA   PRO  98           HA       PRO  98  -3.282  17.357  10.379
 1899    HB2  PRO  98           HB2      PRO  98  -3.673  17.604   7.462
 1900    HB3  PRO  98           HB3      PRO  98  -4.863  17.658   8.766
 1901    HG2  PRO  98           HG2      PRO  98  -4.167  19.868   7.436
 1902    HG3  PRO  98           HG3      PRO  98  -4.508  19.906   9.177
 1903    HD2  PRO  98           HD2      PRO  98  -1.869  19.902   7.760
 1904    HD3  PRO  98           HD3      PRO  98  -2.385  20.838   9.178
 1905    H    ARG  99           H        ARG  99  -1.733  15.797  10.796
 1906    HA   ARG  99           HA       ARG  99  -0.858  13.741  10.485
 1907    HB2  ARG  99           HB2      ARG  99  -1.989  13.969   7.695
 1908    HB3  ARG  99           HB3      ARG  99  -1.339  12.499   8.412
 1909    HG2  ARG  99           HG2      ARG  99  -3.698  14.042   9.473
 1910    HG3  ARG  99           HG3      ARG  99  -3.793  12.583   8.484
 1911    HD2  ARG  99           HD2      ARG  99  -3.144  11.223  10.182
 1912    HD3  ARG  99           HD3      ARG  99  -2.113  12.449  10.917
 1913    HE   ARG  99           HE       ARG  99  -4.477  13.482  11.451
 1914   HH11  ARG  99          HH12      ARG  99  -3.531  10.105  11.619
 1915   HH12  ARG  99          HH11      ARG  99  -4.517   9.773  13.009
 1916   HH21  ARG  99          HH22      ARG  99  -5.775  13.033  13.263
 1917   HH22  ARG  99          HH21      ARG  99  -5.793  11.434  13.939
 1918    H    LYS 100           H        LYS 100   1.223  13.443  10.482
 1919    HA   LYS 100           HA       LYS 100   3.020  15.010   8.931
 1920    HB2  LYS 100           HB2      LYS 100   3.715  14.286  11.114
 1921    HB3  LYS 100           HB3      LYS 100   3.423  12.601  10.709
 1922    HG2  LYS 100           HG2      LYS 100   5.261  12.669   9.095
 1923    HG3  LYS 100           HG3      LYS 100   5.555  14.359   9.509
 1924    HD2  LYS 100           HD2      LYS 100   5.714  12.054  11.452
 1925    HD3  LYS 100           HD3      LYS 100   7.100  12.785  10.642
 1926    HE2  LYS 100           HE2      LYS 100   5.193  14.202  12.505
 1927    HE3  LYS 100           HE3      LYS 100   6.813  13.646  12.921
 1928    HZ1  LYS 100           HZ1      LYS 100   7.726  15.154  11.268
 1929    HZ2  LYS 100           HZ2      LYS 100   6.785  16.008  12.391
 1930    HZ3  LYS 100           HZ3      LYS 100   6.168  15.676  10.848
 1931    H    LYS 101           H        LYS 101   3.902  14.586   7.003
 1932    HA   LYS 101           HA       LYS 101   3.194  12.077   5.693
 1933    HB2  LYS 101           HB2      LYS 101   4.472  14.548   4.500
 1934    HB3  LYS 101           HB3      LYS 101   3.861  13.160   3.613
 1935    HG2  LYS 101           HG2      LYS 101   2.279  15.204   5.148
 1936    HG3  LYS 101           HG3      LYS 101   2.251  14.874   3.412
 1937    HD2  LYS 101           HD2      LYS 101   1.126  12.829   3.711
 1938    HD3  LYS 101           HD3      LYS 101   1.485  12.787   5.437
 1939    HE2  LYS 101           HE2      LYS 101  -0.008  14.677   5.807
 1940    HE3  LYS 101           HE3      LYS 101  -0.334  14.776   4.077
 1941    HZ1  LYS 101           HZ1      LYS 101  -0.958  12.414   5.769
 1942    HZ2  LYS 101           HZ2      LYS 101  -1.378  12.638   4.144
 1943    HZ3  LYS 101           HZ3      LYS 101  -2.082  13.608   5.339
  Start of MODEL   20
    1    H1   GLN1897           H1       GLN1897 -20.158 -11.808   2.154
    2    H2   GLN1897           H2       GLN1897 -18.880 -12.493   1.275
    3    H3   GLN1897           H3       GLN1897 -20.430 -12.405   0.587
    4    HA   GLN1897           HA       GLN1897 -18.948 -10.714  -0.322
    5    HB2  GLN1897           HB2      GLN1897 -21.481 -10.379   0.122
    6    HB3  GLN1897           HB3      GLN1897 -20.972  -9.364   1.461
    7    HG2  GLN1897           HG2      GLN1897 -21.353  -7.855  -0.255
    8    HG3  GLN1897           HG3      GLN1897 -19.595  -8.066  -0.313
    9   HE21  GLN1897          HE21      GLN1897 -19.465  -7.495  -2.439
   10   HE22  GLN1897          HE22      GLN1897 -20.016  -8.508  -3.719
   11    H    ARG1898           H        ARG1898 -17.549  -8.963   0.051
   12    HA   ARG1898           HA       ARG1898 -16.620  -7.221   1.080
   13    HB2  ARG1898           HB2      ARG1898 -18.677  -7.022   2.444
   14    HB3  ARG1898           HB3      ARG1898 -17.945  -8.094   3.616
   15    HG2  ARG1898           HG2      ARG1898 -17.593  -5.921   4.445
   16    HG3  ARG1898           HG3      ARG1898 -16.044  -6.411   3.756
   17    HD2  ARG1898           HD2      ARG1898 -18.111  -4.682   2.395
   18    HD3  ARG1898           HD3      ARG1898 -16.631  -4.107   3.154
   19    HE   ARG1898           HE       ARG1898 -15.386  -5.035   1.395
   20   HH11  ARG1898          HH12      ARG1898 -18.826  -5.485   0.902
   21   HH12  ARG1898          HH11      ARG1898 -18.665  -5.800  -0.793
   22   HH21  ARG1898          HH22      ARG1898 -15.188  -5.470  -0.847
   23   HH22  ARG1898          HH21      ARG1898 -16.611  -5.824  -1.767
   24    H    GLU1899           H        GLU1899 -14.990  -8.719   0.448
   25    HA   GLU1899           HA       GLU1899 -13.321 -10.160   2.112
   26    HB2  GLU1899           HB2      GLU1899 -11.533  -9.018   0.576
   27    HB3  GLU1899           HB3      GLU1899 -12.739 -10.079  -0.150
   28    HG2  GLU1899           HG2      GLU1899 -13.508  -7.258   0.111
   29    HG3  GLU1899           HG3      GLU1899 -12.218  -7.568  -1.035
   30    H    LEU1900           H        LEU1900 -13.947  -6.757   1.916
   31    HA   LEU1900           HA       LEU1900 -11.599  -5.729   2.988
   32    HB2  LEU1900           HB2      LEU1900 -14.415  -4.644   2.879
   33    HB3  LEU1900           HB3      LEU1900 -13.123  -3.788   3.685
   34    HG   LEU1900           HG       LEU1900 -13.276  -2.797   1.605
   35   HD11  LEU1900          HD11      LEU1900 -11.006  -3.149   2.196
   36   HD12  LEU1900          HD12      LEU1900 -11.028  -4.772   1.497
   37   HD13  LEU1900          HD13      LEU1900 -11.186  -3.358   0.454
   38   HD21  LEU1900          HD21      LEU1900 -13.379  -5.517   0.402
   39   HD22  LEU1900          HD22      LEU1900 -14.659  -4.302   0.467
   40   HD23  LEU1900          HD23      LEU1900 -13.217  -4.011  -0.506
   41    H    GLU1901           H        GLU1901 -14.273  -7.297   4.569
   42    HA   GLU1901           HA       GLU1901 -14.020  -6.240   7.150
   43    HB2  GLU1901           HB2      GLU1901 -15.888  -7.665   6.497
   44    HB3  GLU1901           HB3      GLU1901 -14.810  -9.043   6.336
   45    HG2  GLU1901           HG2      GLU1901 -14.284  -8.820   8.759
   46    HG3  GLU1901           HG3      GLU1901 -15.514  -7.563   8.861
   47    H    ASP1902           H        ASP1902 -12.451  -9.069   5.685
   48    HA   ASP1902           HA       ASP1902 -10.755  -9.423   8.013
   49    HB2  ASP1902           HB2      ASP1902 -10.755 -10.862   5.349
   50    HB3  ASP1902           HB3      ASP1902  -9.788 -11.312   6.747
   51    H    ALA1903           H        ALA1903 -10.567  -8.254   4.729
   52    HA   ALA1903           HA       ALA1903  -7.779  -8.164   4.446
   53    HB1  ALA1903           HB1      ALA1903  -8.270  -6.535   2.621
   54    HB2  ALA1903           HB2      ALA1903  -9.197  -8.037   2.518
   55    HB3  ALA1903           HB3      ALA1903  -9.960  -6.562   3.123
   56    H    THR1904           H        THR1904  -9.983  -5.400   4.990
   57    HA   THR1904           HA       THR1904  -7.672  -3.774   5.594
   58    HB   THR1904           HB       THR1904  -9.391  -1.908   5.699
   59    HG1  THR1904           HG1      THR1904 -11.163  -3.618   5.939
   60   HG21  THR1904          HG21      THR1904  -9.163  -3.534   3.165
   61   HG22  THR1904          HG22      THR1904  -7.996  -2.340   3.738
   62   HG23  THR1904          HG23      THR1904  -9.617  -1.833   3.259
   63    H    GLU1905           H        GLU1905  -9.608  -5.734   7.402
   64    HA   GLU1905           HA       GLU1905  -9.915  -4.476   9.858
   65    HB2  GLU1905           HB2      GLU1905 -10.478  -6.848   9.362
   66    HB3  GLU1905           HB3      GLU1905  -8.754  -7.203   9.311
   67    HG2  GLU1905           HG2      GLU1905  -9.536  -7.934  11.415
   68    HG3  GLU1905           HG3      GLU1905  -8.612  -6.459  11.693
   69    H    THR1906           H        THR1906  -7.127  -5.985   8.383
   70    HA   THR1906           HA       THR1906  -5.295  -5.454  10.482
   71    HB   THR1906           HB       THR1906  -4.169  -5.905   7.811
   72    HG1  THR1906           HG1      THR1906  -5.752  -7.226   7.237
   73   HG21  THR1906          HG21      THR1906  -3.084  -7.769   8.974
   74   HG22  THR1906          HG22      THR1906  -4.114  -7.496  10.379
   75   HG23  THR1906          HG23      THR1906  -2.936  -6.275   9.901
   76    H    ALA1907           H        ALA1907  -6.683  -3.428   8.193
   77    HA   ALA1907           HA       ALA1907  -4.470  -1.900   7.395
   78    HB1  ALA1907           HB1      ALA1907  -6.071  -0.135   6.790
   79    HB2  ALA1907           HB2      ALA1907  -6.584  -1.724   6.199
   80    HB3  ALA1907           HB3      ALA1907  -7.345  -1.021   7.630
   81    H    ASP1908           H        ASP1908  -6.814  -1.433  10.005
   82    HA   ASP1908           HA       ASP1908  -5.739   0.832  11.179
   83    HB2  ASP1908           HB2      ASP1908  -7.857  -0.161  11.891
   84    HB3  ASP1908           HB3      ASP1908  -7.005  -1.558  12.537
   85    H    ALA1909           H        ALA1909  -4.718  -2.540  11.464
   86    HA   ALA1909           HA       ALA1909  -2.777  -2.148  13.494
   87    HB1  ALA1909           HB1      ALA1909  -3.659  -4.356  12.924
   88    HB2  ALA1909           HB2      ALA1909  -2.864  -4.269  11.351
   89    HB3  ALA1909           HB3      ALA1909  -1.898  -4.321  12.826
   90    H    MET1910           H        MET1910  -2.188  -2.764  10.008
   91    HA   MET1910           HA       MET1910   0.410  -2.008   9.788
   92    HB2  MET1910           HB2      MET1910  -0.626  -2.875   7.869
   93    HB3  MET1910           HB3      MET1910  -1.890  -1.656   7.883
   94    HG2  MET1910           HG2      MET1910  -0.324   0.050   7.146
   95    HG3  MET1910           HG3      MET1910   1.017  -1.097   7.265
   96    HE1  MET1910           HE1      MET1910  -0.070  -3.698   4.471
   97    HE2  MET1910           HE2      MET1910   1.103  -3.359   5.747
   98    HE3  MET1910           HE3      MET1910  -0.572  -3.732   6.160
   99    H    ASN1911           H        ASN1911  -2.271   0.193  10.300
  100    HA   ASN1911           HA       ASN1911  -0.964   2.478   9.238
  101    HB2  ASN1911           HB2      ASN1911  -3.456   2.182   9.721
  102    HB3  ASN1911           HB3      ASN1911  -3.051   2.589  11.383
  103   HD21  ASN1911          HD21      ASN1911  -3.014   3.688   8.110
  104   HD22  ASN1911          HD22      ASN1911  -2.903   5.373   8.449
  105    H    ARG1912           H        ARG1912  -0.781   0.910  12.345
  106    HA   ARG1912           HA       ARG1912   0.332   3.140  13.727
  107    HB2  ARG1912           HB2      ARG1912  -0.023   0.221  14.242
  108    HB3  ARG1912           HB3      ARG1912   1.103   1.119  15.234
  109    HG2  ARG1912           HG2      ARG1912  -1.181   0.885  16.188
  110    HG3  ARG1912           HG3      ARG1912  -0.615   2.548  16.048
  111    HD2  ARG1912           HD2      ARG1912  -1.985   1.745  13.650
  112    HD3  ARG1912           HD3      ARG1912  -3.003   1.455  15.066
  113    HE   ARG1912           HE       ARG1912  -1.918   4.015  15.313
  114   HH11  ARG1912          HH12      ARG1912  -4.113   2.263  13.230
  115   HH12  ARG1912          HH11      ARG1912  -5.004   3.680  12.759
  116   HH21  ARG1912          HH22      ARG1912  -3.115   5.886  14.707
  117   HH22  ARG1912          HH21      ARG1912  -4.435   5.736  13.589
  118    H    GLU1913           H        GLU1913   1.599   0.296  12.084
  119    HA   GLU1913           HA       GLU1913   4.335   1.013  12.584
  120    HB2  GLU1913           HB2      GLU1913   4.865  -0.849  11.065
  121    HB3  GLU1913           HB3      GLU1913   3.716  -1.331  12.307
  122    HG2  GLU1913           HG2      GLU1913   1.888  -1.018  10.684
  123    HG3  GLU1913           HG3      GLU1913   3.088  -0.652   9.442
  124    H    VAL1914           H        VAL1914   2.022   1.415   9.959
  125    HA   VAL1914           HA       VAL1914   3.795   1.992   7.877
  126    HB   VAL1914           HB       VAL1914   1.226   1.568   7.822
  127   HG11  VAL1914          HG11      VAL1914  -0.107   3.615   7.509
  128   HG12  VAL1914          HG12      VAL1914   0.478   3.408   9.166
  129   HG13  VAL1914          HG13      VAL1914   1.272   4.558   8.081
  130   HG21  VAL1914          HG21      VAL1914   2.520   1.837   5.819
  131   HG22  VAL1914          HG22      VAL1914   0.999   2.720   5.675
  132   HG23  VAL1914          HG23      VAL1914   2.498   3.592   6.000
  133    H    SER1915           H        SER1915   2.449   4.094  10.354
  134    HA   SER1915           HA       SER1915   3.371   6.444   9.039
  135    HB2  SER1915           HB2      SER1915   1.453   6.545  10.426
  136    HB3  SER1915           HB3      SER1915   2.346   5.969  11.837
  137    HG   SER1915           HG       SER1915   2.032   8.473  10.947
  138    H    SER1916           H        SER1916   4.598   4.259  11.492
  139    HA   SER1916           HA       SER1916   6.923   5.802  12.119
  140    HB2  SER1916           HB2      SER1916   6.383   2.848  12.513
  141    HB3  SER1916           HB3      SER1916   7.576   3.820  13.359
  142    HG   SER1916           HG       SER1916   5.182   3.379  14.167
  143    H    LEU1917           H        LEU1917   6.272   2.920  10.197
  144    HA   LEU1917           HA       LEU1917   8.714   2.439   9.005
  145    HB2  LEU1917           HB2      LEU1917   6.775   0.952   8.909
  146    HB3  LEU1917           HB3      LEU1917   5.876   2.125   7.989
  147    HG   LEU1917           HG       LEU1917   6.373   0.879   6.225
  148   HD11  LEU1917          HD11      LEU1917   7.879   2.736   5.841
  149   HD12  LEU1917          HD12      LEU1917   9.199   1.789   6.537
  150   HD13  LEU1917          HD13      LEU1917   8.401   1.238   5.061
  151   HD21  LEU1917          HD21      LEU1917   6.982  -1.011   7.548
  152   HD22  LEU1917          HD22      LEU1917   8.033  -0.880   6.131
  153   HD23  LEU1917          HD23      LEU1917   8.629  -0.396   7.726
  154    H    LYS1918           H        LYS1918   5.994   4.247   7.508
  155    HA   LYS1918           HA       LYS1918   7.440   5.190   5.356
  156    HB2  LYS1918           HB2      LYS1918   5.251   5.531   4.983
  157    HB3  LYS1918           HB3      LYS1918   4.915   5.913   6.662
  158    HG2  LYS1918           HG2      LYS1918   6.458   7.926   5.176
  159    HG3  LYS1918           HG3      LYS1918   4.790   7.670   4.644
  160    HD2  LYS1918           HD2      LYS1918   3.892   8.237   6.735
  161    HD3  LYS1918           HD3      LYS1918   5.440   8.000   7.542
  162    HE2  LYS1918           HE2      LYS1918   6.368   9.939   6.436
  163    HE3  LYS1918           HE3      LYS1918   4.868  10.172   5.541
  164    HZ1  LYS1918           HZ1      LYS1918   5.152  11.640   7.521
  165    HZ2  LYS1918           HZ2      LYS1918   5.038  10.267   8.506
  166    HZ3  LYS1918           HZ3      LYS1918   3.730  10.725   7.537
  167    H    ASN1919           H        ASN1919   7.361   6.392   8.614
  168    HA   ASN1919           HA       ASN1919   8.691   8.859   8.023
  169    HB2  ASN1919           HB2      ASN1919   7.180   8.699   9.936
  170    HB3  ASN1919           HB3      ASN1919   8.203   7.468  10.662
  171   HD21  ASN1919          HD21      ASN1919  10.041   8.059  11.731
  172   HD22  ASN1919          HD22      ASN1919  10.465   9.706  12.049
  173    H    LYS1920           H        LYS1920   9.783   5.570   8.600
  174    HA   LYS1920           HA       LYS1920  12.366   6.539   9.510
  175    HB2  LYS1920           HB2      LYS1920  12.895   4.171   9.860
  176    HB3  LYS1920           HB3      LYS1920  11.410   4.616  10.681
  177    HG2  LYS1920           HG2      LYS1920  10.121   3.582   8.815
  178    HG3  LYS1920           HG3      LYS1920  11.642   3.095   8.116
  179    HD2  LYS1920           HD2      LYS1920  10.457   2.220  10.737
  180    HD3  LYS1920           HD3      LYS1920  10.784   1.222   9.321
  181    HE2  LYS1920           HE2      LYS1920  13.200   1.617   9.644
  182    HE3  LYS1920           HE3      LYS1920  12.832   2.535  11.104
  183    HZ1  LYS1920           HZ1      LYS1920  12.499  -0.361  10.621
  184    HZ2  LYS1920           HZ2      LYS1920  11.637   0.422  11.850
  185    HZ3  LYS1920           HZ3      LYS1920  13.334   0.415  11.877
  186    H    LEU1921           H        LEU1921  10.670   5.352   6.765
  187    HA   LEU1921           HA       LEU1921  12.964   5.157   5.066
  188    HB2  LEU1921           HB2      LEU1921  10.119   5.754   4.237
  189    HB3  LEU1921           HB3      LEU1921  11.395   5.074   3.247
  190    HG   LEU1921           HG       LEU1921   9.816   3.743   5.427
  191   HD11  LEU1921          HD11      LEU1921  10.400   2.963   2.578
  192   HD12  LEU1921          HD12      LEU1921   9.388   2.074   3.722
  193   HD13  LEU1921          HD13      LEU1921   8.898   3.678   3.168
  194   HD21  LEU1921          HD21      LEU1921  12.151   3.213   5.865
  195   HD22  LEU1921          HD22      LEU1921  11.288   1.805   5.247
  196   HD23  LEU1921          HD23      LEU1921  12.363   2.716   4.186
  197    H    ARG1922           H        ARG1922  10.749   7.607   6.129
  198    HA   ARG1922           HA       ARG1922  11.775   9.726   4.500
  199    HB2  ARG1922           HB2      ARG1922   9.936   9.566   6.866
  200    HB3  ARG1922           HB3      ARG1922  10.503  11.120   6.300
  201    HG2  ARG1922           HG2      ARG1922   8.856   9.117   4.784
  202    HG3  ARG1922           HG3      ARG1922   8.353  10.705   5.364
