*HEADER    BIOSYNTHETIC PROTEIN                    08-MAR-09   2KGE              
*TITLE     NMR SOLUTION STRUCTURES OF 3,5-DIOXOHEXYL ACP (A TRIKETIDE            
*TITLE    2 MIMIC) FROM THE ACTINORHODIN POLYKETIDE SYNTHASE IN                  
*TITLE    3 STREPTOMYCES COELICOLOR                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 STRAIN: A3(2);                                                       
*SOURCE   5 GENE: SCO5089, SCBAC28G1.15;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET11C                                     
*KEYWDS    ACP, TRIKETIDE, POLYKETIDE, ACTINORHODIN, ANTIBIOTIC                  
*KEYWDS   2 BIOSYNTHESIS, PHOSPHOPANTETHEINE, BIOSYNTHETIC PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   14-APR-09 2KGE    0                                                


 ASSI {    1}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.23823E-02 ppm1      4.463 ppm2      8.601 CV     1
 ASSI {    3}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.36592E-02 ppm1      4.463 ppm2      8.822 CV     1
 ASSI {    5}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      2.714 ppm2      4.242 CV     1
 ASSI {    7}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      2.494 ppm2      7.832 CV     1
 ASSI {    9}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.98137E-03 ppm1      2.460 ppm2      7.755 CV     1
 ASSI {   11}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.14705E-02 ppm1      2.471 ppm2      7.834 CV     1
 ASSI {   13}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.10539E-02 ppm1      4.240 ppm2      7.719 CV     1
 ASSI {   14}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.90926E-02 ppm1      4.065 ppm2      8.250 CV     1
 OR {   14}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   14}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   14}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {   15}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.36373E-02 ppm1      1.063 ppm2      4.272 CV     1
 ASSI {   16}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.32803E-02 ppm1      1.009 ppm2      4.274 CV     1
 ASSI {   17}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.33261E-02 ppm1      1.599 ppm2      8.453 CV     1
 ASSI {   18}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.36641E-02 ppm1      1.540 ppm2      8.451 CV     1
 ASSI {   19}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.11287E-02 ppm1      1.597 ppm2      8.245 CV     1
 ASSI {   20}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13763E-02 ppm1      1.545 ppm2      8.251 CV     1
 ASSI {   24}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.21330E-02 ppm1      1.594 ppm2      0.367 CV     1
 ASSI {   25}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13995E-02 ppm1      1.536 ppm2      0.366 CV     1
 ASSI {   26}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19271E-02 ppm1      1.594 ppm2      0.201 CV     1
 ASSI {   28}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.24730E-02 ppm1      4.308 ppm2      8.422 CV     1
 ASSI {   29}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.24090E-02 ppm1      4.308 ppm2      7.718 CV     1
 ASSI {   30}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.32824E-02 ppm1      4.315 ppm2      7.433 CV     1
 ASSI {   33}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.55280E-02 ppm1      4.284 ppm2      2.033 CV     1
 ASSI {   34}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.52324E-02 ppm1      4.309 ppm2      1.702 CV     1
 ASSI {   38}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.72100E-03 ppm1      7.437 ppm2      0.627 CV     1
 OR {   38}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {   40}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.38934E-03 ppm1      7.347 ppm2      8.849 CV     1
 ASSI {   41}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.76504E-03 ppm1      7.121 ppm2      0.202 CV     1
 OR {   41}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {   46}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.30114E-03 ppm1      6.900 ppm2      0.982 CV     1
 ASSI {   49}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.31226E-02 ppm1      6.755 ppm2      0.769 CV     1
 OR {   49}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {   50}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.22911E-02 ppm1      6.816 ppm2      0.622 CV     1
 OR {   50}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 OR {   50}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 OR {   50}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {   51}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.52299E-02 ppm1      1.209 ppm2      7.293 CV     1
 ASSI {   52}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.34482E-02 ppm1      1.208 ppm2      6.927 CV     1
 OR {   52}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {   53}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.32995E-02 ppm1      1.886 ppm2      4.273 CV     1
 ASSI {   54}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.34480E-02 ppm1      1.831 ppm2      4.273 CV     1