  203    HD2  ARG1922           HD2      ARG1922  10.356  10.096   3.197
  204    HD3  ARG1922           HD3      ARG1922   8.771  10.839   3.011
  205    HE   ARG1922           HE       ARG1922   9.692  12.737   4.348
  206   HH11  ARG1922          HH12      ARG1922  11.789  10.617   2.524
  207   HH12  ARG1922          HH11      ARG1922  13.057  11.794   2.358
  208   HH21  ARG1922          HH22      ARG1922  11.329  14.293   4.119
  209   HH22  ARG1922          HH21      ARG1922  12.790  13.893   3.266
  210    H    ARG1923           H        ARG1923  13.272   8.080   6.878
  211    HA   ARG1923           HA       ARG1923  14.162  10.163   8.599
  212    HB2  ARG1923           HB2      ARG1923  14.084   7.626   9.056
  213    HB3  ARG1923           HB3      ARG1923  15.615   7.558   8.196
  214    HG2  ARG1923           HG2      ARG1923  16.680   8.932   9.808
  215    HG3  ARG1923           HG3      ARG1923  15.143   9.331  10.576
  216    HD2  ARG1923           HD2      ARG1923  16.089   7.728  11.988
  217    HD3  ARG1923           HD3      ARG1923  14.925   6.822  11.025
  218    HE   ARG1923           HE       ARG1923  17.618   6.814   9.966
  219   HH11  ARG1923          HH12      ARG1923  15.267   5.194  12.003
  220   HH12  ARG1923          HH11      ARG1923  16.172   3.708  12.092
  221   HH21  ARG1923          HH22      ARG1923  18.825   4.861  10.084
  222   HH22  ARG1923          HH21      ARG1923  18.191   3.518  10.991
  223    H    GLY1924           H        GLY1924  15.783   8.376   5.964
  224    HA2  GLY1924           HA2      GLY1924  16.912  10.031   4.376
  225    HA3  GLY1924           HA3      GLY1924  17.755  10.570   5.825
  226    H    ASP1925           H        ASP1925  17.408   7.575   6.552
  227    HA   ASP1925           HA       ASP1925  20.001   6.696   5.769
  228    HB2  ASP1925           HB2      ASP1925  17.682   5.298   7.119
  229    HB3  ASP1925           HB3      ASP1925  19.268   4.570   6.893
  230    H    LEU1926           H        LEU1926  16.980   6.651   4.281
  231    HA   LEU1926           HA       LEU1926  17.117   4.083   3.063
  232    HB2  LEU1926           HB2      LEU1926  15.306   6.424   2.900
  233    HB3  LEU1926           HB3      LEU1926  15.275   5.275   1.578
  234    HG   LEU1926           HG       LEU1926  14.030   5.100   4.170
  235   HD11  LEU1926          HD11      LEU1926  14.006   3.296   1.747
  236   HD12  LEU1926          HD12      LEU1926  12.818   3.310   3.053
  237   HD13  LEU1926          HD13      LEU1926  12.979   4.711   1.991
  238   HD21  LEU1926          HD21      LEU1926  16.050   3.834   4.791
  239   HD22  LEU1926          HD22      LEU1926  14.611   2.816   4.733
  240   HD23  LEU1926          HD23      LEU1926  15.784   2.757   3.419
  241    HA   PRO1927           HA       PRO1927  19.374   5.179  -0.655
  242    HB2  PRO1927           HB2      PRO1927  19.051   2.765  -1.835
  243    HB3  PRO1927           HB3      PRO1927  20.259   3.053  -0.583
  244    HG2  PRO1927           HG2      PRO1927  17.584   1.749  -0.377
  245    HG3  PRO1927           HG3      PRO1927  19.109   1.312   0.414
  246    HD2  PRO1927           HD2      PRO1927  17.091   2.679   1.651
  247    HD3  PRO1927           HD3      PRO1927  18.799   2.815   2.109
  248    H    PHE1928           H        PHE1928  16.140   4.349  -0.115
  249    HA   PHE1928           HA       PHE1928  15.424   5.009  -2.872
  250    HB2  PHE1928           HB2      PHE1928  14.349   3.057  -3.211
  251    HB3  PHE1928           HB3      PHE1928  15.281   2.478  -1.865
  252    HD1  PHE1928           HD2      PHE1928  12.157   4.360  -2.388
  253    HD2  PHE1928           HD1      PHE1928  14.131   1.216  -0.344
  254    HE1  PHE1928           HE2      PHE1928  10.076   3.832  -1.184
  255    HE2  PHE1928           HE1      PHE1928  12.071   0.684   0.859
  256    HZ   PHE1928           HZ       PHE1928  10.071   1.798   0.371
  257    H    VAL1929           H        VAL1929  13.604   6.193  -3.138
  258    HA   VAL1929           HA       VAL1929  11.808   6.841  -1.000
  259    HB   VAL1929           HB       VAL1929  12.323   9.341  -1.249
  260   HG11  VAL1929          HG11      VAL1929  13.995   9.289   0.519
  261   HG12  VAL1929          HG12      VAL1929  12.726   8.091   0.797
  262   HG13  VAL1929          HG13      VAL1929  14.294   7.582   0.178
  263   HG21  VAL1929          HG21      VAL1929  14.928   8.161  -2.184
  264   HG22  VAL1929          HG22      VAL1929  13.781   9.060  -3.176
  265   HG23  VAL1929          HG23      VAL1929  14.628   9.873  -1.853
  266    H    VAL1930           H        VAL1930  10.108   8.258  -1.721
  267    HA   VAL1930           HA       VAL1930   9.569   8.044  -4.501
  268    HB   VAL1930           HB       VAL1930   8.167   9.776  -2.466
  269   HG11  VAL1930          HG11      VAL1930   7.746  10.470  -4.761
  270   HG12  VAL1930          HG12      VAL1930   7.310   8.818  -5.196
  271   HG13  VAL1930          HG13      VAL1930   6.308   9.726  -4.065
  272   HG21  VAL1930          HG21      VAL1930   6.519   7.970  -2.365
  273   HG22  VAL1930          HG22      VAL1930   7.534   6.994  -3.428
  274   HG23  VAL1930          HG23      VAL1930   8.112   7.434  -1.818
  275    HA   PRO1931           HA       PRO1931  11.731  11.770  -5.856
  276    HB2  PRO1931           HB2      PRO1931  10.255  11.826  -8.227
  277    HB3  PRO1931           HB3      PRO1931  11.811  11.024  -8.005
  278    HG2  PRO1931           HG2      PRO1931   9.058   9.873  -7.969
  279    HG3  PRO1931           HG3      PRO1931  10.571   9.165  -8.574
  280    HD2  PRO1931           HD2      PRO1931   9.478   8.416  -6.237
  281    HD3  PRO1931           HD3      PRO1931  11.241   8.485  -6.455
  282    H    ARG1932           H        ARG1932  10.839  13.920  -6.754
  283    HA   ARG1932           HA       ARG1932   8.872  14.781  -4.891
  284    HB2  ARG1932           HB2      ARG1932  10.216  16.220  -7.174
  285    HB3  ARG1932           HB3      ARG1932   9.115  16.999  -6.043
  286    HG2  ARG1932           HG2      ARG1932  10.595  16.432  -4.192
  287    HG3  ARG1932           HG3      ARG1932  11.692  15.623  -5.312
  288    HD2  ARG1932           HD2      ARG1932  12.095  17.728  -6.460
  289    HD3  ARG1932           HD3      ARG1932  10.957  18.544  -5.391
  290    HE   ARG1932           HE       ARG1932  12.641  17.631  -3.589
  291   HH11  ARG1932          HH12      ARG1932  13.361  19.017  -6.727
  292   HH12  ARG1932          HH11      ARG1932  14.895  19.671  -6.225
  293   HH21  ARG1932          HH22      ARG1932  14.664  18.490  -2.932
  294   HH22  ARG1932          HH21      ARG1932  15.628  19.373  -4.074
  295    H    ARG1933           H        ARG1933   8.522  13.191  -7.701
  296    HA   ARG1933           HA       ARG1933   5.692  13.493  -7.633
  297    HB2  ARG1933           HB2      ARG1933   5.430  14.133 -10.014
  298    HB3  ARG1933           HB3      ARG1933   6.153  15.411  -9.050
  299    HG2  ARG1933           HG2      ARG1933   8.382  14.699  -9.893
  300    HG3  ARG1933           HG3      ARG1933   7.556  13.564 -10.964
  301    HD2  ARG1933           HD2      ARG1933   8.087  15.621 -12.146
  302    HD3  ARG1933           HD3      ARG1933   6.342  15.425 -11.993
  303    HE   ARG1933           HE       ARG1933   7.472  16.991  -9.877
  304   HH11  ARG1933          HH12      ARG1933   6.275  17.092 -13.163
  305   HH12  ARG1933          HH11      ARG1933   5.937  18.797 -13.119
  306   HH21  ARG1933          HH22      ARG1933   7.023  19.216  -9.800
  307   HH22  ARG1933          HH21      ARG1933   6.347  20.009 -11.195
  308    H    MET1934           H        MET1934   5.072  12.234 -10.043
  309    HA   MET1934           HA       MET1934   6.170   9.605  -9.494
  310    HB2  MET1934           HB2      MET1934   3.882  10.599 -11.153
  311    HB3  MET1934           HB3      MET1934   4.477   8.949 -11.337
  312    HG2  MET1934           HG2      MET1934   3.499  10.207  -8.782
  313    HG3  MET1934           HG3      MET1934   2.628   9.028  -9.768
  314    HE1  MET1934           HE1      MET1934   4.001   9.152  -6.514
  315    HE2  MET1934           HE2      MET1934   2.623   8.159  -7.000
  316    HE3  MET1934           HE3      MET1934   4.051   7.401  -6.291
  317    H    ALA1935           H        ALA1935   7.741  11.718 -10.711
  318    HA   ALA1935           HA       ALA1935   8.452  11.768 -13.257
  319    HB1  ALA1935           HB1      ALA1935   9.684  12.841 -11.439
  320    HB2  ALA1935           HB2      ALA1935  10.376  11.281 -10.989
  321    HB3  ALA1935           HB3      ALA1935  10.772  12.007 -12.551
  322    H    MET   1           H1       MET   1   2.105  -3.886 -21.256
  323    HA   MET   1           HA       MET   1  -0.090  -3.101 -19.436
  324    HB2  MET   1           HB2      MET   1   1.941  -5.302 -19.417
  325    HB3  MET   1           HB3      MET   1   1.389  -4.625 -17.891
  326    HG2  MET   1           HG2      MET   1  -0.374  -5.837 -20.006
  327    HG3  MET   1           HG3      MET   1   0.139  -6.622 -18.511
  328    HE1  MET   1           HE1      MET   1  -2.915  -6.422 -19.309
  329    HE2  MET   1           HE2      MET   1  -2.342  -7.139 -17.803
  330    HE3  MET   1           HE3      MET   1  -3.629  -5.934 -17.772
  331    H    ALA   2           H        ALA   2   0.771  -2.368 -17.321
  332    HA   ALA   2           HA       ALA   2   2.930  -0.442 -17.805
  333    HB1  ALA   2           HB1      ALA   2   0.932  -0.560 -15.548
  334    HB2  ALA   2           HB2      ALA   2   2.039   0.765 -15.906
  335    HB3  ALA   2           HB3      ALA   2   0.729   0.384 -17.025
  336    H    CYS   3           H        CYS   3   4.315   0.023 -15.770
  337    HA   CYS   3           HA       CYS   3   5.568  -2.344 -14.873
  338    HB2  CYS   3           HB2      CYS   3   5.749   0.464 -13.750
  339    HB3  CYS   3           HB3      CYS   3   6.864  -0.856 -13.411
  340    HG   CYS   3           HG       CYS   3   8.181   0.871 -15.110
  341    HA   PRO   4           HA       PRO   4   2.097  -3.441 -12.351
  342    HB2  PRO   4           HB2      PRO   4   4.253  -5.174 -11.203
  343    HB3  PRO   4           HB3      PRO   4   2.596  -5.605 -11.665
  344    HG2  PRO   4           HG2      PRO   4   4.542  -6.254 -13.291
  345    HG3  PRO   4           HG3      PRO   4   3.091  -5.491 -13.967
  346    HD2  PRO   4           HD2      PRO   4   5.770  -4.283 -13.390
  347    HD3  PRO   4           HD3      PRO   4   4.707  -4.048 -14.795
  348    H    LEU   5           H        LEU   5   5.174  -3.539 -10.537
  349    HA   LEU   5           HA       LEU   5   3.860  -2.859  -8.112
  350    HB2  LEU   5           HB2      LEU   5   6.211  -4.063  -8.712
  351    HB3  LEU   5           HB3      LEU   5   6.782  -2.463  -8.288
  352    HG   LEU   5           HG       LEU   5   6.849  -4.046  -6.388
  353   HD11  LEU   5          HD11      LEU   5   4.894  -1.784  -6.039
  354   HD12  LEU   5          HD12      LEU   5   5.756  -2.615  -4.744
  355   HD13  LEU   5          HD13      LEU   5   6.649  -1.671  -5.935
  356   HD21  LEU   5          HD21      LEU   5   3.848  -4.031  -6.660
  357   HD22  LEU   5          HD22      LEU   5   4.917  -5.403  -6.956
  358   HD23  LEU   5          HD23      LEU   5   4.760  -4.742  -5.328
  359    H    GLU   6           H        GLU   6   5.540  -1.029 -10.590
  360    HA   GLU   6           HA       GLU   6   5.913   1.353  -9.179
  361    HB2  GLU   6           HB2      GLU   6   6.923   1.018 -11.374
  362    HB3  GLU   6           HB3      GLU   6   5.331   0.981 -12.120
  363    HG2  GLU   6           HG2      GLU   6   4.984   3.319 -11.340
  364    HG3  GLU   6           HG3      GLU   6   6.656   3.327 -10.784
  365    H    LYS   7           H        LYS   7   3.217   0.237 -11.167
  366    HA   LYS   7           HA       LYS   7   1.617   2.502 -10.949
  367    HB2  LYS   7           HB2      LYS   7   0.905  -0.396 -11.366
  368    HB3  LYS   7           HB3      LYS   7  -0.305   0.875 -11.351
  369    HG2  LYS   7           HG2      LYS   7   2.038   0.736 -13.239
  370    HG3  LYS   7           HG3      LYS   7   0.392   0.231 -13.617
  371    HD2  LYS   7           HD2      LYS   7   0.454   2.368 -14.502
  372    HD3  LYS   7           HD3      LYS   7  -0.234   2.655 -12.904
  373    HE2  LYS   7           HE2      LYS   7   1.977   3.285 -12.068
  374    HE3  LYS   7           HE3      LYS   7   2.666   2.998 -13.665
  375    HZ1  LYS   7           HZ1      LYS   7   0.752   5.111 -12.854
  376    HZ2  LYS   7           HZ2      LYS   7   1.043   4.725 -14.480
  377    HZ3  LYS   7           HZ3      LYS   7   2.306   5.301 -13.510
  378    H    ALA   8           H        ALA   8   1.968  -0.258  -8.786
  379    HA   ALA   8           HA       ALA   8  -0.226   0.011  -7.170
  380    HB1  ALA   8           HB1      ALA   8   1.412  -1.781  -6.935
  381    HB2  ALA   8           HB2      ALA   8   2.567  -0.636  -6.251
  382    HB3  ALA   8           HB3      ALA   8   1.076  -1.005  -5.388
  383    H    LEU   9           H        LEU   9   2.861   1.761  -6.776
  384    HA   LEU   9           HA       LEU   9   1.817   3.279  -4.561
  385    HB2  LEU   9           HB2      LEU   9   4.334   3.772  -6.153
  386    HB3  LEU   9           HB3      LEU   9   3.929   4.487  -4.607
  387    HG   LEU   9           HG       LEU   9   5.418   2.843  -3.994
  388   HD11  LEU   9          HD11      LEU   9   3.394   2.588  -2.700
  389   HD12  LEU   9          HD12      LEU   9   2.744   1.465  -3.895
  390   HD13  LEU   9          HD13      LEU   9   4.166   1.022  -2.950
  391   HD21  LEU   9          HD21      LEU   9   5.524   0.604  -4.934
  392   HD22  LEU   9          HD22      LEU   9   4.153   0.969  -5.982
  393   HD23  LEU   9          HD23      LEU   9   5.679   1.832  -6.195
  394    H    ASP  10           H        ASP  10   2.539   3.905  -7.951
  395    HA   ASP  10           HA       ASP  10   2.035   6.647  -8.035
  396    HB2  ASP  10           HB2      ASP  10   3.063   5.642  -9.918
  397    HB3  ASP  10           HB3      ASP  10   1.777   4.456 -10.091
  398    H    VAL  11           H        VAL  11  -0.193   3.934  -8.525
  399    HA   VAL  11           HA       VAL  11  -2.356   5.632  -9.255
  400    HB   VAL  11           HB       VAL  11  -3.736   3.690  -9.319
  401   HG11  VAL  11          HG11      VAL  11  -0.960   2.981 -10.254
  402   HG12  VAL  11          HG12      VAL  11  -2.470   2.286 -10.843
  403   HG13  VAL  11          HG13      VAL  11  -2.116   3.992 -11.125
  404   HG21  VAL  11          HG21      VAL  11  -3.114   2.662  -7.215
  405   HG22  VAL  11          HG22      VAL  11  -2.970   1.495  -8.530
  406   HG23  VAL  11          HG23      VAL  11  -1.524   2.252  -7.859
  407    H    MET  12           H        MET  12  -1.137   4.513  -6.190
  408    HA   MET  12           HA       MET  12  -3.508   4.699  -4.697
  409    HB2  MET  12           HB2      MET  12  -0.668   5.282  -3.857
  410    HB3  MET  12           HB3      MET  12  -2.029   5.278  -2.744
  411    HG2  MET  12           HG2      MET  12  -2.393   2.869  -3.757
  412    HG3  MET  12           HG3      MET  12  -0.670   3.020  -4.096
  413    HE1  MET  12           HE1      MET  12  -1.378   0.736  -2.614
  414    HE2  MET  12           HE2      MET  12   0.322   1.120  -2.337
  415    HE3  MET  12           HE3      MET  12  -0.728   0.724  -0.972
  416    H    VAL  13           H        VAL  13  -1.003   7.191  -5.218
  417    HA   VAL  13           HA       VAL  13  -2.644   9.219  -4.033
  418    HB   VAL  13           HB       VAL  13  -0.916  10.812  -4.776
  419   HG11  VAL  13          HG11      VAL  13   0.163   8.324  -3.458
  420   HG12  VAL  13          HG12      VAL  13   0.938   9.913  -3.434
  421   HG13  VAL  13          HG13      VAL  13  -0.629   9.681  -2.654
  422   HG21  VAL  13          HG21      VAL  13  -0.291   9.802  -6.881
  423   HG22  VAL  13          HG22      VAL  13   1.125   9.998  -5.846
  424   HG23  VAL  13          HG23      VAL  13   0.383   8.409  -6.035
  425    H    SER  14           H        SER  14  -2.093   8.043  -7.268
  426    HA   SER  14           HA       SER  14  -3.191  10.234  -8.683
  427    HB2  SER  14           HB2      SER  14  -1.780   8.501  -9.737
  428    HB3  SER  14           HB3      SER  14  -3.051   7.310  -9.471
  429    HG   SER  14           HG       SER  14  -2.924   8.344 -11.613
  430    H    THR  15           H        THR  15  -4.601   7.070  -7.838
  431    HA   THR  15           HA       THR  15  -7.223   7.738  -8.676
  432    HB   THR  15           HB       THR  15  -6.506   5.609  -6.654
  433    HG1  THR  15           HG1      THR  15  -5.189   5.034  -8.258
  434   HG21  THR  15          HG21      THR  15  -8.378   4.406  -7.642
  435   HG22  THR  15          HG22      THR  15  -8.630   5.716  -8.797
  436   HG23  THR  15          HG23      THR  15  -8.908   5.993  -7.077
  437    H    PHE  16           H        PHE  16  -5.450   8.080  -5.696
  438    HA   PHE  16           HA       PHE  16  -7.391   8.741  -3.854
  439    HB2  PHE  16           HB2      PHE  16  -4.944   8.604  -3.424
  440    HB3  PHE  16           HB3      PHE  16  -4.731  10.124  -4.277
  441    HD1  PHE  16           HD2      PHE  16  -6.255   8.573  -1.294
  442    HD2  PHE  16           HD1      PHE  16  -5.000  12.174  -3.179
  443    HE1  PHE  16           HE2      PHE  16  -6.541   9.778   0.830
  444    HE2  PHE  16           HE1      PHE  16  -5.280  13.386  -1.060
  445    HZ   PHE  16           HZ       PHE  16  -6.053  12.190   0.948
  446    H    HIS  17           H        HIS  17  -5.608  11.107  -5.851
  447    HA   HIS  17           HA       HIS  17  -7.316  13.286  -5.336
  448    HB2  HIS  17           HB2      HIS  17  -5.361  12.699  -7.554
  449    HB3  HIS  17           HB3      HIS  17  -6.314  14.176  -7.548
  450    HD1  HIS  17           HD1      HIS  17  -5.207  16.095  -6.484
  451    HD2  HIS  17           HD2      HIS  17  -3.764  12.478  -5.018
  452    HE1  HIS  17           HE1      HIS  17  -3.351  16.693  -4.906
  453    HE2  HIS  17           HE2      HIS  17  -2.743  14.521  -3.804
  454    H    LYS  18           H        LYS  18  -7.465  10.698  -7.630
  455    HA   LYS  18           HA       LYS  18  -9.062  11.799  -9.616
  456    HB2  LYS  18           HB2      LYS  18  -7.820   9.672  -9.777
  457    HB3  LYS  18           HB3      LYS  18  -8.964   8.931  -8.673
  458    HG2  LYS  18           HG2      LYS  18 -10.755   9.278 -10.310
  459    HG3  LYS  18           HG3      LYS  18  -9.585   9.997 -11.421
  460    HD2  LYS  18           HD2      LYS  18  -8.327   7.909 -11.467
  461    HD3  LYS  18           HD3      LYS  18  -9.459   7.188 -10.322
  462    HE2  LYS  18           HE2      LYS  18 -11.271   7.528 -11.977
  463    HE3  LYS  18           HE3      LYS  18 -10.070   8.119 -13.123
  464    HZ1  LYS  18           HZ1      LYS  18 -10.192   5.393 -11.937
  465    HZ2  LYS  18           HZ2      LYS  18  -8.941   5.953 -12.934
  466    HZ3  LYS  18           HZ3      LYS  18 -10.516   5.814 -13.550
  467    H    TYR  19           H        TYR  19 -10.011  10.402  -6.502
  468    HA   TYR  19           HA       TYR  19 -12.816  10.862  -7.286
  469    HB2  TYR  19           HB2      TYR  19 -11.724   8.736  -5.441
  470    HB3  TYR  19           HB3      TYR  19 -13.437   9.045  -5.711
  471    HD1  TYR  19           HD1      TYR  19 -14.322   8.808  -8.098
  472    HD2  TYR  19           HD2      TYR  19 -10.530   7.328  -6.876
  473    HE1  TYR  19           HE1      TYR  19 -14.268   7.334 -10.063
  474    HE2  TYR  19           HE2      TYR  19 -10.473   5.850  -8.835
  475    HH   TYR  19           HH       TYR  19 -11.828   4.881 -10.464
  476    H    SER  20           H        SER  20 -10.453  11.333  -4.718
  477    HA   SER  20           HA       SER  20 -12.272  11.975  -2.665
  478    HB2  SER  20           HB2      SER  20 -10.299  13.112  -1.592
  479    HB3  SER  20           HB3      SER  20  -9.986  11.455  -2.121
  480    HG   SER  20           HG       SER  20  -8.703  12.156  -3.678
  481    H    GLY  21           H        GLY  21 -10.674  14.002  -5.085
  482    HA2  GLY  21           HA2      GLY  21 -11.797  16.427  -4.010
  483    HA3  GLY  21           HA3      GLY  21 -10.851  16.278  -5.481
  484    H    LYS  22           H        LYS  22 -13.721  14.333  -4.920
  485    HA   LYS  22           HA       LYS  22 -15.026  15.820  -7.089
  486    HB2  LYS  22           HB2      LYS  22 -15.462  13.028  -6.039
  487    HB3  LYS  22           HB3      LYS  22 -16.582  13.809  -7.148
  488    HG2  LYS  22           HG2      LYS  22 -14.638  14.109  -8.714
  489    HG3  LYS  22           HG3      LYS  22 -13.715  13.061  -7.635
  490    HD2  LYS  22           HD2      LYS  22 -15.373  11.285  -7.946
  491    HD3  LYS  22           HD3      LYS  22 -16.289  12.332  -9.033
  492    HE2  LYS  22           HE2      LYS  22 -14.291  12.453 -10.503
  493    HE3  LYS  22           HE3      LYS  22 -13.496  11.283  -9.451
  494    HZ1  LYS  22           HZ1      LYS  22 -15.907  10.862 -11.122
  495    HZ2  LYS  22           HZ2      LYS  22 -15.412   9.765  -9.930
  496    HZ3  LYS  22           HZ3      LYS  22 -14.403  10.094 -11.254
  497    H    GLU  23           H        GLU  23 -16.227  13.974  -4.290
  498    HA   GLU  23           HA       GLU  23 -18.319  16.016  -3.968
  499    HB2  GLU  23           HB2      GLU  23 -18.090  13.186  -2.937
  500    HB3  GLU  23           HB3      GLU  23 -19.393  14.282  -2.500
  501    HG2  GLU  23           HG2      GLU  23 -18.759  13.468  -5.322
  502    HG3  GLU  23           HG3      GLU  23 -19.949  12.661  -4.303
  503    H    GLY  24           H        GLY  24 -15.766  14.322  -2.217
  504    HA2  GLY  24           HA2      GLY  24 -16.357  15.942   0.163
  505    HA3  GLY  24           HA3      GLY  24 -15.336  14.512   0.119
  506    H    ASP  25           H        ASP  25 -13.489  15.274   0.923
  507    HA   ASP  25           HA       ASP  25 -12.330  17.728  -0.185
  508    HB2  ASP  25           HB2      ASP  25 -12.450  17.380   2.311
  509    HB3  ASP  25           HB3      ASP  25 -11.328  16.039   2.119
  510    H    LYS  26           H        LYS  26 -10.289  17.712  -1.160
  511    HA   LYS  26           HA       LYS  26  -9.761  15.475  -2.791
  512    HB2  LYS  26           HB2      LYS  26  -7.775  16.731  -3.508
  513    HB3  LYS  26           HB3      LYS  26  -9.219  17.737  -3.488
  514    HG2  LYS  26           HG2      LYS  26  -8.532  18.935  -1.642
  515    HG3  LYS  26           HG3      LYS  26  -7.430  17.667  -1.106
  516    HD2  LYS  26           HD2      LYS  26  -7.010  19.265  -3.618
  517    HD3  LYS  26           HD3      LYS  26  -6.347  19.731  -2.050
  518    HE2  LYS  26           HE2      LYS  26  -5.752  17.236  -3.636
  519    HE3  LYS  26           HE3      LYS  26  -4.647  18.547  -3.236
  520    HZ1  LYS  26           HZ1      LYS  26  -5.825  16.567  -1.369
  521    HZ2  LYS  26           HZ2      LYS  26  -4.969  17.933  -0.857
  522    HZ3  LYS  26           HZ3      LYS  26  -4.192  16.743  -1.785
  523    H    PHE  27           H        PHE  27  -8.820  16.103   0.422
  524    HA   PHE  27           HA       PHE  27  -6.660  14.127   0.244
  525    HB2  PHE  27           HB2      PHE  27  -6.555  16.557   1.332
  526    HB3  PHE  27           HB3      PHE  27  -7.229  15.696   2.711
  527    HD1  PHE  27           HD2      PHE  27  -5.985  13.707   3.598
  528    HD2  PHE  27           HD1      PHE  27  -4.331  16.456   0.827
  529    HE1  PHE  27           HE2      PHE  27  -3.709  12.980   4.247
  530    HE2  PHE  27           HE1      PHE  27  -2.050  15.741   1.452
  531    HZ   PHE  27           HZ       PHE  27  -1.740  14.001   3.170
  532    H    LYS  28           H        LYS  28  -9.892  14.266   0.817
  533    HA   LYS  28           HA       LYS  28  -9.757  12.094   2.800
  534    HB2  LYS  28           HB2      LYS  28 -11.892  14.233   2.766
  535    HB3  LYS  28           HB3      LYS  28 -11.719  12.935   3.932
  536    HG2  LYS  28           HG2      LYS  28  -9.831  15.246   3.568
  537    HG3  LYS  28           HG3      LYS  28 -11.007  15.050   4.867
  538    HD2  LYS  28           HD2      LYS  28  -9.836  12.930   5.487
  539    HD3  LYS  28           HD3      LYS  28  -8.593  13.349   4.303
  540    HE2  LYS  28           HE2      LYS  28  -7.869  14.046   6.497
  541    HE3  LYS  28           HE3      LYS  28  -8.217  15.474   5.523
  542    HZ1  LYS  28           HZ1      LYS  28  -9.130  15.748   7.715
  543    HZ2  LYS  28           HZ2      LYS  28  -9.971  14.281   7.604
  544    HZ3  LYS  28           HZ3      LYS  28 -10.411  15.587   6.614
  545    H    LEU  29           H        LEU  29 -10.504  10.333   1.871
  546    HA   LEU  29           HA       LEU  29 -12.726  10.601  -0.022
  547    HB2  LEU  29           HB2      LEU  29 -10.994   8.244   0.685
  548    HB3  LEU  29           HB3      LEU  29 -12.444   8.093  -0.289
  549    HG   LEU  29           HG       LEU  29 -11.257   9.967  -1.731
  550   HD11  LEU  29          HD11      LEU  29  -8.949   8.536  -0.429
  551   HD12  LEU  29          HD12      LEU  29  -8.839   9.630  -1.808
  552   HD13  LEU  29          HD13      LEU  29  -9.359  10.241  -0.238
  553   HD21  LEU  29          HD21      LEU  29 -11.947   7.776  -2.532
  554   HD22  LEU  29          HD22      LEU  29 -10.345   8.196  -3.142
  555   HD23  LEU  29          HD23      LEU  29 -10.509   7.049  -1.812
  556    H    ASN  30           H        ASN  30 -14.591  10.861   0.991
  557    HA   ASN  30           HA       ASN  30 -15.206   9.453   3.424
  558    HB2  ASN  30           HB2      ASN  30 -17.345  10.549   3.358
  559    HB3  ASN  30           HB3      ASN  30 -16.126  11.731   2.907
  560   HD21  ASN  30          HD21      ASN  30 -16.137  12.594   0.872
  561   HD22  ASN  30          HD22      ASN  30 -17.406  12.309  -0.272
  562    H    LYS  31           H        LYS  31 -17.732   8.568   3.168
  563    HA   LYS  31           HA       LYS  31 -17.482   5.987   2.277
  564    HB2  LYS  31           HB2      LYS  31 -20.034   7.603   2.365
  565    HB3  LYS  31           HB3      LYS  31 -19.922   5.850   2.385
  566    HG2  LYS  31           HG2      LYS  31 -18.871   5.882   4.542
  567    HG3  LYS  31           HG3      LYS  31 -18.769   7.644   4.508
  568    HD2  LYS  31           HD2      LYS  31 -21.234   7.754   4.438
  569    HD3  LYS  31           HD3      LYS  31 -21.295   5.996   4.558
  570    HE2  LYS  31           HE2      LYS  31 -20.273   6.055   6.731
  571    HE3  LYS  31           HE3      LYS  31 -19.992   7.790   6.598
  572    HZ1  LYS  31           HZ1      LYS  31 -22.670   6.505   6.648
  573    HZ2  LYS  31           HZ2      LYS  31 -22.353   8.172   6.626
  574    HZ3  LYS  31           HZ3      LYS  31 -21.923   7.244   7.981
  575    H    SER  32           H        SER  32 -18.837   8.737   0.492
  576    HA   SER  32           HA       SER  32 -19.704   7.179  -1.716
  577    HB2  SER  32           HB2      SER  32 -20.657   9.397  -1.040
  578    HB3  SER  32           HB3      SER  32 -19.184  10.158  -1.637
  579    HG   SER  32           HG       SER  32 -19.722   9.685  -3.677
  580    H    GLU  33           H        GLU  33 -16.732   8.956  -1.020
  581    HA   GLU  33           HA       GLU  33 -15.826   9.042  -3.729
  582    HB2  GLU  33           HB2      GLU  33 -14.103   9.266  -1.255
  583    HB3  GLU  33           HB3      GLU  33 -13.787   9.935  -2.854
  584    HG2  GLU  33           HG2      GLU  33 -15.922  10.822  -0.929
  585    HG3  GLU  33           HG3      GLU  33 -14.435  11.678  -1.321
  586    H    LEU  34           H        LEU  34 -15.028   7.102  -0.886
  587    HA   LEU  34           HA       LEU  34 -13.138   5.439  -2.147
  588    HB2  LEU  34           HB2      LEU  34 -14.785   5.259   0.335
  589    HB3  LEU  34           HB3      LEU  34 -13.942   3.832  -0.232
  590    HG   LEU  34           HG       LEU  34 -12.580   6.454   0.338
  591   HD11  LEU  34          HD11      LEU  34 -11.761   5.337   2.373
  592   HD12  LEU  34          HD12      LEU  34 -13.510   5.581   2.381
  593   HD13  LEU  34          HD13      LEU  34 -12.844   3.983   2.040
  594   HD21  LEU  34          HD21      LEU  34 -11.402   5.095  -1.253
  595   HD22  LEU  34          HD22      LEU  34 -10.561   5.023   0.298
  596   HD23  LEU  34          HD23      LEU  34 -11.573   3.673  -0.223
  597    H    LYS  35           H        LYS  35 -16.647   5.177  -1.752
  598    HA   LYS  35           HA       LYS  35 -16.888   2.561  -2.703
  599    HB2  LYS  35           HB2      LYS  35 -18.744   3.778  -1.616
  600    HB3  LYS  35           HB3      LYS  35 -18.890   4.800  -3.042
  601    HG2  LYS  35           HG2      LYS  35 -19.618   3.007  -4.383
  602    HG3  LYS  35           HG3      LYS  35 -19.140   1.811  -3.178
  603    HD2  LYS  35           HD2      LYS  35 -21.506   2.005  -3.077
  604    HD3  LYS  35           HD3      LYS  35 -20.860   2.817  -1.648
  605    HE2  LYS  35           HE2      LYS  35 -21.052   4.972  -2.866
  606    HE3  LYS  35           HE3      LYS  35 -21.818   4.094  -4.191
  607    HZ1  LYS  35           HZ1      LYS  35 -22.846   4.306  -1.409
  608    HZ2  LYS  35           HZ2      LYS  35 -23.574   3.414  -2.658
  609    HZ3  LYS  35           HZ3      LYS  35 -23.476   5.102  -2.772
  610    H    GLU  36           H        GLU  36 -17.085   5.644  -4.498
  611    HA   GLU  36           HA       GLU  36 -17.529   4.428  -6.997
  612    HB2  GLU  36           HB2      GLU  36 -17.711   6.930  -6.314
  613    HB3  GLU  36           HB3      GLU  36 -16.003   6.996  -6.735
  614    HG2  GLU  36           HG2      GLU  36 -16.556   6.126  -8.971
  615    HG3  GLU  36           HG3      GLU  36 -18.263   6.181  -8.540
  616    H    LEU  37           H        LEU  37 -14.590   5.328  -5.288
  617    HA   LEU  37           HA       LEU  37 -12.660   4.695  -7.185
  618    HB2  LEU  37           HB2      LEU  37 -12.355   5.749  -4.916
  619    HB3  LEU  37           HB3      LEU  37 -12.508   4.145  -4.226
  620    HG   LEU  37           HG       LEU  37 -10.440   4.363  -6.301
  621   HD11  LEU  37          HD11      LEU  37  -8.868   5.536  -4.846
  622   HD12  LEU  37          HD12      LEU  37 -10.231   6.569  -5.274
  623   HD13  LEU  37          HD13      LEU  37 -10.158   5.824  -3.678
  624   HD21  LEU  37          HD21      LEU  37 -10.479   3.327  -3.467
  625   HD22  LEU  37          HD22      LEU  37 -10.744   2.371  -4.925
  626   HD23  LEU  37          HD23      LEU  37  -9.169   3.106  -4.627
  627    H    LEU  38           H        LEU  38 -14.066   2.588  -4.692
  628    HA   LEU  38           HA       LEU  38 -12.707   0.270  -5.604
  629    HB2  LEU  38           HB2      LEU  38 -14.939   0.762  -3.673
  630    HB3  LEU  38           HB3      LEU  38 -14.510  -0.877  -4.124
  631    HG   LEU  38           HG       LEU  38 -12.113   0.494  -3.413
  632   HD11  LEU  38          HD11      LEU  38 -13.502   2.053  -2.170
  633   HD12  LEU  38          HD12      LEU  38 -14.302   0.709  -1.354
  634   HD13  LEU  38          HD13      LEU  38 -12.589   1.016  -1.073
  635   HD21  LEU  38          HD21      LEU  38 -13.679  -1.683  -2.034
  636   HD22  LEU  38          HD22      LEU  38 -12.459  -1.910  -3.286
  637   HD23  LEU  38          HD23      LEU  38 -11.995  -1.266  -1.712
  638    H    THR  39           H        THR  39 -15.852   1.640  -6.378
  639    HA   THR  39           HA       THR  39 -16.880  -0.699  -7.654
  640    HB   THR  39           HB       THR  39 -18.490   0.827  -8.782
  641    HG1  THR  39           HG1      THR  39 -16.647   2.685  -8.074
  642   HG21  THR  39          HG21      THR  39 -18.180   1.323  -5.826
  643   HG22  THR  39          HG22      THR  39 -18.997  -0.055  -6.562
  644   HG23  THR  39          HG23      THR  39 -19.650   1.570  -6.770
  645    H    ARG  40           H        ARG  40 -14.620   1.677  -8.499
  646    HA   ARG  40           HA       ARG  40 -14.994   1.382 -11.350
  647    HB2  ARG  40           HB2      ARG  40 -13.529   3.235  -9.557
  648    HB3  ARG  40           HB3      ARG  40 -12.902   3.019 -11.186
  649    HG2  ARG  40           HG2      ARG  40 -15.675   3.923 -10.435
  650    HG3  ARG  40           HG3      ARG  40 -14.387   4.913 -11.134
  651    HD2  ARG  40           HD2      ARG  40 -15.880   2.636 -12.397
  652    HD3  ARG  40           HD3      ARG  40 -15.809   4.320 -12.932
  653    HE   ARG  40           HE       ARG  40 -13.212   3.147 -12.864
  654   HH11  ARG  40          HH12      ARG  40 -16.122   3.353 -14.811
  655   HH12  ARG  40          HH11      ARG  40 -15.319   2.864 -16.274
  656   HH21  ARG  40          HH22      ARG  40 -12.166   2.526 -14.758
  657   HH22  ARG  40          HH21      ARG  40 -13.053   2.396 -16.251
  658    H    GLU  41           H        GLU  41 -12.078   1.339  -9.297
  659    HA   GLU  41           HA       GLU  41 -10.910  -0.434 -11.305
  660    HB2  GLU  41           HB2      GLU  41  -9.729   1.517  -9.374
  661    HB3  GLU  41           HB3      GLU  41  -8.739   0.223 -10.031
  662    HG2  GLU  41           HG2      GLU  41  -8.370   2.104 -11.385
  663    HG3  GLU  41           HG3      GLU  41  -9.389   1.014 -12.318
  664    H    LEU  42           H        LEU  42 -12.253  -0.673  -8.229
  665    HA   LEU  42           HA       LEU  42 -10.696  -3.136  -7.745
  666    HB2  LEU  42           HB2      LEU  42 -12.051  -1.446  -5.642
  667    HB3  LEU  42           HB3      LEU  42 -11.091  -2.882  -5.360
  668    HG   LEU  42           HG       LEU  42  -9.162  -1.526  -6.431
  669   HD11  LEU  42          HD11      LEU  42 -10.505   0.337  -7.246
  670   HD12  LEU  42          HD12      LEU  42 -11.032   0.708  -5.602
  671   HD13  LEU  42          HD13      LEU  42  -9.328   0.888  -6.051
  672   HD21  LEU  42          HD21      LEU  42 -10.258  -0.855  -3.703
  673   HD22  LEU  42          HD22      LEU  42  -9.257  -2.250  -4.105
  674   HD23  LEU  42          HD23      LEU  42  -8.594  -0.621  -4.236
  675    HA   PRO  43           HA       PRO  43 -15.482  -3.754  -7.892
  676    HB2  PRO  43           HB2      PRO  43 -15.161  -5.212 -10.414
  677    HB3  PRO  43           HB3      PRO  43 -16.264  -3.891 -10.021
  678    HG2  PRO  43           HG2      PRO  43 -14.174  -3.564 -11.689
  679    HG3  PRO  43           HG3      PRO  43 -14.748  -2.267 -10.622
  680    HD2  PRO  43           HD2      PRO  43 -12.404  -4.103 -10.281
  681    HD3  PRO  43           HD3      PRO  43 -12.525  -2.357  -9.967
  682    H    SER  44           H        SER  44 -12.801  -5.783  -8.844
  683    HA   SER  44           HA       SER  44 -13.969  -8.277  -8.212
  684    HB2  SER  44           HB2      SER  44 -11.440  -8.910  -8.028
  685    HB3  SER  44           HB3      SER  44 -12.084  -8.410  -9.592
  686    HG   SER  44           HG       SER  44 -10.265  -7.215  -9.313
  687    H    PHE  45           H        PHE  45 -12.331  -5.803  -6.386
  688    HA   PHE  45           HA       PHE  45 -12.110  -7.448  -4.009
  689    HB2  PHE  45           HB2      PHE  45 -11.492  -4.507  -4.369
  690    HB3  PHE  45           HB3      PHE  45 -11.024  -5.518  -3.006
  691    HD1  PHE  45           HD2      PHE  45  -9.417  -7.409  -3.396
  692    HD2  PHE  45           HD1      PHE  45 -10.164  -4.391  -6.301
  693    HE1  PHE  45           HE2      PHE  45  -7.329  -8.010  -4.553
  694    HE2  PHE  45           HE1      PHE  45  -8.078  -4.985  -7.462
  695    HZ   PHE  45           HZ       PHE  45  -6.658  -6.796  -6.589
  696    H    LEU  46           H        LEU  46 -14.667  -6.209  -5.401
  697    HA   LEU  46           HA       LEU  46 -15.868  -5.367  -2.865
  698    HB2  LEU  46           HB2      LEU  46 -16.839  -4.890  -5.677
  699    HB3  LEU  46           HB3      LEU  46 -17.753  -4.469  -4.218
  700    HG   LEU  46           HG       LEU  46 -15.076  -3.333  -5.059