 ASSI {   55}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.19858E-02 ppm1      1.884 ppm2      8.155 CV     1
 ASSI {   58}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.34768E-02 ppm1      1.830 ppm2      7.777 CV     1
 ASSI {   59}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.49738E-02 ppm1      0.801 ppm2      1.264 CV     1
 ASSI {   63}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.65244E-02 ppm1      0.802 ppm2      0.909 CV     1
 ASSI {   64}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.100     0.500     0.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.11373E-01 ppm1      0.854 ppm2      1.115 CV     1
 ASSI {   65}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.000     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.17226E-01 ppm1      0.865 ppm2      1.064 CV     1
 ASSI {   67}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.29483E-02 ppm1      0.878 ppm2      0.688 CV     1
 ASSI {   68}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23063E-02 ppm1      0.854 ppm2      1.631 CV     1
 ASSI {   74}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      0.800 ppm2      1.439 CV     1
 ASSI {   75}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.300     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.55438E-02 ppm1      0.802 ppm2      1.741 CV     1
 ASSI {   77}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.34801E-02 ppm1      0.800 ppm2      1.931 CV     1
 ASSI {   79}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.15462E-02 ppm1      0.803 ppm2      2.223 CV     1
 ASSI {   80}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      0.857 ppm2      2.336 CV     1
 ASSI {   81}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.83540E-03 ppm1      0.802 ppm2      2.333 CV     1
 ASSI {   82}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.67271E-02 ppm1      0.874 ppm2      2.458 CV     1
 ASSI {   84}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.85370E-03 ppm1      0.800 ppm2      2.772 CV     1
 ASSI {   89}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      0.855 ppm2      3.744 CV     1
 ASSI {   90}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
      5.400     3.600     0.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.55908E-03 ppm1      0.859 ppm2      3.573 CV     1
 ASSI {   91}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.12017E-02 ppm1      0.801 ppm2      3.905 CV     1
 ASSI {   92}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.800     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.28104E-02 ppm1      0.801 ppm2      3.742 CV     1
 ASSI {   95}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.30109E-02 ppm1      0.873 ppm2      4.378 CV     1
 ASSI {  100}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.600     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.25021E-02 ppm1      0.873 ppm2      7.119 CV     1
 ASSI {  101}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.200     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.25621E-02 ppm1      0.874 ppm2      6.965 CV     1
 ASSI {  102}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.14403E-02 ppm1      0.874 ppm2      6.755 CV     1
 ASSI {  103}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.38146E-03 ppm1      0.802 ppm2      7.432 CV     1
 ASSI {  107}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.900     3.000     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.54350E-03 ppm1      0.874 ppm2      8.057 CV     1
 ASSI {  109}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.100     2.200     1.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13608E-02 ppm1      0.802 ppm2      8.288 CV     1
 ASSI {  112}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.800     2.900     1.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.49958E-03 ppm1      0.854 ppm2      8.941 CV     1
 ASSI {  113}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.700     2.700     1.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.25268E-03 ppm1      0.802 ppm2      8.929 CV     1
 ASSI {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.22967E-02 ppm1      0.801 ppm2      0.609 CV     1
 OR {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  115}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      4.800     2.800     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.39390E-03 ppm1      1.536 ppm2      8.939 CV     1
 ASSI {  116}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.93018E-02 ppm1      1.531 ppm2      8.743 CV     1
 ASSI {  117}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.600     1.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.13781E-02 ppm1      0.877 ppm2      8.885 CV     1
 ASSI {  120}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.79366E-03 ppm1      1.531 ppm2      8.318 CV     1
 ASSI {  121}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.47025E-02 ppm1      1.532 ppm2      8.209 CV     1
 ASSI {  123}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.700     1.700     1.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.60568E-03 ppm1      0.879 ppm2      7.435 CV     1