  701   HD11  LEU  46          HD11      LEU  46 -17.825  -2.123  -4.834
  702   HD12  LEU  46          HD12      LEU  46 -16.344  -1.235  -5.196
  703   HD13  LEU  46          HD13      LEU  46 -16.943  -2.449  -6.327
  704   HD21  LEU  46          HD21      LEU  46 -15.042  -3.536  -2.693
  705   HD22  LEU  46          HD22      LEU  46 -15.462  -1.857  -3.045
  706   HD23  LEU  46          HD23      LEU  46 -16.718  -3.004  -2.553
  707    H    GLY  47           H        GLY  47 -16.144  -7.573  -5.548
  708    HA2  GLY  47           HA2      GLY  47 -16.609  -9.858  -5.140
  709    HA3  GLY  47           HA3      GLY  47 -17.549  -9.386  -3.735
  710    H    LYS  48           H        LYS  48 -19.073  -7.351  -5.172
  711    HA   LYS  48           HA       LYS  48 -20.502  -8.106  -7.347
  712    HB2  LYS  48           HB2      LYS  48 -20.903 -10.301  -6.286
  713    HB3  LYS  48           HB3      LYS  48 -21.665  -9.498  -4.923
  714    HG2  LYS  48           HG2      LYS  48 -23.337 -10.424  -6.401
  715    HG3  LYS  48           HG3      LYS  48 -23.429  -8.663  -6.407
  716    HD2  LYS  48           HD2      LYS  48 -23.661  -9.476  -8.667
  717    HD3  LYS  48           HD3      LYS  48 -22.114  -8.645  -8.508
  718    HE2  LYS  48           HE2      LYS  48 -21.844 -10.692  -9.786
  719    HE3  LYS  48           HE3      LYS  48 -20.987 -10.809  -8.251
  720    HZ1  LYS  48           HZ1      LYS  48 -22.768 -12.140  -7.362
  721    HZ2  LYS  48           HZ2      LYS  48 -22.222 -12.836  -8.805
  722    HZ3  LYS  48           HZ3      LYS  48 -23.677 -11.960  -8.783
  723    H    ARG  49           H        ARG  49 -21.832  -7.797  -4.085
  724    HA   ARG  49           HA       ARG  49 -23.232  -5.388  -4.999
  725    HB2  ARG  49           HB2      ARG  49 -24.865  -5.817  -3.231
  726    HB3  ARG  49           HB3      ARG  49 -24.699  -7.210  -4.287
  727    HG2  ARG  49           HG2      ARG  49 -23.308  -8.320  -2.617
  728    HG3  ARG  49           HG3      ARG  49 -23.447  -6.912  -1.562
  729    HD2  ARG  49           HD2      ARG  49 -25.025  -8.518  -0.799
  730    HD3  ARG  49           HD3      ARG  49 -25.932  -7.242  -1.609
  731    HE   ARG  49           HE       ARG  49 -25.229  -9.689  -3.074
  732   HH11  ARG  49          HH12      ARG  49 -27.652  -7.580  -1.689
  733   HH12  ARG  49          HH11      ARG  49 -28.984  -8.365  -2.478
  734   HH21  ARG  49          HH22      ARG  49 -26.958 -10.735  -4.124
  735   HH22  ARG  49          HH21      ARG  49 -28.586 -10.179  -3.862
  736    H    THR  50           H        THR  50 -21.943  -3.704  -4.565
  737    HA   THR  50           HA       THR  50 -21.170  -3.413  -1.753
  738    HB   THR  50           HB       THR  50 -19.637  -1.545  -2.895
  739    HG1  THR  50           HG1      THR  50 -19.969  -1.955  -5.016
  740   HG21  THR  50          HG21      THR  50 -18.981  -3.309  -1.334
  741   HG22  THR  50          HG22      THR  50 -17.845  -3.201  -2.679
  742   HG23  THR  50          HG23      THR  50 -19.042  -4.496  -2.637
  743    H    ASP  51           H        ASP  51 -22.798  -2.475  -0.915
  744    HA   ASP  51           HA       ASP  51 -23.530   0.199  -1.927
  745    HB2  ASP  51           HB2      ASP  51 -25.341  -1.660  -1.652
  746    HB3  ASP  51           HB3      ASP  51 -25.189  -1.325   0.070
  747    H    GLU  52           H        GLU  52 -24.629   1.230   0.411
  748    HA   GLU  52           HA       GLU  52 -22.331   2.016   1.871
  749    HB2  GLU  52           HB2      GLU  52 -25.246   2.266   2.644
  750    HB3  GLU  52           HB3      GLU  52 -23.912   3.172   3.342
  751    HG2  GLU  52           HG2      GLU  52 -24.814   3.325   0.474
  752    HG3  GLU  52           HG3      GLU  52 -25.202   4.491   1.738
  753    H    ALA  53           H        ALA  53 -24.387  -0.669   2.056
  754    HA   ALA  53           HA       ALA  53 -24.309  -1.321   4.776
  755    HB1  ALA  53           HB1      ALA  53 -24.919  -3.566   4.067
  756    HB2  ALA  53           HB2      ALA  53 -25.841  -2.354   3.176
  757    HB3  ALA  53           HB3      ALA  53 -24.482  -3.171   2.404
  758    H    ALA  54           H        ALA  54 -22.339  -2.730   2.129
  759    HA   ALA  54           HA       ALA  54 -20.598  -4.048   3.961
  760    HB1  ALA  54           HB1      ALA  54 -20.254  -3.504   1.015
  761    HB2  ALA  54           HB2      ALA  54 -19.219  -4.565   1.985
  762    HB3  ALA  54           HB3      ALA  54 -20.929  -4.961   1.745
  763    H    PHE  55           H        PHE  55 -20.573  -0.940   2.385
  764    HA   PHE  55           HA       PHE  55 -17.812  -0.418   2.838
  765    HB2  PHE  55           HB2      PHE  55 -20.138   1.191   1.915
  766    HB3  PHE  55           HB3      PHE  55 -18.715   2.048   2.502
  767    HD1  PHE  55           HD2      PHE  55 -19.923  -0.364  -0.016
  768    HD2  PHE  55           HD1      PHE  55 -16.727   2.140   1.251
  769    HE1  PHE  55           HE2      PHE  55 -18.787  -0.729  -2.167
  770    HE2  PHE  55           HE1      PHE  55 -15.588   1.777  -0.895
  771    HZ   PHE  55           HZ       PHE  55 -16.618   0.342  -2.607
  772    H    GLN  56           H        GLN  56 -20.575  -0.309   4.844
  773    HA   GLN  56           HA       GLN  56 -19.780   1.545   6.786
  774    HB2  GLN  56           HB2      GLN  56 -21.998   0.525   6.771
  775    HB3  GLN  56           HB3      GLN  56 -21.298  -1.054   7.094
  776    HG2  GLN  56           HG2      GLN  56 -20.484  -0.193   9.268
  777    HG3  GLN  56           HG3      GLN  56 -21.330   1.319   8.941
  778   HE21  GLN  56          HE21      GLN  56 -23.574   1.366   9.016
  779   HE22  GLN  56          HE22      GLN  56 -24.499   0.093   9.738
  780    H    LYS  57           H        LYS  57 -18.713  -1.699   6.102
  781    HA   LYS  57           HA       LYS  57 -17.218  -1.962   8.559
  782    HB2  LYS  57           HB2      LYS  57 -18.111  -3.994   7.705
  783    HB3  LYS  57           HB3      LYS  57 -17.511  -3.664   6.087
  784    HG2  LYS  57           HG2      LYS  57 -16.036  -5.260   6.785
  785    HG3  LYS  57           HG3      LYS  57 -15.171  -3.792   7.234
  786    HD2  LYS  57           HD2      LYS  57 -16.900  -5.387   9.122
  787    HD3  LYS  57           HD3      LYS  57 -15.157  -5.591   8.967
  788    HE2  LYS  57           HE2      LYS  57 -14.884  -3.191   9.586
  789    HE3  LYS  57           HE3      LYS  57 -16.623  -3.123   9.882
  790    HZ1  LYS  57           HZ1      LYS  57 -15.499  -3.513  11.944
  791    HZ2  LYS  57           HZ2      LYS  57 -14.659  -4.834  11.299
  792    HZ3  LYS  57           HZ3      LYS  57 -16.336  -4.924  11.519
  793    H    LEU  58           H        LEU  58 -16.481  -1.745   5.107
  794    HA   LEU  58           HA       LEU  58 -13.719  -1.741   5.209
  795    HB2  LEU  58           HB2      LEU  58 -14.915  -1.954   3.137
  796    HB3  LEU  58           HB3      LEU  58 -15.617  -0.359   3.317
  797    HG   LEU  58           HG       LEU  58 -13.481   0.691   2.939
  798   HD11  LEU  58          HD11      LEU  58 -11.994  -0.804   4.029
  799   HD12  LEU  58          HD12      LEU  58 -12.411  -2.123   2.937
  800   HD13  LEU  58          HD13      LEU  58 -11.516  -0.731   2.332
  801   HD21  LEU  58          HD21      LEU  58 -14.639   0.283   0.937
  802   HD22  LEU  58          HD22      LEU  58 -12.989  -0.254   0.632
  803   HD23  LEU  58          HD23      LEU  58 -14.257  -1.436   0.959
  804    H    MET  59           H        MET  59 -15.695   1.137   4.737
  805    HA   MET  59           HA       MET  59 -14.144   3.235   5.165
  806    HB2  MET  59           HB2      MET  59 -16.766   2.956   5.129
  807    HB3  MET  59           HB3      MET  59 -16.592   3.124   6.872
  808    HG2  MET  59           HG2      MET  59 -17.052   5.263   5.960
  809    HG3  MET  59           HG3      MET  59 -15.362   5.241   6.474
  810    HE1  MET  59           HE1      MET  59 -14.239   7.194   3.578
  811    HE2  MET  59           HE2      MET  59 -15.441   7.560   4.819
  812    HE3  MET  59           HE3      MET  59 -13.987   6.652   5.237
  813    H    SER  60           H        SER  60 -15.358   1.245   7.842
  814    HA   SER  60           HA       SER  60 -14.212   2.892   9.883
  815    HB2  SER  60           HB2      SER  60 -16.266   1.440  10.116
  816    HB3  SER  60           HB3      SER  60 -15.177   0.051  10.093
  817    HG   SER  60           HG       SER  60 -14.720   0.403  12.113
  818    H    ASN  61           H        ASN  61 -13.316  -0.107   8.270
  819    HA   ASN  61           HA       ASN  61 -11.140  -0.831   9.926
  820    HB2  ASN  61           HB2      ASN  61 -11.705  -1.365   7.002
  821    HB3  ASN  61           HB3      ASN  61 -10.355  -2.076   7.867
  822   HD21  ASN  61          HD21      ASN  61 -11.805  -2.563  10.321
  823   HD22  ASN  61          HD22      ASN  61 -12.877  -3.877   9.979
  824    H    LEU  62           H        LEU  62 -11.608   1.432   7.424
  825    HA   LEU  62           HA       LEU  62  -8.784   1.844   6.860
  826    HB2  LEU  62           HB2      LEU  62 -11.353   2.823   5.759
  827    HB3  LEU  62           HB3      LEU  62  -9.969   3.885   5.589
  828    HG   LEU  62           HG       LEU  62  -8.798   2.310   4.267
  829   HD11  LEU  62          HD11      LEU  62 -10.975   0.334   4.914
  830   HD12  LEU  62          HD12      LEU  62  -9.590   0.054   3.861
  831   HD13  LEU  62          HD13      LEU  62  -9.345   0.320   5.585
  832   HD21  LEU  62          HD21      LEU  62 -11.705   2.272   3.476
  833   HD22  LEU  62          HD22      LEU  62 -10.548   3.551   3.106
  834   HD23  LEU  62          HD23      LEU  62 -10.338   1.943   2.411
  835    H    ASP  63           H        ASP  63 -11.402   4.026   7.783
  836    HA   ASP  63           HA       ASP  63  -9.706   6.109   8.645
  837    HB2  ASP  63           HB2      ASP  63 -12.171   6.252   7.989
  838    HB3  ASP  63           HB3      ASP  63 -12.534   5.610   9.585
  839    H    SER  64           H        SER  64  -8.221   5.577  10.205
  840    HA   SER  64           HA       SER  64  -8.975   3.664  12.232
  841    HB2  SER  64           HB2      SER  64  -6.660   3.498  12.748
  842    HB3  SER  64           HB3      SER  64  -6.777   3.615  10.995
  843    HG   SER  64           HG       SER  64  -6.358   5.923  11.295
  844    H    ASN  65           H        ASN  65  -9.067   6.997  11.943
  845    HA   ASN  65           HA       ASN  65  -9.057   7.305  14.865
  846    HB2  ASN  65           HB2      ASN  65  -9.033   9.706  14.500
  847    HB3  ASN  65           HB3      ASN  65  -7.743   8.960  13.561
  848   HD21  ASN  65          HD21      ASN  65  -7.911   8.881  11.315
  849   HD22  ASN  65          HD22      ASN  65  -9.034   9.870  10.451
  850    H    ARG  66           H        ARG  66 -11.034   6.818  12.213
  851    HA   ARG  66           HA       ARG  66 -13.237   6.510  11.953
  852    HB2  ARG  66           HB2      ARG  66 -13.083   6.428  14.948
  853    HB3  ARG  66           HB3      ARG  66 -14.640   6.358  14.137
  854    HG2  ARG  66           HG2      ARG  66 -14.068   4.127  14.485
  855    HG3  ARG  66           HG3      ARG  66 -13.665   4.418  12.795
  856    HD2  ARG  66           HD2      ARG  66 -11.298   4.974  13.773
  857    HD3  ARG  66           HD3      ARG  66 -11.862   4.011  15.138
  858    HE   ARG  66           HE       ARG  66 -12.299   2.676  12.659
  859   HH11  ARG  66          HH12      ARG  66  -9.853   3.342  15.082
  860   HH12  ARG  66          HH11      ARG  66  -8.792   2.069  14.531
  861   HH21  ARG  66          HH22      ARG  66 -10.922   1.007  11.958
  862   HH22  ARG  66          HH21      ARG  66  -9.419   0.735  12.784
  863    H    ASP  67           H        ASP  67 -13.240   8.580  10.902
  864    HA   ASP  67           HA       ASP  67 -15.064  10.423  12.312
  865    HB2  ASP  67           HB2      ASP  67 -12.769  11.379  12.055
  866    HB3  ASP  67           HB3      ASP  67 -12.947  11.235  10.308
  867    H    ASN  68           H        ASN  68 -14.347   8.532   9.592
  868    HA   ASN  68           HA       ASN  68 -15.729   7.758   7.949
  869    HB2  ASN  68           HB2      ASN  68 -17.558   9.997   8.790
  870    HB3  ASN  68           HB3      ASN  68 -17.868   9.028   7.366
  871   HD21  ASN  68          HD21      ASN  68 -18.066   9.247  10.690
  872   HD22  ASN  68          HD22      ASN  68 -18.717   7.678  11.030
  873    H    GLU  69           H        GLU  69 -13.694  10.027   8.014
  874    HA   GLU  69           HA       GLU  69 -13.894  10.492   5.121
  875    HB2  GLU  69           HB2      GLU  69 -12.971  12.579   7.116
  876    HB3  GLU  69           HB3      GLU  69 -12.926  12.744   5.367
  877    HG2  GLU  69           HG2      GLU  69 -15.452  12.416   5.443
  878    HG3  GLU  69           HG3      GLU  69 -15.312  12.687   7.179
  879    H    VAL  70           H        VAL  70 -12.350   9.070   4.502
  880    HA   VAL  70           HA       VAL  70 -10.109   8.459   6.147
  881    HB   VAL  70           HB       VAL  70 -10.641   7.728   3.267
  882   HG11  VAL  70          HG11      VAL  70  -8.263   7.654   3.689
  883   HG12  VAL  70          HG12      VAL  70  -8.529   6.702   5.151
  884   HG13  VAL  70          HG13      VAL  70  -8.907   6.017   3.570
  885   HG21  VAL  70          HG21      VAL  70 -10.952   6.164   5.820
  886   HG22  VAL  70          HG22      VAL  70 -12.257   6.776   4.805
  887   HG23  VAL  70          HG23      VAL  70 -11.179   5.521   4.195
  888    H    ASP  71           H        ASP  71  -8.648   9.960   6.498
  889    HA   ASP  71           HA       ASP  71  -7.556  11.725   4.553
  890    HB2  ASP  71           HB2      ASP  71  -7.411  12.061   7.029
  891    HB3  ASP  71           HB3      ASP  71  -6.322  10.677   7.121
  892    H    PHE  72           H        PHE  72  -5.281  11.503   3.678
  893    HA   PHE  72           HA       PHE  72  -4.987   9.062   2.348
  894    HB2  PHE  72           HB2      PHE  72  -3.912  11.241   1.653
  895    HB3  PHE  72           HB3      PHE  72  -2.691  10.945   2.894
  896    HD1  PHE  72           HD2      PHE  72  -1.321   8.841   2.757
  897    HD2  PHE  72           HD1      PHE  72  -3.790  10.172  -0.432
  898    HE1  PHE  72           HE2      PHE  72  -0.138   7.346   1.220
  899    HE2  PHE  72           HE1      PHE  72  -2.610   8.676  -1.976
  900    HZ   PHE  72           HZ       PHE  72  -0.751   7.265  -1.130
  901    H    GLN  73           H        GLN  73  -3.659  10.172   5.389
  902    HA   GLN  73           HA       GLN  73  -1.763   8.187   5.844
  903    HB2  GLN  73           HB2      GLN  73  -3.552   9.516   7.887
  904    HB3  GLN  73           HB3      GLN  73  -2.069   8.643   8.237
  905    HG2  GLN  73           HG2      GLN  73  -2.338  11.223   6.716
  906    HG3  GLN  73           HG3      GLN  73  -1.650  11.001   8.322
  907   HE21  GLN  73          HE21      GLN  73  -1.138  10.730   4.927
  908   HE22  GLN  73          HE22      GLN  73   0.546  10.356   4.996
  909    H    GLU  74           H        GLU  74  -5.271   8.106   6.141
  910    HA   GLU  74           HA       GLU  74  -5.201   5.468   7.393
  911    HB2  GLU  74           HB2      GLU  74  -7.730   6.750   6.430
  912    HB3  GLU  74           HB3      GLU  74  -7.464   5.746   7.846
  913    HG2  GLU  74           HG2      GLU  74  -6.541   8.592   7.556
  914    HG3  GLU  74           HG3      GLU  74  -8.011   8.089   8.378
  915    H    TYR  75           H        TYR  75  -4.970   6.753   4.364
  916    HA   TYR  75           HA       TYR  75  -6.681   4.873   2.969
  917    HB2  TYR  75           HB2      TYR  75  -6.493   7.257   2.277
  918    HB3  TYR  75           HB3      TYR  75  -4.811   6.981   1.868
  919    HD1  TYR  75           HD1      TYR  75  -4.372   5.091   0.105
  920    HD2  TYR  75           HD2      TYR  75  -8.114   7.044   0.654
  921    HE1  TYR  75           HE1      TYR  75  -5.051   4.390  -2.159
  922    HE2  TYR  75           HE2      TYR  75  -8.804   6.342  -1.612
  923    HH   TYR  75           HH       TYR  75  -7.770   5.661  -3.725
  924    H    CYS  76           H        CYS  76  -3.242   5.407   3.535
  925    HA   CYS  76           HA       CYS  76  -2.173   3.704   1.589
  926    HB2  CYS  76           HB2      CYS  76  -0.197   3.554   3.032
  927    HB3  CYS  76           HB3      CYS  76  -0.789   5.196   2.975
  928    HG   CYS  76           HG       CYS  76   0.090   3.729   5.565
  929    H    VAL  77           H        VAL  77  -3.286   2.994   4.848
  930    HA   VAL  77           HA       VAL  77  -2.486   0.276   4.807
  931    HB   VAL  77           HB       VAL  77  -3.885   0.071   6.848
  932   HG11  VAL  77          HG11      VAL  77  -1.886   2.289   6.563
  933   HG12  VAL  77          HG12      VAL  77  -2.563   1.830   8.126
  934   HG13  VAL  77          HG13      VAL  77  -1.644   0.652   7.188
  935   HG21  VAL  77          HG21      VAL  77  -5.644   1.670   6.259
  936   HG22  VAL  77          HG22      VAL  77  -4.895   2.084   7.802
  937   HG23  VAL  77          HG23      VAL  77  -4.476   2.989   6.346
  938    H    PHE  78           H        PHE  78  -5.272   1.961   3.664
  939    HA   PHE  78           HA       PHE  78  -7.149  -0.063   3.498
  940    HB2  PHE  78           HB2      PHE  78  -7.758   2.163   2.885
  941    HB3  PHE  78           HB3      PHE  78  -6.482   2.258   1.684
  942    HD1  PHE  78           HD1      PHE  78  -9.228  -0.219   2.264
  943    HD2  PHE  78           HD2      PHE  78  -7.365   2.556  -0.360
  944    HE1  PHE  78           HE1      PHE  78 -10.844  -0.801   0.510
  945    HE2  PHE  78           HE2      PHE  78  -8.964   1.975  -2.123
  946    HZ   PHE  78           HZ       PHE  78 -10.716   0.296  -1.692
  947    H    LEU  79           H        LEU  79  -4.716   0.875   1.080
  948    HA   LEU  79           HA       LEU  79  -5.431  -1.321  -0.591
  949    HB2  LEU  79           HB2      LEU  79  -3.354   0.823  -0.761
  950    HB3  LEU  79           HB3      LEU  79  -3.455  -0.470  -1.951
  951    HG   LEU  79           HG       LEU  79  -5.600   1.536  -1.281
  952   HD11  LEU  79          HD11      LEU  79  -5.305   2.235  -3.598
  953   HD12  LEU  79          HD12      LEU  79  -3.810   2.410  -2.674
  954   HD13  LEU  79          HD13      LEU  79  -4.004   1.057  -3.790
  955   HD21  LEU  79          HD21      LEU  79  -5.737  -0.648  -3.341
  956   HD22  LEU  79          HD22      LEU  79  -6.350  -0.853  -1.696
  957   HD23  LEU  79          HD23      LEU  79  -7.036   0.386  -2.752
  958    H    SER  80           H        SER  80  -2.548  -0.604   1.368
  959    HA   SER  80           HA       SER  80  -1.091  -2.819   0.470
  960    HB2  SER  80           HB2      SER  80  -1.002  -1.385   3.120
  961    HB3  SER  80           HB3      SER  80   0.221  -2.521   2.541
  962    HG   SER  80           HG       SER  80   1.054  -0.924   1.501
  963    H    CYS  81           H        CYS  81  -3.641  -2.531   2.811
  964    HA   CYS  81           HA       CYS  81  -3.313  -5.218   3.767
  965    HB2  CYS  81           HB2      CYS  81  -5.423  -3.125   4.189
  966    HB3  CYS  81           HB3      CYS  81  -5.521  -4.741   4.899
  967    HG   CYS  81           HG       CYS  81  -3.490  -2.164   5.669
  968    H    ILE  82           H        ILE  82  -4.816  -3.755   1.045
  969    HA   ILE  82           HA       ILE  82  -6.592  -6.021   0.638
  970    HB   ILE  82           HB       ILE  82  -5.961  -3.926  -1.446
  971   HG12  ILE  82          HG12      ILE  82  -8.118  -3.882   0.673
  972   HG13  ILE  82          HG13      ILE  82  -6.745  -2.782   0.575
  973   HG21  ILE  82          HG21      ILE  82  -8.436  -5.589  -0.985
  974   HG22  ILE  82          HG22      ILE  82  -8.076  -4.572  -2.380
  975   HG23  ILE  82          HG23      ILE  82  -7.139  -6.041  -2.099
  976   HD11  ILE  82          HD11      ILE  82  -8.770  -1.743  -0.253
  977   HD12  ILE  82          HD12      ILE  82  -7.581  -1.924  -1.543
  978   HD13  ILE  82          HD13      ILE  82  -8.955  -3.027  -1.448
  979    H    ALA  83           H        ALA  83  -3.336  -5.006  -0.230
  980    HA   ALA  83           HA       ALA  83  -2.713  -7.086  -1.990
  981    HB1  ALA  83           HB1      ALA  83  -0.460  -7.003  -1.035
  982    HB2  ALA  83           HB2      ALA  83  -1.096  -5.386  -1.346
  983    HB3  ALA  83           HB3      ALA  83  -1.070  -6.021   0.298
  984    H    MET  84           H        MET  84  -2.691  -7.023   1.554
  985    HA   MET  84           HA       MET  84  -2.229  -9.754   1.947
  986    HB2  MET  84           HB2      MET  84  -3.469  -7.616   3.618
  987    HB3  MET  84           HB3      MET  84  -3.611  -9.291   4.139
  988    HG2  MET  84           HG2      MET  84  -1.218  -9.534   4.177
  989    HG3  MET  84           HG3      MET  84  -1.011  -7.914   3.515
  990    HE1  MET  84           HE1      MET  84  -1.380  -5.718   4.813
  991    HE2  MET  84           HE2      MET  84  -3.072  -6.191   4.965
  992    HE3  MET  84           HE3      MET  84  -2.183  -5.621   6.381
  993    H    MET  85           H        MET  85  -5.235  -7.982   1.427
  994    HA   MET  85           HA       MET  85  -7.048 -10.117   1.517
  995    HB2  MET  85           HB2      MET  85  -7.616  -7.655   1.108
  996    HB3  MET  85           HB3      MET  85  -7.065  -7.891  -0.530
  997    HG2  MET  85           HG2      MET  85  -8.758  -9.820  -0.629
  998    HG3  MET  85           HG3      MET  85  -9.461  -9.064   0.801
  999    HE1  MET  85           HE1      MET  85 -10.856  -5.762  -0.379
 1000    HE2  MET  85           HE2      MET  85 -11.003  -7.085   0.782
 1001    HE3  MET  85           HE3      MET  85  -9.481  -6.182   0.656
 1002    H    CYS  86           H        CYS  86  -5.027  -8.892  -1.107
 1003    HA   CYS  86           HA       CYS  86  -6.008 -10.608  -3.100
 1004    HB2  CYS  86           HB2      CYS  86  -4.716  -8.423  -3.366
 1005    HB3  CYS  86           HB3      CYS  86  -3.261  -9.376  -3.098
 1006    HG   CYS  86           HG       CYS  86  -2.965  -9.824  -5.598
 1007    H    ASN  87           H        ASN  87  -3.678 -11.191  -0.581
 1008    HA   ASN  87           HA       ASN  87  -2.373 -13.403  -1.796
 1009    HB2  ASN  87           HB2      ASN  87  -1.515 -12.317   0.249
 1010    HB3  ASN  87           HB3      ASN  87  -2.908 -12.908   1.146
 1011   HD21  ASN  87          HD21      ASN  87  -2.941 -15.009   1.845
 1012   HD22  ASN  87          HD22      ASN  87  -1.604 -16.093   1.680
 1013    H    GLU  88           H        GLU  88  -5.327 -13.030   0.025
 1014    HA   GLU  88           HA       GLU  88  -5.949 -15.859  -0.078
 1015    HB2  GLU  88           HB2      GLU  88  -7.321 -13.431   1.060
 1016    HB3  GLU  88           HB3      GLU  88  -8.124 -14.987   0.996
 1017    HG2  GLU  88           HG2      GLU  88  -6.403 -15.972   2.384
 1018    HG3  GLU  88           HG3      GLU  88  -5.506 -14.457   2.378
 1019    H    PHE  89           H        PHE  89  -6.794 -12.881  -1.684
 1020    HA   PHE  89           HA       PHE  89  -9.037 -14.060  -3.091
 1021    HB2  PHE  89           HB2      PHE  89  -9.053 -11.702  -2.211
 1022    HB3  PHE  89           HB3      PHE  89  -7.817 -11.309  -3.402
 1023    HD1  PHE  89           HD2      PHE  89 -11.199 -12.869  -3.253
 1024    HD2  PHE  89           HD1      PHE  89  -8.481 -10.387  -5.389
 1025    HE1  PHE  89           HE2      PHE  89 -12.940 -12.411  -4.929
 1026    HE2  PHE  89           HE1      PHE  89 -10.217  -9.926  -7.069
 1027    HZ   PHE  89           HZ       PHE  89 -12.448 -10.937  -6.840
 1028    H    PHE  90           H        PHE  90  -5.730 -14.066  -3.580
 1029    HA   PHE  90           HA       PHE  90  -5.535 -13.558  -6.358
 1030    HB2  PHE  90           HB2      PHE  90  -3.617 -13.679  -4.682
 1031    HB3  PHE  90           HB3      PHE  90  -3.741 -15.430  -4.808
 1032    HD1  PHE  90           HD1      PHE  90  -3.759 -12.611  -7.259
 1033    HD2  PHE  90           HD2      PHE  90  -2.051 -16.321  -6.066
 1034    HE1  PHE  90           HE1      PHE  90  -2.271 -12.552  -9.218
 1035    HE2  PHE  90           HE2      PHE  90  -0.559 -16.268  -8.024
 1036    HZ   PHE  90           HZ       PHE  90  -0.670 -14.382  -9.603
 1037    H    GLU  91           H        GLU  91  -5.574 -16.651  -4.593
 1038    HA   GLU  91           HA       GLU  91  -6.197 -18.119  -6.998
 1039    HB2  GLU  91           HB2      GLU  91  -6.163 -18.987  -4.096
 1040    HB3  GLU  91           HB3      GLU  91  -6.355 -20.067  -5.472
 1041    HG2  GLU  91           HG2      GLU  91  -3.943 -18.328  -5.008
 1042    HG3  GLU  91           HG3      GLU  91  -4.065 -20.015  -4.513
 1043    H    GLY  92           H        GLY  92  -7.881 -16.306  -4.739
 1044    HA2  GLY  92           HA2      GLY  92 -10.146 -15.695  -5.124
 1045    HA3  GLY  92           HA3      GLY  92 -10.426 -17.285  -5.819
 1046    H    PHE  93           H        PHE  93  -8.740 -18.184  -3.333
 1047    HA   PHE  93           HA       PHE  93 -10.762 -17.950  -1.284
 1048    HB2  PHE  93           HB2      PHE  93 -10.966 -20.394  -1.014
 1049    HB3  PHE  93           HB3      PHE  93 -11.543 -19.858  -2.589
 1050    HD1  PHE  93           HD2      PHE  93 -10.023 -20.158  -4.591
 1051    HD2  PHE  93           HD1      PHE  93  -9.285 -22.007  -0.830
 1052    HE1  PHE  93           HE2      PHE  93  -8.530 -21.777  -5.684
 1053    HE2  PHE  93           HE1      PHE  93  -7.790 -23.629  -1.919
 1054    HZ   PHE  93           HZ       PHE  93  -7.412 -23.515  -4.348
 1055    HA   PRO  94           HA       PRO  94  -7.104 -18.359   1.247
 1056    HB2  PRO  94           HB2      PRO  94  -8.327 -18.558   3.651
 1057    HB3  PRO  94           HB3      PRO  94  -8.184 -17.023   2.786
 1058    HG2  PRO  94           HG2      PRO  94 -10.527 -18.855   3.025
 1059    HG3  PRO  94           HG3      PRO  94 -10.482 -17.084   3.013
 1060    HD2  PRO  94           HD2      PRO  94 -11.155 -18.637   0.841
 1061    HD3  PRO  94           HD3      PRO  94 -10.524 -16.984   0.732
 1062    H    ASP  95           H        ASP  95  -6.619 -20.408   0.325
 1063    HA   ASP  95           HA       ASP  95  -7.893 -22.808   0.851
 1064    HB2  ASP  95           HB2      ASP  95  -5.877 -23.918   0.076
 1065    HB3  ASP  95           HB3      ASP  95  -6.193 -22.503  -0.918
 1066    H    LYS  96           H        LYS  96  -8.124 -24.000   2.581
 1067    HA   LYS  96           HA       LYS  96  -6.564 -23.489   4.957
 1068    HB2  LYS  96           HB2      LYS  96  -8.968 -24.037   5.112
 1069    HB3  LYS  96           HB3      LYS  96  -8.642 -25.623   4.424
 1070    HG2  LYS  96           HG2      LYS  96  -7.325 -26.236   6.343
 1071    HG3  LYS  96           HG3      LYS  96  -7.490 -24.613   7.016
 1072    HD2  LYS  96           HD2      LYS  96  -9.919 -24.941   7.172
 1073    HD3  LYS  96           HD3      LYS  96  -9.732 -26.574   6.527
 1074    HE2  LYS  96           HE2      LYS  96  -9.945 -26.534   8.988
 1075    HE3  LYS  96           HE3      LYS  96  -8.419 -27.226   8.442
 1076    HZ1  LYS  96           HZ1      LYS  96  -8.734 -24.403   9.321
 1077    HZ2  LYS  96           HZ2      LYS  96  -7.283 -25.223   8.989
 1078    HZ3  LYS  96           HZ3      LYS  96  -8.213 -25.661  10.336
 1079    H    GLN  97           H        GLN  97  -4.490 -24.042   4.475
 1080    HA   GLN  97           HA       GLN  97  -3.798 -26.498   3.193
 1081    HB2  GLN  97           HB2      GLN  97  -2.449 -24.417   3.031
 1082    HB3  GLN  97           HB3      GLN  97  -2.037 -24.584   4.732
 1083    HG2  GLN  97           HG2      GLN  97  -0.927 -26.703   4.258
 1084    HG3  GLN  97           HG3      GLN  97  -1.341 -26.537   2.553
 1085   HE21  GLN  97          HE21      GLN  97  -0.890 -23.637   2.598
 1086   HE22  GLN  97          HE22      GLN  97   0.828 -23.432   2.625
 1087    HA   PRO  98           HA       PRO  98  -4.050 -28.821   6.997
 1088    HB2  PRO  98           HB2      PRO  98  -3.717 -31.263   5.902
 1089    HB3  PRO  98           HB3      PRO  98  -5.233 -30.364   5.771
 1090    HG2  PRO  98           HG2      PRO  98  -3.067 -30.736   3.758
 1091    HG3  PRO  98           HG3      PRO  98  -4.820 -30.671   3.522
 1092    HD2  PRO  98           HD2      PRO  98  -3.081 -28.577   3.047
 1093    HD3  PRO  98           HD3      PRO  98  -4.821 -28.401   3.346
 1094    H    ARG  99           H        ARG  99  -2.207 -28.223   8.075
 1095    HA   ARG  99           HA       ARG  99   0.222 -29.752   7.431
 1096    HB2  ARG  99           HB2      ARG  99  -0.125 -27.075   8.772
 1097    HB3  ARG  99           HB3      ARG  99   1.373 -27.991   8.880
 1098    HG2  ARG  99           HG2      ARG  99   0.082 -27.048   6.327
 1099    HG3  ARG  99           HG3      ARG  99   1.465 -26.294   7.125
 1100    HD2  ARG  99           HD2      ARG  99   2.771 -28.317   6.827
 1101    HD3  ARG  99           HD3      ARG  99   1.383 -29.132   6.108
 1102    HE   ARG  99           HE       ARG  99   1.876 -26.836   4.608
 1103   HH11  ARG  99          HH12      ARG  99   3.494 -29.840   5.384
 1104   HH12  ARG  99          HH11      ARG  99   4.337 -29.926   3.868
 1105   HH21  ARG  99          HH22      ARG  99   2.978 -26.940   2.618
 1106   HH22  ARG  99          HH21      ARG  99   4.046 -28.270   2.293
 1107    H    LYS 100           H        LYS 100   0.506 -31.428   8.691
 1108    HA   LYS 100           HA       LYS 100  -0.734 -31.406  11.348
 1109    HB2  LYS 100           HB2      LYS 100  -1.481 -33.092   9.605
 1110    HB3  LYS 100           HB3      LYS 100   0.117 -33.811   9.733
 1111    HG2  LYS 100           HG2      LYS 100  -0.269 -34.388  12.030
 1112    HG3  LYS 100           HG3      LYS 100  -1.814 -33.532  12.023
 1113    HD2  LYS 100           HD2      LYS 100  -2.701 -35.084  10.388
 1114    HD3  LYS 100           HD3      LYS 100  -1.142 -35.902  10.280
 1115    HE2  LYS 100           HE2      LYS 100  -2.844 -35.716  12.760
 1116    HE3  LYS 100           HE3      LYS 100  -2.759 -37.114  11.689
 1117    HZ1  LYS 100           HZ1      LYS 100  -1.327 -37.405  13.598
 1118    HZ2  LYS 100           HZ2      LYS 100  -0.499 -35.968  13.246
 1119    HZ3  LYS 100           HZ3      LYS 100  -0.393 -37.289  12.188
 1120    H    LYS 101           H        LYS 101   1.714 -30.179  10.840
 1121    HA   LYS 101           HA       LYS 101   3.304 -31.180  12.920
 1122    HB2  LYS 101           HB2      LYS 101   3.830 -32.907  11.162
 1123    HB3  LYS 101           HB3      LYS 101   4.518 -31.618  10.183
 1124    HG2  LYS 101           HG2      LYS 101   6.253 -32.838  11.360
 1125    HG3  LYS 101           HG3      LYS 101   6.169 -31.168  11.922
 1126    HD2  LYS 101           HD2      LYS 101   4.899 -31.875  13.877
 1127    HD3  LYS 101           HD3      LYS 101   4.930 -33.544  13.308
 1128    HE2  LYS 101           HE2      LYS 101   7.374 -33.549  13.471
 1129    HE3  LYS 101           HE3      LYS 101   7.334 -31.883  14.049
 1130    HZ1  LYS 101           HZ1      LYS 101   6.022 -34.167  15.425
 1131    HZ2  LYS 101           HZ2      LYS 101   6.159 -32.574  16.004
 1132    HZ3  LYS 101           HZ3      LYS 101   7.545 -33.543  15.839
 1133    H    MET   1           H1       MET   1  -3.819  -0.287 -21.541
 1134    HA   MET   1           HA       MET   1  -2.330   0.661 -19.171
 1135    HB2  MET   1           HB2      MET   1  -3.594   2.495 -20.185
 1136    HB3  MET   1           HB3      MET   1  -5.034   1.488 -20.258
 1137    HG2  MET   1           HG2      MET   1  -5.004   1.363 -17.779
 1138    HG3  MET   1           HG3      MET   1  -3.659   2.503 -17.782
 1139    HE1  MET   1           HE1      MET   1  -4.476   4.435 -20.200
 1140    HE2  MET   1           HE2      MET   1  -5.321   5.706 -19.318
 1141    HE3  MET   1           HE3      MET   1  -3.843   5.005 -18.655
 1142    H    ALA   2           H        ALA   2  -2.792  -0.428 -17.331
 1143    HA   ALA   2           HA       ALA   2  -4.862  -2.510 -17.481
 1144    HB1  ALA   2           HB1      ALA   2  -2.679  -2.105 -15.431
 1145    HB2  ALA   2           HB2      ALA   2  -3.772  -3.486 -15.542
 1146    HB3  ALA   2           HB3      ALA   2  -2.575  -3.202 -16.808
 1147    H    CYS   3           H        CYS   3  -6.057  -2.764 -15.275
 1148    HA   CYS   3           HA       CYS   3  -7.291  -0.302 -14.591
 1149    HB2  CYS   3           HB2      CYS   3  -7.358  -2.961 -13.144
 1150    HB3  CYS   3           HB3      CYS   3  -8.443  -1.608 -12.848
 1151    HG   CYS   3           HG       CYS   3  -9.860  -3.548 -14.240
 1152    HA   PRO   4           HA       PRO   4  -3.659   1.113 -12.514
 1153    HB2  PRO   4           HB2      PRO   4  -5.732   2.965 -11.423
 1154    HB3  PRO   4           HB3      PRO   4  -4.124   3.344 -12.057
 1155    HG2  PRO   4           HG2      PRO   4  -6.204   3.784 -13.588
 1156    HG3  PRO   4           HG3      PRO   4  -4.800   2.935 -14.285
 1157    HD2  PRO   4           HD2      PRO   4  -7.410   1.809 -13.333
 1158    HD3  PRO   4           HD3      PRO   4  -6.467   1.402 -14.784
 1159    H    LEU   5           H        LEU   5  -6.571   1.405 -10.466
 1160    HA   LEU   5           HA       LEU   5  -5.053   1.023  -8.096
 1161    HB2  LEU   5           HB2      LEU   5  -7.466   2.125  -8.641
 1162    HB3  LEU   5           HB3      LEU   5  -7.968   0.580  -7.984
 1163    HG   LEU   5           HG       LEU   5  -7.916   2.383  -6.293
 1164   HD11  LEU   5          HD11      LEU   5  -5.903   0.198  -5.838
 1165   HD12  LEU   5          HD12      LEU   5  -6.666   1.181  -4.584
 1166   HD13  LEU   5          HD13      LEU   5  -7.644   0.092  -5.572
 1167   HD21  LEU   5          HD21      LEU   5  -4.948   2.364  -6.796
 1168   HD22  LEU   5          HD22      LEU   5  -6.062   3.684  -7.154
 1169   HD23  LEU   5          HD23      LEU   5  -5.766   3.209  -5.482
 1170    H    GLU   6           H        GLU   6  -6.907  -1.102 -10.190
 1171    HA   GLU   6           HA       GLU   6  -7.117  -3.319  -8.485
 1172    HB2  GLU   6           HB2      GLU   6  -8.313  -3.240 -10.617
 1173    HB3  GLU   6           HB3      GLU   6  -6.786  -3.276 -11.493
 1174    HG2  GLU   6           HG2      GLU   6  -6.330  -5.500 -10.465
 1175    HG3  GLU   6           HG3      GLU   6  -7.956  -5.462  -9.787
 1176    H    LYS   7           H        LYS   7  -4.614  -2.412 -10.822
 1177    HA   LYS   7           HA       LYS   7  -2.956  -4.616 -10.474
 1178    HB2  LYS   7           HB2      LYS   7  -2.346  -1.776 -11.293
 1179    HB3  LYS   7           HB3      LYS   7  -1.105  -3.020 -11.221
 1180    HG2  LYS   7           HG2      LYS   7  -3.592  -3.136 -12.914
 1181    HG3  LYS   7           HG3      LYS   7  -1.992  -2.667 -13.482
 1182    HD2  LYS   7           HD2      LYS   7  -2.084  -4.892 -14.098
 1183    HD3  LYS   7           HD3      LYS   7  -1.270  -4.985 -12.536
 1184    HE2  LYS   7           HE2      LYS   7  -3.404  -5.526 -11.464
 1185    HE3  LYS   7           HE3      LYS   7  -4.215  -5.433 -13.027
 1186    HZ1  LYS   7           HZ1      LYS   7  -2.222  -7.428 -12.118
 1187    HZ2  LYS   7           HZ2      LYS   7  -2.630  -7.236 -13.754
 1188    HZ3  LYS   7           HZ3      LYS   7  -3.817  -7.696 -12.632
 1189    H    ALA   8           H        ALA   8  -3.168  -1.620  -8.629
 1190    HA   ALA   8           HA       ALA   8  -0.859  -1.685  -7.168
 1191    HB1  ALA   8           HB1      ALA   8  -2.510   0.106  -7.009
 1192    HB2  ALA   8           HB2      ALA   8  -3.583  -0.962  -6.104
 1193    HB3  ALA   8           HB3      ALA   8  -2.033  -0.481  -5.415
 1194    H    LEU   9           H        LEU   9  -3.863  -3.439  -6.353
 1195    HA   LEU   9           HA       LEU   9  -2.620  -4.643  -4.042
 1196    HB2  LEU   9           HB2      LEU   9  -5.247  -5.382  -5.337
 1197    HB3  LEU   9           HB3      LEU   9  -4.697  -5.866  -3.752