 ASSI {  125}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11362E-01 ppm1      1.531 ppm2      3.955 CV     1
 ASSI {  127}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.38858E-02 ppm1      1.668 ppm2      4.210 CV     1
 ASSI {  129}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.300     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.42053E-02 ppm1      1.022 ppm2      3.568 CV     1
 ASSI {  130}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10277E-02 ppm1      0.879 ppm2      3.892 CV     1
 ASSI {  131}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.57645E-02 ppm1      0.879 ppm2      3.742 CV     1
 ASSI {  133}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      0.879 ppm2      4.914 CV     1
 ASSI {  134}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.47618E-02 ppm1      1.022 ppm2      4.655 CV     1
 ASSI {  135}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.500     2.600     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.32085E-03 ppm1      0.875 ppm2      3.459 CV     1
 ASSI {  136}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.800     2.900     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.60076E-03 ppm1      1.023 ppm2      3.749 CV     1
 ASSI {  137}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.600     2.600     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.68369E-03 ppm1      1.530 ppm2      4.437 CV     1
 ASSI {  139}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.84370E-03 ppm1      1.530 ppm2      2.751 CV     1
 ASSI {  142}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.800     1.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.97607E-03 ppm1      0.878 ppm2      2.139 CV     1
 ASSI {  143}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.28110E-02 ppm1      1.024 ppm2      2.223 CV     1
 ASSI {  145}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.55449E-02 ppm1      0.878 ppm2      1.933 CV     1
 ASSI {  146}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      0.877 ppm2      1.744 CV     1
 ASSI {  150}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   150 spectrum    1 weight  0.10000E+01 volume  0.48477E-02 ppm1      1.021 ppm2      1.515 CV     1
 ASSI {  152}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.16447E-02 ppm1      0.876 ppm2      1.380 CV     1
 ASSI {  153}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      0.876 ppm2      1.292 CV     1
 ASSI {  155}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.50438E-02 ppm1      0.879 ppm2      0.615 CV     1
 OR {  155}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  156}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.48544E-02 ppm1      1.021 ppm2      0.836 CV     1
 ASSI {  159}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      3.700     1.700     1.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.82382E-03 ppm1      1.531 ppm2      0.366 CV     1
 ASSI {  160}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.900     1.900     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.82660E-03 ppm1      0.877 ppm2      1.456 CV     1
 ASSI {  161}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      1.019 ppm2      1.630 CV     1
 ASSI {  163}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      1.057 ppm2      7.557 CV     1
 ASSI {  165}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      5.500     3.800     0.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.24045E-03 ppm1      1.059 ppm2      8.070 CV     1
 ASSI {  166}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.20331E-02 ppm1      1.396 ppm2      8.030 CV     1
 ASSI {  167}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      4.700     2.800     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.39954E-03 ppm1      1.396 ppm2      7.505 CV     1
 ASSI {  169}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.89473E-02 ppm1      1.397 ppm2      8.255 CV     1
 ASSI {  172}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.500     1.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.74657E-03 ppm1      1.524 ppm2      7.784 CV     1
 ASSI {  173}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.78088E-03 ppm1      1.522 ppm2      8.268 CV     1
 ASSI {  174}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.43217E-02 ppm1      1.524 ppm2      8.452 CV     1
 ASSI {  175}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.13179E-01 ppm1      1.605 ppm2      7.959 CV     1
 ASSI {  176}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10862E-01 ppm1      1.629 ppm2      7.592 CV     1
 ASSI {  177}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.80645E-02 ppm1      1.668 ppm2      7.690 CV     1
 ASSI {  178}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      5.000     3.100     1.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.45459E-03 ppm1      1.606 ppm2      7.842 CV     1
 ASSI {  179}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.34836E-02 ppm1      1.605 ppm2      7.760 CV     1