 1198    HG   LEU   9           HG       LEU   9  -6.179  -4.187  -3.238
 1199   HD11  LEU   9          HD11      LEU   9  -4.063  -3.727  -2.178
 1200   HD12  LEU   9          HD12      LEU   9  -3.553  -2.765  -3.564
 1201   HD13  LEU   9          HD13      LEU   9  -4.900  -2.225  -2.565
 1202   HD21  LEU   9          HD21      LEU   9  -6.425  -2.091  -4.449
 1203   HD22  LEU   9          HD22      LEU   9  -5.145  -2.577  -5.561
 1204   HD23  LEU   9          HD23      LEU   9  -6.660  -3.476  -5.518
 1205    H    ASP  10           H        ASP  10  -3.600  -5.665  -7.261
 1206    HA   ASP  10           HA       ASP  10  -3.069  -8.397  -7.068
 1207    HB2  ASP  10           HB2      ASP  10  -4.267  -7.608  -8.961
 1208    HB3  ASP  10           HB3      ASP  10  -3.000  -6.464  -9.383
 1209    H    VAL  11           H        VAL  11  -0.935  -5.744  -8.057
 1210    HA   VAL  11           HA       VAL  11   1.195  -7.501  -8.755
 1211    HB   VAL  11           HB       VAL  11   2.523  -5.564  -9.164
 1212   HG11  VAL  11          HG11      VAL  11  -0.335  -4.991  -9.932
 1213   HG12  VAL  11          HG12      VAL  11   1.106  -4.351 -10.722
 1214   HG13  VAL  11          HG13      VAL  11   0.763  -6.080 -10.784
 1215   HG21  VAL  11          HG21      VAL  11   2.057  -4.304  -7.139
 1216   HG22  VAL  11          HG22      VAL  11   1.785  -3.299  -8.564
 1217   HG23  VAL  11          HG23      VAL  11   0.413  -3.985  -7.694
 1218    H    MET  12           H        MET  12   0.213  -6.036  -5.754
 1219    HA   MET  12           HA       MET  12   2.704  -6.023  -4.458
 1220    HB2  MET  12           HB2      MET  12  -0.045  -6.520  -3.323
 1221    HB3  MET  12           HB3      MET  12   1.401  -6.378  -2.337
 1222    HG2  MET  12           HG2      MET  12   1.631  -4.093  -3.660
 1223    HG3  MET  12           HG3      MET  12  -0.112  -4.301  -3.808
 1224    HE1  MET  12           HE1      MET  12   0.671  -1.862  -2.680
 1225    HE2  MET  12           HE2      MET  12  -0.985  -2.235  -2.144
 1226    HE3  MET  12           HE3      MET  12   0.225  -1.674  -0.978
 1227    H    VAL  13           H        VAL  13   0.209  -8.580  -4.469
 1228    HA   VAL  13           HA       VAL  13   1.973 -10.450  -3.207
 1229    HB   VAL  13           HB       VAL  13   0.222 -12.131  -3.626
 1230   HG11  VAL  13          HG11      VAL  13  -0.785  -9.516  -2.524
 1231   HG12  VAL  13          HG12      VAL  13  -1.521 -11.095  -2.247
 1232   HG13  VAL  13          HG13      VAL  13   0.099 -10.757  -1.637
 1233   HG21  VAL  13          HG21      VAL  13  -0.593 -11.368  -5.781
 1234   HG22  VAL  13          HG22      VAL  13  -1.916 -11.454  -4.619
 1235   HG23  VAL  13          HG23      VAL  13  -1.216  -9.891  -5.041
 1236    H    SER  14           H        SER  14   1.140  -9.660  -6.497
 1237    HA   SER  14           HA       SER  14   2.162 -11.994  -7.726
 1238    HB2  SER  14           HB2      SER  14   0.629 -10.399  -8.844
 1239    HB3  SER  14           HB3      SER  14   1.914  -9.195  -8.860
 1240    HG   SER  14           HG       SER  14   1.660 -10.415 -10.841
 1241    H    THR  15           H        THR  15   3.581  -8.736  -7.370
 1242    HA   THR  15           HA       THR  15   6.138  -9.487  -8.345
 1243    HB   THR  15           HB       THR  15   5.562  -7.134  -6.538
 1244    HG1  THR  15           HG1      THR  15   4.097  -6.785  -8.088
 1245   HG21  THR  15          HG21      THR  15   7.333  -6.048  -7.822
 1246   HG22  THR  15          HG22      THR  15   7.511  -7.492  -8.818
 1247   HG23  THR  15          HG23      THR  15   7.930  -7.548  -7.106
 1248    H    PHE  16           H        PHE  16   4.609  -9.501  -5.218
 1249    HA   PHE  16           HA       PHE  16   6.708  -9.915  -3.475
 1250    HB2  PHE  16           HB2      PHE  16   4.301  -9.747  -2.861
 1251    HB3  PHE  16           HB3      PHE  16   4.042 -11.356  -3.514
 1252    HD1  PHE  16           HD2      PHE  16   5.763  -9.461  -0.859
 1253    HD2  PHE  16           HD1      PHE  16   4.438 -13.268  -2.209
 1254    HE1  PHE  16           HE2      PHE  16   6.238 -10.407   1.360
 1255    HE2  PHE  16           HE1      PHE  16   4.906 -14.220   0.010
 1256    HZ   PHE  16           HZ       PHE  16   5.810 -12.789   1.797
 1257    H    HIS  17           H        HIS  17   4.810 -12.505  -5.042
 1258    HA   HIS  17           HA       HIS  17   6.592 -14.600  -4.416
 1259    HB2  HIS  17           HB2      HIS  17   4.448 -14.295  -6.514
 1260    HB3  HIS  17           HB3      HIS  17   5.429 -15.752  -6.414
 1261    HD1  HIS  17           HD1      HIS  17   4.459 -17.540  -5.030
 1262    HD2  HIS  17           HD2      HIS  17   3.085 -13.784  -3.888
 1263    HE1  HIS  17           HE1      HIS  17   2.740 -17.960  -3.252
 1264    HE2  HIS  17           HE2      HIS  17   2.140 -15.673  -2.390
 1265    H    LYS  18           H        LYS  18   6.507 -12.297  -6.991
 1266    HA   LYS  18           HA       LYS  18   7.960 -13.606  -8.964
 1267    HB2  LYS  18           HB2      LYS  18   6.667 -11.524  -9.268
 1268    HB3  LYS  18           HB3      LYS  18   7.882 -10.648  -8.355
 1269    HG2  LYS  18           HG2      LYS  18   9.544 -11.171 -10.077
 1270    HG3  LYS  18           HG3      LYS  18   8.302 -12.026 -10.998
 1271    HD2  LYS  18           HD2      LYS  18   7.007  -9.967 -11.186
 1272    HD3  LYS  18           HD3      LYS  18   8.214  -9.107 -10.229
 1273    HE2  LYS  18           HE2      LYS  18   9.894  -9.626 -11.976
 1274    HE3  LYS  18           HE3      LYS  18   8.615 -10.360 -12.944
 1275    HZ1  LYS  18           HZ1      LYS  18   8.788  -7.511 -12.103
 1276    HZ2  LYS  18           HZ2      LYS  18   7.473  -8.195 -12.925
 1277    HZ3  LYS  18           HZ3      LYS  18   8.988  -8.118 -13.674
 1278    H    TYR  19           H        TYR  19   9.132 -11.849  -6.117
 1279    HA   TYR  19           HA       TYR  19  11.871 -12.373  -7.077
 1280    HB2  TYR  19           HB2      TYR  19  10.897 -10.056  -5.404
 1281    HB3  TYR  19           HB3      TYR  19  12.588 -10.381  -5.778
 1282    HD1  TYR  19           HD1      TYR  19  13.272 -10.416  -8.242
 1283    HD2  TYR  19           HD2      TYR  19   9.567  -8.836  -6.889
 1284    HE1  TYR  19           HE1      TYR  19  13.029  -9.185 -10.359
 1285    HE2  TYR  19           HE2      TYR  19   9.322  -7.601  -8.995
 1286    HH   TYR  19           HH       TYR  19  10.542  -6.806 -10.832
 1287    H    SER  20           H        SER  20   9.735 -12.566  -4.289
 1288    HA   SER  20           HA       SER  20  11.724 -12.947  -2.334
 1289    HB2  SER  20           HB2      SER  20   9.872 -13.980  -0.992
 1290    HB3  SER  20           HB3      SER  20   9.484 -12.393  -1.661
 1291    HG   SER  20           HG       SER  20   8.090 -13.274  -3.019
 1292    H    GLY  21           H        GLY  21   9.937 -15.286  -4.318
 1293    HA2  GLY  21           HA2      GLY  21  11.226 -17.538  -3.095
 1294    HA3  GLY  21           HA3      GLY  21  10.156 -17.573  -4.486
 1295    H    LYS  22           H        LYS  22  13.023 -15.543  -4.403
 1296    HA   LYS  22           HA       LYS  22  14.174 -17.261  -6.488
 1297    HB2  LYS  22           HB2      LYS  22  14.648 -14.360  -5.808
 1298    HB3  LYS  22           HB3      LYS  22  15.686 -15.257  -6.909
 1299    HG2  LYS  22           HG2      LYS  22  13.626 -15.750  -8.267
 1300    HG3  LYS  22           HG3      LYS  22  12.775 -14.592  -7.243
 1301    HD2  LYS  22           HD2      LYS  22  14.375 -12.851  -7.892
 1302    HD3  LYS  22           HD3      LYS  22  15.214 -14.011  -8.924
 1303    HE2  LYS  22           HE2      LYS  22  13.102 -14.317 -10.194
 1304    HE3  LYS  22           HE3      LYS  22  12.380 -13.036  -9.224
 1305    HZ1  LYS  22           HZ1      LYS  22  14.638 -12.804 -11.130
 1306    HZ2  LYS  22           HZ2      LYS  22  14.218 -11.569 -10.047
 1307    HZ3  LYS  22           HZ3      LYS  22  13.114 -12.070 -11.239
 1308    H    GLU  23           H        GLU  23  15.576 -15.087  -4.035
 1309    HA   GLU  23           HA       GLU  23  17.717 -17.064  -3.657
 1310    HB2  GLU  23           HB2      GLU  23  17.525 -14.135  -2.944
 1311    HB3  GLU  23           HB3      GLU  23  18.878 -15.162  -2.492
 1312    HG2  GLU  23           HG2      GLU  23  18.000 -14.681  -5.326
 1313    HG3  GLU  23           HG3      GLU  23  19.267 -13.765  -4.508
 1314    H    GLY  24           H        GLY  24  15.289 -15.200  -1.905
 1315    HA2  GLY  24           HA2      GLY  24  16.100 -16.525   0.590
 1316    HA3  GLY  24           HA3      GLY  24  15.057 -15.116   0.465
 1317    H    ASP  25           H        ASP  25  13.297 -15.802   1.515
 1318    HA   ASP  25           HA       ASP  25  12.090 -18.369   0.787
 1319    HB2  ASP  25           HB2      ASP  25  12.408 -17.737   3.212
 1320    HB3  ASP  25           HB3      ASP  25  11.251 -16.437   2.961
 1321    H    LYS  26           H        LYS  26   9.977 -18.482  -0.017
 1322    HA   LYS  26           HA       LYS  26   9.279 -16.441  -1.838
 1323    HB2  LYS  26           HB2      LYS  26   7.266 -17.786  -2.238
 1324    HB3  LYS  26           HB3      LYS  26   8.720 -18.775  -2.217
 1325    HG2  LYS  26           HG2      LYS  26   8.207 -19.734  -0.185
 1326    HG3  LYS  26           HG3      LYS  26   7.127 -18.420   0.277
 1327    HD2  LYS  26           HD2      LYS  26   6.564 -20.288  -1.986
 1328    HD3  LYS  26           HD3      LYS  26   6.040 -20.593  -0.330
 1329    HE2  LYS  26           HE2      LYS  26   5.234 -18.321  -2.136
 1330    HE3  LYS  26           HE3      LYS  26   4.208 -19.599  -1.495
 1331    HZ1  LYS  26           HZ1      LYS  26   5.462 -17.381   0.025
 1332    HZ2  LYS  26           HZ2      LYS  26   4.693 -18.698   0.759
 1333    HZ3  LYS  26           HZ3      LYS  26   3.809 -17.648  -0.229
 1334    H    PHE  27           H        PHE  27   8.635 -16.689   1.487
 1335    HA   PHE  27           HA       PHE  27   6.410 -14.765   1.270
 1336    HB2  PHE  27           HB2      PHE  27   6.429 -17.073   2.631
 1337    HB3  PHE  27           HB3      PHE  27   7.197 -16.059   3.845
 1338    HD1  PHE  27           HD2      PHE  27   5.979 -14.011   4.637
 1339    HD2  PHE  27           HD1      PHE  27   4.159 -17.042   2.297
 1340    HE1  PHE  27           HE2      PHE  27   3.762 -13.226   5.369
 1341    HE2  PHE  27           HE1      PHE  27   1.928 -16.276   3.015
 1342    HZ   PHE  27           HZ       PHE  27   1.730 -14.361   4.557
 1343    H    LYS  28           H        LYS  28   9.657 -14.871   1.590
 1344    HA   LYS  28           HA       LYS  28   9.663 -12.457   3.303
 1345    HB2  LYS  28           HB2      LYS  28  11.820 -14.566   3.339
 1346    HB3  LYS  28           HB3      LYS  28  11.723 -13.137   4.350
 1347    HG2  LYS  28           HG2      LYS  28   9.840 -15.479   4.426
 1348    HG3  LYS  28           HG3      LYS  28  11.123 -15.133   5.584
 1349    HD2  LYS  28           HD2      LYS  28   9.984 -12.955   6.062
 1350    HD3  LYS  28           HD3      LYS  28   8.640 -13.513   5.061
 1351    HE2  LYS  28           HE2      LYS  28   8.134 -13.959   7.368
 1352    HE3  LYS  28           HE3      LYS  28   8.421 -15.488   6.537
 1353    HZ1  LYS  28           HZ1      LYS  28   9.532 -15.481   8.658
 1354    HZ2  LYS  28           HZ2      LYS  28  10.347 -14.045   8.278
 1355    HZ3  LYS  28           HZ3      LYS  28  10.698 -15.466   7.425
 1356    H    LEU  29           H        LEU  29  10.336 -10.783   2.124
 1357    HA   LEU  29           HA       LEU  29  12.379 -11.273   0.088
 1358    HB2  LEU  29           HB2      LEU  29  10.666  -8.866   0.658
 1359    HB3  LEU  29           HB3      LEU  29  12.032  -8.811  -0.440
 1360    HG   LEU  29           HG       LEU  29  10.784 -10.853  -1.562
 1361   HD11  LEU  29          HD11      LEU  29   8.560  -9.330  -0.235
 1362   HD12  LEU  29          HD12      LEU  29   8.365 -10.570  -1.472
 1363   HD13  LEU  29          HD13      LEU  29   9.028 -10.993   0.107
 1364   HD21  LEU  29          HD21      LEU  29  11.341  -8.759  -2.661
 1365   HD22  LEU  29          HD22      LEU  29   9.704  -9.270  -3.076
 1366   HD23  LEU  29          HD23      LEU  29   9.954  -7.978  -1.903
 1367    H    ASN  30           H        ASN  30  14.323 -11.407   0.983
 1368    HA   ASN  30           HA       ASN  30  15.108  -9.710   3.167
 1369    HB2  ASN  30           HB2      ASN  30  17.250 -10.788   3.056
 1370    HB3  ASN  30           HB3      ASN  30  16.022 -12.028   2.833
 1371   HD21  ASN  30          HD21      ASN  30  15.877 -13.088   0.913
 1372   HD22  ASN  30          HD22      ASN  30  17.045 -12.909  -0.348
 1373    H    LYS  31           H        LYS  31  17.619  -8.882   2.572
 1374    HA   LYS  31           HA       LYS  31  17.202  -6.406   1.458
 1375    HB2  LYS  31           HB2      LYS  31  19.804  -7.951   1.498
 1376    HB3  LYS  31           HB3      LYS  31  19.648  -6.209   1.323
 1377    HG2  LYS  31           HG2      LYS  31  18.795  -5.998   3.549
 1378    HG3  LYS  31           HG3      LYS  31  18.718  -7.753   3.730
 1379    HD2  LYS  31           HD2      LYS  31  21.171  -7.853   3.466
 1380    HD3  LYS  31           HD3      LYS  31  21.211  -6.091   3.380
 1381    HE2  LYS  31           HE2      LYS  31  20.369  -5.907   5.623
 1382    HE3  LYS  31           HE3      LYS  31  20.111  -7.651   5.714
 1383    HZ1  LYS  31           HZ1      LYS  31  22.761  -6.343   5.388
 1384    HZ2  LYS  31           HZ2      LYS  31  22.475  -8.000   5.586
 1385    HZ3  LYS  31           HZ3      LYS  31  22.146  -6.926   6.858
 1386    H    SER  32           H        SER  32  18.469  -9.318  -0.121
 1387    HA   SER  32           HA       SER  32  19.130  -8.011  -2.557
 1388    HB2  SER  32           HB2      SER  32  20.172 -10.130  -1.705
 1389    HB3  SER  32           HB3      SER  32  18.672 -10.966  -2.102
 1390    HG   SER  32           HG       SER  32  19.042 -10.694  -4.225
 1391    H    GLU  33           H        GLU  33  16.289  -9.784  -1.432
 1392    HA   GLU  33           HA       GLU  33  15.132 -10.132  -4.010
 1393    HB2  GLU  33           HB2      GLU  33  13.617 -10.092  -1.402
 1394    HB3  GLU  33           HB3      GLU  33  13.194 -10.940  -2.883
 1395    HG2  GLU  33           HG2      GLU  33  15.487 -11.578  -1.045
 1396    HG3  GLU  33           HG3      GLU  33  13.986 -12.484  -1.211
 1397    H    LEU  34           H        LEU  34  14.532  -7.880  -1.342
 1398    HA   LEU  34           HA       LEU  34  12.520  -6.397  -2.630
 1399    HB2  LEU  34           HB2      LEU  34  14.352  -5.909  -0.331
 1400    HB3  LEU  34           HB3      LEU  34  13.458  -4.557  -1.000
 1401    HG   LEU  34           HG       LEU  34  12.150  -7.083  -0.014
 1402   HD11  LEU  34          HD11      LEU  34  11.508  -5.752   1.942
 1403   HD12  LEU  34          HD12      LEU  34  13.256  -5.956   1.834
 1404   HD13  LEU  34          HD13      LEU  34  12.515  -4.425   1.361
 1405   HD21  LEU  34          HD21      LEU  34  10.845  -5.900  -1.657
 1406   HD22  LEU  34          HD22      LEU  34  10.138  -5.658  -0.058
 1407   HD23  LEU  34          HD23      LEU  34  11.097  -4.375  -0.805
 1408    H    LYS  35           H        LYS  35  16.041  -6.039  -2.563
 1409    HA   LYS  35           HA       LYS  35  16.173  -3.562  -3.830
 1410    HB2  LYS  35           HB2      LYS  35  18.131  -4.641  -2.793
 1411    HB3  LYS  35           HB3      LYS  35  18.151  -5.831  -4.092
 1412    HG2  LYS  35           HG2      LYS  35  18.738  -4.232  -5.708
 1413    HG3  LYS  35           HG3      LYS  35  18.340  -2.886  -4.628
 1414    HD2  LYS  35           HD2      LYS  35  20.715  -3.037  -4.695
 1415    HD3  LYS  35           HD3      LYS  35  20.197  -3.658  -3.125
 1416    HE2  LYS  35           HE2      LYS  35  20.340  -5.956  -4.051
 1417    HE3  LYS  35           HE3      LYS  35  20.994  -5.265  -5.532
 1418    HZ1  LYS  35           HZ1      LYS  35  22.224  -5.104  -2.836
 1419    HZ2  LYS  35           HZ2      LYS  35  22.838  -4.356  -4.227
 1420    HZ3  LYS  35           HZ3      LYS  35  22.771  -6.047  -4.137
 1421    H    GLU  36           H        GLU  36  16.251  -6.824  -5.273
 1422    HA   GLU  36           HA       GLU  36  16.475  -5.910  -7.924
 1423    HB2  GLU  36           HB2      GLU  36  16.732  -8.319  -6.949
 1424    HB3  GLU  36           HB3      GLU  36  15.001  -8.425  -7.260
 1425    HG2  GLU  36           HG2      GLU  36  15.431  -7.798  -9.602
 1426    HG3  GLU  36           HG3      GLU  36  17.153  -7.835  -9.273
 1427    H    LEU  37           H        LEU  37  13.702  -6.632  -5.889
 1428    HA   LEU  37           HA       LEU  37  11.616  -6.253  -7.682
 1429    HB2  LEU  37           HB2      LEU  37  11.524  -7.000  -5.267
 1430    HB3  LEU  37           HB3      LEU  37  11.690  -5.309  -4.826
 1431    HG   LEU  37           HG       LEU  37   9.466  -5.825  -6.661
 1432   HD11  LEU  37          HD11      LEU  37   8.045  -6.835  -4.950
 1433   HD12  LEU  37          HD12      LEU  37   9.391  -7.896  -5.365
 1434   HD13  LEU  37          HD13      LEU  37   9.430  -6.967  -3.868
 1435   HD21  LEU  37          HD21      LEU  37   9.715  -4.464  -3.978
 1436   HD22  LEU  37          HD22      LEU  37   9.845  -3.681  -5.553
 1437   HD23  LEU  37          HD23      LEU  37   8.311  -4.390  -5.046
 1438    H    LEU  38           H        LEU  38  13.183  -3.854  -5.575
 1439    HA   LEU  38           HA       LEU  38  11.722  -1.661  -6.622
 1440    HB2  LEU  38           HB2      LEU  38  14.098  -1.933  -4.824
 1441    HB3  LEU  38           HB3      LEU  38  13.630  -0.350  -5.425
 1442    HG   LEU  38           HG       LEU  38  11.308  -1.638  -4.363
 1443   HD11  LEU  38          HD11      LEU  38  12.824  -3.032  -3.067
 1444   HD12  LEU  38          HD12      LEU  38  13.673  -1.596  -2.491
 1445   HD13  LEU  38          HD13      LEU  38  11.994  -1.876  -2.025
 1446   HD21  LEU  38          HD21      LEU  38  12.953   0.701  -3.394
 1447   HD22  LEU  38          HD22      LEU  38  11.629   0.769  -4.557
 1448   HD23  LEU  38          HD23      LEU  38  11.309   0.318  -2.883
 1449    H    THR  39           H        THR  39  14.864  -3.060  -7.472
 1450    HA   THR  39           HA       THR  39  15.696  -0.903  -9.131
 1451    HB   THR  39           HB       THR  39  17.222  -2.534 -10.211
 1452    HG1  THR  39           HG1      THR  39  15.468  -4.316  -9.133
 1453   HG21  THR  39          HG21      THR  39  17.137  -2.737  -7.218
 1454   HG22  THR  39          HG22      THR  39  17.883  -1.435  -8.148
 1455   HG23  THR  39          HG23      THR  39  18.530  -3.074  -8.243
 1456    H    ARG  40           H        ARG  40  13.405  -3.374  -9.486
 1457    HA   ARG  40           HA       ARG  40  13.541  -3.421 -12.372
 1458    HB2  ARG  40           HB2      ARG  40  12.285  -5.052 -10.246
 1459    HB3  ARG  40           HB3      ARG  40  11.501  -5.047 -11.824
 1460    HG2  ARG  40           HG2      ARG  40  14.343  -5.833 -11.218
 1461    HG3  ARG  40           HG3      ARG  40  13.019  -6.900 -11.706
 1462    HD2  ARG  40           HD2      ARG  40  14.373  -4.753 -13.307
 1463    HD3  ARG  40           HD3      ARG  40  14.302  -6.488 -13.651
 1464    HE   ARG  40           HE       ARG  40  11.686  -5.344 -13.516
 1465   HH11  ARG  40          HH12      ARG  40  14.430  -5.778 -15.655
 1466   HH12  ARG  40          HH11      ARG  40  13.501  -5.471 -17.093
 1467   HH21  ARG  40          HH22      ARG  40  10.481  -4.968 -15.382
 1468   HH22  ARG  40          HH21      ARG  40  11.248  -5.027 -16.936
 1469    H    GLU  41           H        GLU  41  10.802  -3.167 -10.105
 1470    HA   GLU  41           HA       GLU  41   9.453  -1.635 -12.193
 1471    HB2  GLU  41           HB2      GLU  41   8.441  -3.388  -9.987
 1472    HB3  GLU  41           HB3      GLU  41   7.390  -2.163 -10.690
 1473    HG2  GLU  41           HG2      GLU  41   6.917  -4.125 -11.880
 1474    HG3  GLU  41           HG3      GLU  41   7.941  -3.174 -12.942
 1475    H    LEU  42           H        LEU  42  11.025  -1.063  -9.258
 1476    HA   LEU  42           HA       LEU  42   9.477   1.443  -8.971
 1477    HB2  LEU  42           HB2      LEU  42  11.017   0.012  -6.809
 1478    HB3  LEU  42           HB3      LEU  42  10.100   1.489  -6.616
 1479    HG   LEU  42           HG       LEU  42   8.066   0.054  -7.347
 1480   HD11  LEU  42          HD11      LEU  42   9.331  -1.891  -8.068
 1481   HD12  LEU  42          HD12      LEU  42   9.972  -2.089  -6.435
 1482   HD13  LEU  42          HD13      LEU  42   8.246  -2.295  -6.738
 1483   HD21  LEU  42          HD21      LEU  42   9.409  -0.332  -4.676
 1484   HD22  LEU  42          HD22      LEU  42   8.351   1.004  -5.128
 1485   HD23  LEU  42          HD23      LEU  42   7.708  -0.635  -5.022
 1486    HA   PRO  43           HA       PRO  43  14.219   2.093  -9.582
 1487    HB2  PRO  43           HB2      PRO  43  13.669   3.244 -12.213
 1488    HB3  PRO  43           HB3      PRO  43  14.822   1.985 -11.769
 1489    HG2  PRO  43           HG2      PRO  43  12.608   1.454 -13.212
 1490    HG3  PRO  43           HG3      PRO  43  13.292   0.291 -12.060
 1491    HD2  PRO  43           HD2      PRO  43  10.949   2.130 -11.732
 1492    HD3  PRO  43           HD3      PRO  43  11.129   0.434 -11.232
 1493    H    SER  44           H        SER  44  11.425   3.969 -10.510
 1494    HA   SER  44           HA       SER  44  12.597   6.535 -10.287
 1495    HB2  SER  44           HB2      SER  44  10.081   7.160 -10.001
 1496    HB3  SER  44           HB3      SER  44  10.621   6.475 -11.535
 1497    HG   SER  44           HG       SER  44   8.836   5.322 -10.954
 1498    H    PHE  45           H        PHE  45  10.835   4.439  -8.062
 1499    HA   PHE  45           HA       PHE  45  10.735   6.426  -5.970
 1500    HB2  PHE  45           HB2      PHE  45  10.168   3.483  -5.629
 1501    HB3  PHE  45           HB3      PHE  45   9.528   4.836  -4.703
 1502    HD1  PHE  45           HD2      PHE  45   8.376   6.652  -6.534
 1503    HD2  PHE  45           HD1      PHE  45   8.574   2.407  -6.792
 1504    HE1  PHE  45           HE2      PHE  45   6.372   6.642  -7.960
 1505    HE2  PHE  45           HE1      PHE  45   6.582   2.393  -8.224
 1506    HZ   PHE  45           HZ       PHE  45   5.479   4.503  -8.810
 1507    H    LEU  46           H        LEU  46  13.379   5.293  -7.024
 1508    HA   LEU  46           HA       LEU  46  14.411   4.492  -4.410
 1509    HB2  LEU  46           HB2      LEU  46  15.927   4.701  -7.019
 1510    HB3  LEU  46           HB3      LEU  46  16.519   4.020  -5.517
 1511    HG   LEU  46           HG       LEU  46  14.536   2.875  -7.446
 1512   HD11  LEU  46          HD11      LEU  46  16.967   1.758  -6.065
 1513   HD12  LEU  46          HD12      LEU  46  15.947   0.893  -7.215
 1514   HD13  LEU  46          HD13      LEU  46  16.869   2.301  -7.740
 1515   HD21  LEU  46          HD21      LEU  46  14.774   2.210  -4.514
 1516   HD22  LEU  46          HD22      LEU  46  13.335   2.649  -5.430
 1517   HD23  LEU  46          HD23      LEU  46  14.108   1.091  -5.706
 1518    H    GLY  47           H        GLY  47  14.207   7.134  -6.596
 1519    HA2  GLY  47           HA2      GLY  47  14.775   9.344  -6.433
 1520    HA3  GLY  47           HA3      GLY  47  14.991   9.068  -4.717
 1521    H    LYS  48           H        LYS  48  17.117   7.142  -5.053
 1522    HA   LYS  48           HA       LYS  48  19.259   8.757  -6.251
 1523    HB2  LYS  48           HB2      LYS  48  19.536   9.168  -3.947
 1524    HB3  LYS  48           HB3      LYS  48  19.085   7.531  -3.509
 1525    HG2  LYS  48           HG2      LYS  48  21.435   7.912  -3.112
 1526    HG3  LYS  48           HG3      LYS  48  21.210   6.707  -4.377
 1527    HD2  LYS  48           HD2      LYS  48  21.704   8.360  -6.078
 1528    HD3  LYS  48           HD3      LYS  48  21.836   9.618  -4.846
 1529    HE2  LYS  48           HE2      LYS  48  24.039   8.804  -5.557
 1530    HE3  LYS  48           HE3      LYS  48  23.736   8.484  -3.852
 1531    HZ1  LYS  48           HZ1      LYS  48  24.748   6.586  -4.967
 1532    HZ2  LYS  48           HZ2      LYS  48  23.448   6.503  -6.051
 1533    HZ3  LYS  48           HZ3      LYS  48  23.198   6.194  -4.399
 1534    H    ARG  49           H        ARG  49  19.144   5.677  -4.523
 1535    HA   ARG  49           HA       ARG  49  19.082   3.847  -6.550
 1536    HB2  ARG  49           HB2      ARG  49  21.175   5.113  -7.338
 1537    HB3  ARG  49           HB3      ARG  49  21.981   4.439  -5.928
 1538    HG2  ARG  49           HG2      ARG  49  22.444   3.120  -7.917
 1539    HG3  ARG  49           HG3      ARG  49  21.524   2.180  -6.737
 1540    HD2  ARG  49           HD2      ARG  49  20.695   1.877  -9.038
 1541    HD3  ARG  49           HD3      ARG  49  19.478   2.576  -7.965
 1542    HE   ARG  49           HE       ARG  49  21.052   4.477  -9.491
 1543   HH11  ARG  49          HH12      ARG  49  18.137   2.544  -9.401
 1544   HH12  ARG  49          HH11      ARG  49  17.247   3.615 -10.443
 1545   HH21  ARG  49          HH22      ARG  49  19.889   5.893 -10.834
 1546   HH22  ARG  49          HH21      ARG  49  18.243   5.522 -11.255
 1547    H    THR  50           H        THR  50  19.533   1.724  -5.756
 1548    HA   THR  50           HA       THR  50  19.539   1.487  -2.919
 1549    HB   THR  50           HB       THR  50  19.796  -0.997  -3.495
 1550    HG1  THR  50           HG1      THR  50  20.553  -1.043  -5.542
 1551   HG21  THR  50          HG21      THR  50  17.462   0.562  -4.615
 1552   HG22  THR  50          HG22      THR  50  17.648   0.029  -2.944
 1553   HG23  THR  50          HG23      THR  50  17.455  -1.161  -4.233
 1554    H    ASP  51           H        ASP  51  21.384   2.236  -2.018
 1555    HA   ASP  51           HA       ASP  51  23.969   1.354  -3.031
 1556    HB2  ASP  51           HB2      ASP  51  23.127   3.386  -0.973
 1557    HB3  ASP  51           HB3      ASP  51  24.799   2.848  -1.091
 1558    H    GLU  52           H        GLU  52  25.489   0.257  -1.736
 1559    HA   GLU  52           HA       GLU  52  24.365  -1.898  -0.319
 1560    HB2  GLU  52           HB2      GLU  52  27.224  -0.942  -0.493
 1561    HB3  GLU  52           HB3      GLU  52  26.729  -2.494   0.175
 1562    HG2  GLU  52           HG2      GLU  52  25.968  -3.267  -1.910
 1563    HG3  GLU  52           HG3      GLU  52  26.020  -1.653  -2.616
 1564    H    ALA  53           H        ALA  53  26.171   0.948   0.846
 1565    HA   ALA  53           HA       ALA  53  26.029   0.157   3.590
 1566    HB1  ALA  53           HB1      ALA  53  26.551   2.887   2.413
 1567    HB2  ALA  53           HB2      ALA  53  26.852   2.400   4.081
 1568    HB3  ALA  53           HB3      ALA  53  27.771   1.664   2.769
 1569    H    ALA  54           H        ALA  54  23.810   1.553   1.444
 1570    HA   ALA  54           HA       ALA  54  22.206   2.799   3.528
 1571    HB1  ALA  54           HB1      ALA  54  22.347   3.981   1.451
 1572    HB2  ALA  54           HB2      ALA  54  21.822   2.545   0.564
 1573    HB3  ALA  54           HB3      ALA  54  20.698   3.371   1.648
 1574    H    PHE  55           H        PHE  55  22.181  -0.023   1.421
 1575    HA   PHE  55           HA       PHE  55  19.483  -0.710   1.936
 1576    HB2  PHE  55           HB2      PHE  55  21.242  -1.559   0.088
 1577    HB3  PHE  55           HB3      PHE  55  21.325  -2.913   1.217
 1578    HD1  PHE  55           HD1      PHE  55  18.940  -3.704   2.095
 1579    HD2  PHE  55           HD2      PHE  55  19.664  -1.675  -1.574
 1580    HE1  PHE  55           HE1      PHE  55  16.807  -4.546   1.215
 1581    HE2  PHE  55           HE2      PHE  55  17.529  -2.507  -2.454
 1582    HZ   PHE  55           HZ       PHE  55  16.095  -3.943  -1.062
 1583    H    GLN  56           H        GLN  56  22.446  -1.376   3.651
 1584    HA   GLN  56           HA       GLN  56  21.488  -3.432   5.318
 1585    HB2  GLN  56           HB2      GLN  56  23.269  -2.853   6.839
 1586    HB3  GLN  56           HB3      GLN  56  23.874  -2.726   5.194
 1587    HG2  GLN  56           HG2      GLN  56  23.556  -0.286   5.300
 1588    HG3  GLN  56           HG3      GLN  56  23.047  -0.452   6.980
 1589   HE21  GLN  56          HE21      GLN  56  25.301   0.994   5.845
 1590   HE22  GLN  56          HE22      GLN  56  26.723   0.345   6.595
 1591    H    LYS  57           H        LYS  57  20.958  -0.028   5.220
 1592    HA   LYS  57           HA       LYS  57  19.490   0.090   7.703
 1593    HB2  LYS  57           HB2      LYS  57  19.649   2.055   5.400
 1594    HB3  LYS  57           HB3      LYS  57  18.935   2.378   6.975
 1595    HG2  LYS  57           HG2      LYS  57  21.034   2.333   8.045
 1596    HG3  LYS  57           HG3      LYS  57  21.822   1.628   6.630
 1597    HD2  LYS  57           HD2      LYS  57  21.504   3.650   5.376
 1598    HD3  LYS  57           HD3      LYS  57  20.526   4.361   6.665
 1599    HE2  LYS  57           HE2      LYS  57  23.454   3.628   6.841
 1600    HE3  LYS  57           HE3      LYS  57  22.806   5.255   6.650
 1601    HZ1  LYS  57           HZ1      LYS  57  22.571   3.464   8.998
 1602    HZ2  LYS  57           HZ2      LYS  57  21.586   4.832   8.802
 1603    HZ3  LYS  57           HZ3      LYS  57  23.270   5.009   8.919
 1604    H    LEU  58           H        LEU  58  18.817   0.137   4.228
 1605    HA   LEU  58           HA       LEU  58  16.128   0.703   4.242
 1606    HB2  LEU  58           HB2      LEU  58  17.509   0.606   2.209
 1607    HB3  LEU  58           HB3      LEU  58  17.530  -1.147   2.321
 1608    HG   LEU  58           HG       LEU  58  15.047  -1.145   2.113
 1609   HD11  LEU  58          HD11      LEU  58  14.883   1.240   2.937
 1610   HD12  LEU  58          HD12      LEU  58  15.336   1.725   1.298
 1611   HD13  LEU  58          HD13      LEU  58  13.862   0.797   1.570
 1612   HD21  LEU  58          HD21      LEU  58  16.572  -1.435   0.151
 1613   HD22  LEU  58          HD22      LEU  58  14.968  -0.796  -0.231
 1614   HD23  LEU  58          HD23      LEU  58  16.362   0.288  -0.179
 1615    H    MET  59           H        MET  59  17.498  -2.569   4.033
 1616    HA   MET  59           HA       MET  59  15.240  -4.080   4.021
 1617    HB2  MET  59           HB2      MET  59  17.163  -5.317   3.848
 1618    HB3  MET  59           HB3      MET  59  17.958  -4.475   5.162
 1619    HG2  MET  59           HG2      MET  59  17.446  -6.879   5.574
 1620    HG3  MET  59           HG3      MET  59  16.846  -5.765   6.797
 1621    HE1  MET  59           HE1      MET  59  14.752  -5.971   3.398
 1622    HE2  MET  59           HE2      MET  59  15.901  -7.319   3.418
 1623    HE3  MET  59           HE3      MET  59  14.164  -7.633   3.561
 1624    H    SER  60           H        SER  60  16.820  -2.860   6.952
 1625    HA   SER  60           HA       SER  60  14.658  -3.956   8.541
 1626    HB2  SER  60           HB2      SER  60  17.069  -4.238   9.127
 1627    HB3  SER  60           HB3      SER  60  17.131  -2.509   9.479
 1628    HG   SER  60           HG       SER  60  15.023  -3.591  10.736
 1629    H    ASN  61           H        ASN  61  15.189  -1.142   6.886
 1630    HA   ASN  61           HA       ASN  61  13.749   0.582   8.720
 1631    HB2  ASN  61           HB2      ASN  61  14.952   0.918   6.021
 1632    HB3  ASN  61           HB3      ASN  61  13.580   1.944   6.429
 1633   HD21  ASN  61          HD21      ASN  61  14.716   3.831   6.528
 1634   HD22  ASN  61          HD22      ASN  61  15.886   4.163   7.761
 1635    H    LEU  62           H        LEU  62  13.148  -1.798   6.419
 1636    HA   LEU  62           HA       LEU  62  10.292  -1.181   6.532
 1637    HB2  LEU  62           HB2      LEU  62  11.903  -3.134   4.908
 1638    HB3  LEU  62           HB3      LEU  62  10.163  -3.289   5.064
 1639    HG   LEU  62           HG       LEU  62  10.551  -2.187   3.029
 1640   HD11  LEU  62          HD11      LEU  62   8.708  -1.254   4.251
 1641   HD12  LEU  62          HD12      LEU  62   9.797  -0.149   5.123
 1642   HD13  LEU  62          HD13      LEU  62   9.542   0.032   3.382
 1643   HD21  LEU  62          HD21      LEU  62  12.851  -1.520   3.342
 1644   HD22  LEU  62          HD22      LEU  62  11.882  -0.151   2.799
 1645   HD23  LEU  62          HD23      LEU  62  12.354  -0.279   4.494
 1646    H    ASP  63           H        ASP  63  12.233  -4.145   6.724
 1647    HA   ASP  63           HA       ASP  63  10.468  -5.450   8.486
 1648    HB2  ASP  63           HB2      ASP  63  11.912  -6.812   7.176
 1649    HB3  ASP  63           HB3      ASP  63  13.346  -5.964   7.747
 1650    H    SER  64           H        SER  64   9.993  -4.572  10.355
 1651    HA   SER  64           HA       SER  64  11.985  -3.152  11.900
 1652    HB2  SER  64           HB2      SER  64   9.083  -3.756  12.510
 1653    HB3  SER  64           HB3      SER  64  10.107  -2.609  13.375
 1654    HG   SER  64           HG       SER  64   9.288  -2.475  10.649
 1655    H    ASN  65           H        ASN  65  11.270  -6.326  11.525
 1656    HA   ASN  65           HA       ASN  65  11.480  -7.092  14.329
 1657    HB2  ASN  65           HB2      ASN  65  11.447  -8.932  11.930
 1658    HB3  ASN  65           HB3      ASN  65  11.060  -9.334  13.598
 1659   HD21  ASN  65          HD21      ASN  65   9.969  -7.866  10.673
 1660   HD22  ASN  65          HD22      ASN  65   8.297  -7.699  11.124
 1661    H    ARG  66           H        ARG  66  13.497  -6.364  11.760
 1662    HA   ARG  66           HA       ARG  66  15.726  -6.517  11.372
 1663    HB2  ARG  66           HB2      ARG  66  15.883  -7.267  14.298
 1664    HB3  ARG  66           HB3      ARG  66  17.224  -6.729  13.298
 1665    HG2  ARG  66           HG2      ARG  66  16.090  -4.560  12.999
 1666    HG3  ARG  66           HG3      ARG  66  14.815  -5.109  14.088
 1667    HD2  ARG  66           HD2      ARG  66  17.731  -4.734  14.746
 1668    HD3  ARG  66           HD3      ARG  66  16.379  -3.762  15.326
 1669    HE   ARG  66           HE       ARG  66  15.834  -6.354  16.104
 1670   HH11  ARG  66          HH12      ARG  66  18.323  -3.962  16.717
 1671   HH12  ARG  66          HH11      ARG  66  18.765  -4.640  18.260
 1672   HH21  ARG  66          HH22      ARG  66  16.380  -7.217  18.120
 1673   HH22  ARG  66          HH21      ARG  66  17.642  -6.490  19.067
 1674    H    ASP  67           H        ASP  67  14.302  -8.646  10.567
 1675    HA   ASP  67           HA       ASP  67  15.767 -11.046  11.462
 1676    HB2  ASP  67           HB2      ASP  67  13.256 -11.023  11.622
 1677    HB3  ASP  67           HB3      ASP  67  13.193 -10.867   9.872
 1678    H    ASN  68           H        ASN  68  15.482  -8.760   9.035
 1679    HA   ASN  68           HA       ASN  68  16.731  -8.396   7.172
 1680    HB2  ASN  68           HB2      ASN  68  18.012 -10.997   7.979
 1681    HB3  ASN  68           HB3      ASN  68  18.429 -10.199   6.470
 1682   HD21  ASN  68          HD21      ASN  68  17.654  -8.595   9.504
 1683   HD22  ASN  68          HD22      ASN  68  19.231  -7.924   9.758
 1684    H    GLU  69           H        GLU  69  14.169  -9.761   7.261
 1685    HA   GLU  69           HA       GLU  69  13.951 -10.305   4.492
 1686    HB2  GLU  69           HB2      GLU  69  12.930 -12.602   4.782
 1687    HB3  GLU  69           HB3      GLU  69  14.675 -12.514   4.959
 1688    HG2  GLU  69           HG2      GLU  69  14.457 -12.604   7.372
 1689    HG3  GLU  69           HG3      GLU  69  12.700 -12.618   7.228
 1690    H    VAL  70           H        VAL  70  12.264  -9.156   4.060
 1691    HA   VAL  70           HA       VAL  70  10.472  -8.268   6.063
 1692    HB   VAL  70           HB       VAL  70  10.828  -7.780   3.147
 1693   HG11  VAL  70          HG11      VAL  70   8.401  -8.045   3.366
 1694   HG12  VAL  70          HG12      VAL  70   8.399  -6.860   4.670
 1695   HG13  VAL  70          HG13      VAL  70   8.854  -6.372   3.040
 1696   HG21  VAL  70          HG21      VAL  70  10.963  -5.467   3.915
 1697   HG22  VAL  70          HG22      VAL  70  10.571  -5.990   5.555
 1698   HG23  VAL  70          HG23      VAL  70  12.082  -6.504   4.802
 1699    H    ASP  71           H        ASP  71   8.631  -9.039   6.735
 1700    HA   ASP  71           HA       ASP  71   7.431 -11.365   5.511
 1701    HB2  ASP  71           HB2      ASP  71   5.911 -11.379   7.406
 1702    HB3  ASP  71           HB3      ASP  71   7.558 -11.140   7.979
 1703    H    PHE  72           H        PHE  72   4.730 -11.035   5.853
 1704    HA   PHE  72           HA       PHE  72   4.278  -9.841   3.329
 1705    HB2  PHE  72           HB2      PHE  72   3.149 -11.910   4.240
 1706    HB3  PHE  72           HB3      PHE  72   2.137 -10.833   5.193
 1707    HD1  PHE  72           HD2      PHE  72   3.236  -9.869   1.834
 1708    HD2  PHE  72           HD1      PHE  72   0.125 -11.632   4.141
 1709    HE1  PHE  72           HE2      PHE  72   1.705  -9.633  -0.069
 1710    HE2  PHE  72           HE1      PHE  72  -1.408 -11.411   2.237
 1711    HZ   PHE  72           HZ       PHE  72  -0.622 -10.407   0.129
 1712    H    GLN  73           H        GLN  73   2.963  -8.968   6.588
 1713    HA   GLN  73           HA       GLN  73   1.604  -6.698   5.524
 1714    HB2  GLN  73           HB2      GLN  73   1.344  -7.879   7.906
 1715    HB3  GLN  73           HB3      GLN  73   2.466  -6.608   8.380
 1716    HG2  GLN  73           HG2      GLN  73   0.922  -4.968   7.298
 1717    HG3  GLN  73           HG3      GLN  73  -0.248  -6.281   7.171
 1718   HE21  GLN  73          HE21      GLN  73   1.385  -4.083   9.270
 1719   HE22  GLN  73          HE22      GLN  73   0.405  -4.385  10.672
 1720    H    GLU  74           H        GLU  74   4.820  -7.218   6.865
 1721    HA   GLU  74           HA       GLU  74   5.596  -4.504   6.973
 1722    HB2  GLU  74           HB2      GLU  74   6.763  -6.650   7.906
 1723    HB3  GLU  74           HB3      GLU  74   7.533  -6.696   6.327
 1724    HG2  GLU  74           HG2      GLU  74   9.067  -5.530   7.572
 1725    HG3  GLU  74           HG3      GLU  74   8.138  -4.213   6.836
 1726    H    TYR  75           H        TYR  75   5.592  -6.931   4.456
 1727    HA   TYR  75           HA       TYR  75   7.017  -5.506   2.493
 1728    HB2  TYR  75           HB2      TYR  75   6.584  -7.900   2.291
 1729    HB3  TYR  75           HB3      TYR  75   4.851  -7.606   2.193
 1730    HD1  TYR  75           HD2      TYR  75   3.945  -6.403   0.152
 1731    HD2  TYR  75           HD1      TYR  75   7.953  -7.833   0.399
 1732    HE1  TYR  75           HE2      TYR  75   4.132  -6.247  -2.293
 1733    HE2  TYR  75           HE1      TYR  75   8.146  -7.679  -2.060
 1734    HH   TYR  75           HH       TYR  75   5.890  -6.036  -3.990
 1735    H    CYS  76           H        CYS  76   3.633  -5.486   3.455
 1736    HA   CYS  76           HA       CYS  76   2.962  -3.868   1.169
 1737    HB2  CYS  76           HB2      CYS  76   1.167  -4.710   3.451
 1738    HB3  CYS  76           HB3      CYS  76   0.656  -4.102   1.876
 1739    HG   CYS  76           HG       CYS  76   2.239  -7.094   2.431
 1740    H    VAL  77           H        VAL  77   3.266  -3.436   4.677
 1741    HA   VAL  77           HA       VAL  77   2.441  -0.736   4.665
 1742    HB   VAL  77           HB       VAL  77   2.732  -1.924   6.779
 1743   HG11  VAL  77          HG11      VAL  77   5.002  -2.354   7.649
 1744   HG12  VAL  77          HG12      VAL  77   4.574  -3.331   6.240
 1745   HG13  VAL  77          HG13      VAL  77   5.644  -1.939   6.054
 1746   HG21  VAL  77          HG21      VAL  77   2.897   0.499   6.856
 1747   HG22  VAL  77          HG22      VAL  77   3.979  -0.230   8.041
 1748   HG23  VAL  77          HG23      VAL  77   4.629   0.408   6.532
 1749    H    PHE  78           H        PHE  78   5.511  -2.324   4.009
 1750    HA   PHE  78           HA       PHE  78   7.210  -0.290   3.379
 1751    HB2  PHE  78           HB2      PHE  78   8.004  -2.461   3.033
 1752    HB3  PHE  78           HB3      PHE  78   6.599  -2.932   2.092
 1753    HD1  PHE  78           HD1      PHE  78   6.457  -2.414  -0.287
 1754    HD2  PHE  78           HD2      PHE  78   9.856  -1.344   2.044
 1755    HE1  PHE  78           HE1      PHE  78   7.752  -2.071  -2.351
 1756    HE2  PHE  78           HE2      PHE  78  11.162  -0.998  -0.019
 1757    HZ   PHE  78           HZ       PHE  78  10.113  -1.357  -2.217
 1758    H    LEU  79           H        LEU  79   4.645  -1.595   1.357
 1759    HA   LEU  79           HA       LEU  79   5.027   0.122  -0.831
 1760    HB2  LEU  79           HB2      LEU  79   2.882  -1.713   0.083
 1761    HB3  LEU  79           HB3      LEU  79   2.530  -0.584  -1.215
 1762    HG   LEU  79           HG       LEU  79   4.987  -1.817  -1.855
 1763   HD11  LEU  79          HD11      LEU  79   4.365  -3.589  -0.273
 1764   HD12  LEU  79          HD12      LEU  79   2.839  -3.801  -1.131
 1765   HD13  LEU  79          HD13      LEU  79   4.364  -4.155  -1.943
 1766   HD21  LEU  79          HD21      LEU  79   3.010  -0.868  -3.167
 1767   HD22  LEU  79          HD22      LEU  79   3.884  -2.273  -3.826
 1768   HD23  LEU  79          HD23      LEU  79   2.326  -2.498  -3.015
 1769    H    SER  80           H        SER  80   2.845   0.290   1.947
 1770    HA   SER  80           HA       SER  80   1.450   2.543   0.861
 1771    HB2  SER  80           HB2      SER  80   0.574   2.608   3.300
 1772    HB3  SER  80           HB3      SER  80   0.159   1.242   2.265
 1773    HG   SER  80           HG       SER  80   0.919   0.148   3.899
 1774    H    CYS  81           H        CYS  81   4.203   1.968   2.785
 1775    HA   CYS  81           HA       CYS  81   4.509   4.659   3.677
 1776    HB2  CYS  81           HB2      CYS  81   6.359   2.289   3.675
 1777    HB3  CYS  81           HB3      CYS  81   6.755   3.848   4.399
 1778    HG   CYS  81           HG       CYS  81   4.492   1.548   5.400
 1779    H    ILE  82           H        ILE  82   5.231   2.984   0.753
 1780    HA   ILE  82           HA       ILE  82   6.973   5.111  -0.148
 1781    HB   ILE  82           HB       ILE  82   5.537   2.984  -1.764
 1782   HG12  ILE  82          HG12      ILE  82   8.283   3.249  -0.595
 1783   HG13  ILE  82          HG13      ILE  82   7.225   1.843  -0.657
 1784   HG21  ILE  82          HG21      ILE  82   6.933   3.728  -3.642
 1785   HG22  ILE  82          HG22      ILE  82   5.865   5.016  -3.082
 1786   HG23  ILE  82          HG23      ILE  82   7.575   5.037  -2.647
 1787   HD11  ILE  82          HD11      ILE  82   8.802   3.024  -2.939
 1788   HD12  ILE  82          HD12      ILE  82   9.124   1.507  -2.097
 1789   HD13  ILE  82          HD13      ILE  82   7.669   1.668  -3.085
 1790    H    ALA  83           H        ALA  83   3.636   4.091  -0.843
 1791    HA   ALA  83           HA       ALA  83   3.001   6.266  -2.499
 1792    HB1  ALA  83           HB1      ALA  83   1.748   4.130  -2.347
 1793    HB2  ALA  83           HB2      ALA  83   1.082   4.684  -0.810
 1794    HB3  ALA  83           HB3      ALA  83   0.725   5.572  -2.293
 1795    H    MET  84           H        MET  84   2.485   5.793   0.979
 1796    HA   MET  84           HA       MET  84   1.294   8.386   1.319
 1797    HB2  MET  84           HB2      MET  84   0.622   6.578   2.760
 1798    HB3  MET  84           HB3      MET  84   2.276   6.350   3.298
 1799    HG2  MET  84           HG2      MET  84   2.146   8.724   4.190
 1800    HG3  MET  84           HG3      MET  84   0.403   8.596   3.926
 1801    HE1  MET  84           HE1      MET  84   2.239   5.404   4.498
 1802    HE2  MET  84           HE2      MET  84   3.403   6.473   5.323
 1803    HE3  MET  84           HE3      MET  84   2.467   5.268   6.259
 1804    H    MET  85           H        MET  85   4.495   7.125   1.334
 1805    HA   MET  85           HA       MET  85   5.688   9.384   2.572
 1806    HB2  MET  85           HB2      MET  85   6.751   7.162   2.150
 1807    HB3  MET  85           HB3      MET  85   6.901   7.645   0.451
 1808    HG2  MET  85           HG2      MET  85   7.928   9.799   1.684
 1809    HG3  MET  85           HG3      MET  85   8.389   8.536   2.810
 1810    HE1  MET  85           HE1      MET  85  10.469   6.362   1.743
 1811    HE2  MET  85           HE2      MET  85   8.683   6.289   1.710
 1812    HE3  MET  85           HE3      MET  85   9.629   5.953   0.232
 1813    H    CYS  86           H        CYS  86   4.822   8.446  -0.698
 1814    HA   CYS  86           HA       CYS  86   5.654  10.767  -2.059
 1815    HB2  CYS  86           HB2      CYS  86   5.067   8.650  -3.187
 1816    HB3  CYS  86           HB3      CYS  86   3.385   8.877  -2.720
 1817    HG   CYS  86           HG       CYS  86   5.122  10.276  -5.220
 1818    H    ASN  87           H        ASN  87   3.039  10.151   0.049
 1819    HA   ASN  87           HA       ASN  87   1.166  12.053  -0.741
 1820    HB2  ASN  87           HB2      ASN  87   0.858  10.334   1.050
 1821    HB3  ASN  87           HB3      ASN  87   1.891  11.293   2.098
 1822   HD21  ASN  87          HD21      ASN  87  -0.505  12.557  -0.141
 1823   HD22  ASN  87          HD22      ASN  87  -1.548  13.206   1.071
 1824    H    GLU  88           H        GLU  88   4.294  12.397   0.724
 1825    HA   GLU  88           HA       GLU  88   3.873  15.203   1.375
 1826    HB2  GLU  88           HB2      GLU  88   6.343  13.474   1.561
 1827    HB3  GLU  88           HB3      GLU  88   6.238  15.142   2.107
 1828    HG2  GLU  88           HG2      GLU  88   4.420  14.418   3.665
 1829    HG3  GLU  88           HG3      GLU  88   4.787  12.753   3.209
 1830    H    PHE  89           H        PHE  89   5.132  13.277  -1.202
 1831    HA   PHE  89           HA       PHE  89   6.640  15.492  -2.329
 1832    HB2  PHE  89           HB2      PHE  89   6.295  12.623  -3.204
 1833    HB3  PHE  89           HB3      PHE  89   7.281  13.809  -4.066
 1834    HD1  PHE  89           HD1      PHE  89   9.337  14.678  -3.069
 1835    HD2  PHE  89           HD2      PHE  89   7.029  11.677  -1.133
 1836    HE1  PHE  89           HE1      PHE  89  11.238  14.181  -1.589
 1837    HE2  PHE  89           HE2      PHE  89   8.928  11.168   0.349
 1838    HZ   PHE  89           HZ       PHE  89  11.035  12.422   0.125
 1839    H    PHE  90           H        PHE  90   4.350  13.190  -3.795
 1840    HA   PHE  90           HA       PHE  90   3.745  14.903  -5.964
 1841    HB2  PHE  90           HB2      PHE  90   3.514  12.507  -6.187
 1842    HB3  PHE  90           HB3      PHE  90   2.333  12.453  -4.885
 1843    HD1  PHE  90           HD2      PHE  90   2.922  13.536  -8.359
 1844    HD2  PHE  90           HD1      PHE  90   0.037  12.889  -5.299
 1845    HE1  PHE  90           HE2      PHE  90   1.118  13.781 -10.013
 1846    HE2  PHE  90           HE1      PHE  90  -1.773  13.132  -6.948
 1847    HZ   PHE  90           HZ       PHE  90  -1.233  13.580  -9.308
 1848    H    GLU  91           H        GLU  91   2.021  14.098  -2.995
 1849    HA   GLU  91           HA       GLU  91  -0.131  15.942  -3.572
 1850    HB2  GLU  91           HB2      GLU  91  -0.745  13.948  -2.450
 1851    HB3  GLU  91           HB3      GLU  91   0.537  14.123  -1.265
 1852    HG2  GLU  91           HG2      GLU  91  -1.549  14.624  -0.227
 1853    HG3  GLU  91           HG3      GLU  91  -0.629  16.120  -0.380
 1854    H    GLY  92           H        GLY  92   2.385  15.640  -1.080
 1855    HA2  GLY  92           HA2      GLY  92   3.839  17.622  -0.805
 1856    HA3  GLY  92           HA3      GLY  92   2.369  18.585  -0.836
 1857    H    PHE  93           H        PHE  93   0.822  16.824   0.800
 1858    HA   PHE  93           HA       PHE  93   0.313  16.260   2.916
 1859    HB2  PHE  93           HB2      PHE  93   2.488  14.999   2.787
 1860    HB3  PHE  93           HB3      PHE  93   3.265  16.394   3.521
 1861    HD1  PHE  93           HD2      PHE  93   0.534  13.939   4.084
 1862    HD2  PHE  93           HD1      PHE  93   3.395  16.554   5.836
 1863    HE1  PHE  93           HE2      PHE  93  -0.026  13.053   6.308
 1864    HE2  PHE  93           HE1      PHE  93   2.841  15.672   8.065
 1865    HZ   PHE  93           HZ       PHE  93   1.129  13.920   8.304
 1866    HA   PRO  94           HA       PRO  94   0.051  20.386   4.327
 1867    HB2  PRO  94           HB2      PRO  94  -1.912  20.083   6.154
 1868    HB3  PRO  94           HB3      PRO  94  -2.215  19.962   4.418
 1869    HG2  PRO  94           HG2      PRO  94  -1.885  17.788   6.440
 1870    HG3  PRO  94           HG3      PRO  94  -3.017  17.891   5.080
 1871    HD2  PRO  94           HD2      PRO  94  -0.668  16.450   5.046
 1872    HD3  PRO  94           HD3      PRO  94  -1.487  17.064   3.598
 1873    H    ASP  95           H        ASP  95   2.296  19.375   5.312
 1874    HA   ASP  95           HA       ASP  95   2.206  20.024   8.193
 1875    HB2  ASP  95           HB2      ASP  95   4.262  18.800   8.484
 1876    HB3  ASP  95           HB3      ASP  95   3.142  17.765   7.606
 1877    H    LYS  96           H        LYS  96   3.786  20.617   5.122
 1878    HA   LYS  96           HA       LYS  96   4.815  22.436   4.259
 1879    HB2  LYS  96           HB2      LYS  96   2.836  23.571   5.283
 1880    HB3  LYS  96           HB3      LYS  96   3.804  23.877   6.714
 1881    HG2  LYS  96           HG2      LYS  96   5.365  25.201   5.324
 1882    HG3  LYS  96           HG3      LYS  96   4.284  24.959   3.948
 1883    HD2  LYS  96           HD2      LYS  96   2.512  26.131   5.048
 1884    HD3  LYS  96           HD3      LYS  96   3.430  26.203   6.554
 1885    HE2  LYS  96           HE2      LYS  96   5.122  27.593   5.408
 1886    HE3  LYS  96           HE3      LYS  96   4.112  27.581   3.962
 1887    HZ1  LYS  96           HZ1      LYS  96   2.373  28.699   5.178
 1888    HZ2  LYS  96           HZ2      LYS  96   3.811  29.587   5.303
 1889    HZ3  LYS  96           HZ3      LYS  96   3.279  28.647   6.609
 1890    H    GLN  97           H        GLN  97   6.311  20.628   5.927
 1891    HA   GLN  97           HA       GLN  97   8.160  22.055   7.531
 1892    HB2  GLN  97           HB2      GLN  97   7.985  19.640   7.714
 1893    HB3  GLN  97           HB3      GLN  97   8.459  19.443   6.033
 1894    HG2  GLN  97           HG2      GLN  97  10.295  18.918   7.533
 1895    HG3  GLN  97           HG3      GLN  97  10.672  20.320   6.535
 1896   HE21  GLN  97          HE21      GLN  97  12.183  21.156   7.922
 1897   HE22  GLN  97          HE22      GLN  97  11.777  21.848   9.455
 1898    HA   PRO  98           HA       PRO  98  10.140  24.233   4.159
 1899    HB2  PRO  98           HB2      PRO  98  12.052  25.071   6.229
 1900    HB3  PRO  98           HB3      PRO  98  10.974  26.056   5.235
 1901    HG2  PRO  98           HG2      PRO  98  10.551  25.695   7.866
 1902    HG3  PRO  98           HG3      PRO  98   9.214  25.857   6.711
 1903    HD2  PRO  98           HD2      PRO  98  10.339  23.387   7.980
 1904    HD3  PRO  98           HD3      PRO  98   8.644  23.826   7.673
 1905    H    ARG  99           H        ARG  99  11.610  23.537   2.793
 1906    HA   ARG  99           HA       ARG  99  13.405  22.520   1.864
 1907    HB2  ARG  99           HB2      ARG  99  14.563  24.134   3.419
 1908    HB3  ARG  99           HB3      ARG  99  14.737  22.806   4.556
 1909    HG2  ARG  99           HG2      ARG  99  16.020  21.562   2.858
 1910    HG3  ARG  99           HG3      ARG  99  15.902  22.959   1.786
 1911    HD2  ARG  99           HD2      ARG  99  17.276  22.806   4.458
 1912    HD3  ARG  99           HD3      ARG  99  18.023  23.046   2.879
 1913    HE   ARG  99           HE       ARG  99  16.136  25.091   3.436
 1914   HH11  ARG  99          HH12      ARG  99  19.386  24.030   4.178
 1915   HH12  ARG  99          HH11      ARG  99  19.934  25.618   4.637
 1916   HH21  ARG  99          HH22      ARG  99  16.839  27.173   4.046
 1917   HH22  ARG  99          HH21      ARG  99  18.494  27.407   4.529
 1918    H    LYS 100           H        LYS 100  12.024  20.606   1.828
 1919    HA   LYS 100           HA       LYS 100  13.416  18.339   2.876
 1920    HB2  LYS 100           HB2      LYS 100  11.934  19.104   4.790
 1921    HB3  LYS 100           HB3      LYS 100  10.556  18.696   3.776
 1922    HG2  LYS 100           HG2      LYS 100  10.988  16.898   5.309
 1923    HG3  LYS 100           HG3      LYS 100  11.363  16.368   3.667
 1924    HD2  LYS 100           HD2      LYS 100  13.070  15.624   5.259
 1925    HD3  LYS 100           HD3      LYS 100  13.740  16.750   4.076
 1926    HE2  LYS 100           HE2      LYS 100  13.606  18.560   5.687
 1927    HE3  LYS 100           HE3      LYS 100  12.851  17.486   6.863
 1928    HZ1  LYS 100           HZ1      LYS 100  15.237  17.825   7.250
 1929    HZ2  LYS 100           HZ2      LYS 100  15.583  17.111   5.752
 1930    HZ3  LYS 100           HZ3      LYS 100  14.852  16.197   6.980
 1931    H    LYS 101           H        LYS 101  10.351  19.480   1.507
 1932    HA   LYS 101           HA       LYS 101  10.721  17.668  -0.731
 1933    HB2  LYS 101           HB2      LYS 101   8.379  16.851  -0.637
 1934    HB3  LYS 101           HB3      LYS 101   9.359  16.287   0.703
 1935    HG2  LYS 101           HG2      LYS 101   7.564  18.674   0.979
 1936    HG3  LYS 101           HG3      LYS 101   6.956  17.031   1.172
 1937    HD2  LYS 101           HD2      LYS 101   8.592  16.643   2.956
 1938    HD3  LYS 101           HD3      LYS 101   9.194  18.290   2.759
 1939    HE2  LYS 101           HE2      LYS 101   7.686  18.211   4.636
 1940    HE3  LYS 101           HE3      LYS 101   6.947  19.141   3.335
 1941    HZ1  LYS 101           HZ1      LYS 101   5.367  17.641   4.365
 1942    HZ2  LYS 101           HZ2      LYS 101   6.347  16.304   3.994
 1943    HZ3  LYS 101           HZ3      LYS 101   5.629  17.205   2.749