 ASSI {  181}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.43976E-02 ppm1      1.629 ppm2      8.277 CV     1
 ASSI {  183}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      4.600     2.600     1.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.37889E-03 ppm1      1.646 ppm2      8.031 CV     1
 ASSI {  184}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.700     2.700     1.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.50771E-03 ppm1      1.667 ppm2      7.971 CV     1
 ASSI {  185}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.600     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.28391E-02 ppm1      1.525 ppm2      6.972 CV     1
 ASSI {  186}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      5.200     3.400     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.61628E-03 ppm1      1.668 ppm2      6.818 CV     1
 ASSI {  187}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.12258E-02 ppm1      1.524 ppm2      6.754 CV     1
 ASSI {  188}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.200     3.400     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.65643E-03 ppm1      1.058 ppm2      6.974 CV     1
 ASSI {  189}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      4.900     3.000     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.49073E-03 ppm1      1.061 ppm2      6.754 CV     1
 ASSI {  190}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.56236E-02 ppm1      1.060 ppm2      4.669 CV     1
 ASSI {  191}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.92893E-03 ppm1      1.058 ppm2      4.365 CV     1
 ASSI {  193}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10280E-01 ppm1      1.398 ppm2      3.989 CV     1
 ASSI {  194}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.26993E-02 ppm1      1.397 ppm2      4.461 CV     1
 ASSI {  195}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name HB2 ))
      4.100     2.100     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.63453E-03 ppm1      1.397 ppm2      4.343 CV     1
 ASSI {  197}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name HB1 ))
      4.400     2.400     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      1.398 ppm2      4.165 CV     1
 ASSI {  199}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.600     0.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.94843E-02 ppm1      1.525 ppm2      4.317 CV     1
 ASSI {  200}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.30377E-02 ppm1      1.525 ppm2      4.582 CV     1
 ASSI {  201}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.14696E-01 ppm1      1.629 ppm2      4.460 CV     1
 ASSI {  204}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.26983E-02 ppm1      1.605 ppm2      4.023 CV     1
 ASSI {  206}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.13053E-01 ppm1      1.606 ppm2      4.284 CV     1
 ASSI {  207}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.63453E-03 ppm1      1.525 ppm2      4.055 CV     1
 ASSI {  208}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
      4.300     2.300     1.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.75613E-03 ppm1      1.632 ppm2      3.300 CV     1
 ASSI {  209}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.74493E-03 ppm1      1.524 ppm2      3.006 CV     1
 ASSI {  210}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      2.800     2.800     3.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12927E-02 ppm1      1.525 ppm2      2.785 CV     1
 ASSI {  215}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.47652E-02 ppm1      1.062 ppm2      2.454 CV     1
 ASSI {  219}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.16118E-02 ppm1      1.396 ppm2      2.198 CV     1
 ASSI {  221}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      4.700     2.700     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.43618E-03 ppm1      1.519 ppm2      2.204 CV     1
 ASSI {  222}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.32430E-02 ppm1      1.630 ppm2      2.136 CV     1
 ASSI {  225}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      2.600     2.600     3.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.34569E-02 ppm1      1.062 ppm2      1.791 CV     1
 OR {  225}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  226}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.26618E-02 ppm1      1.061 ppm2      1.539 CV     1
 ASSI {  227}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.200     1.300     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.25932E-02 ppm1      1.060 ppm2      1.410 CV     1
 ASSI {  230}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.36548E-02 ppm1      1.395 ppm2      1.033 CV     1
 ASSI {  234}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.57312E-02 ppm1      1.667 ppm2      1.132 CV     1
 ASSI {  236}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.60907E-03 ppm1      1.530 ppm2      0.367 CV     1
 ASSI {  237}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.46271E-03 ppm1      1.520 ppm2      0.203 CV     1
 ASSI {  238}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.69664E-03 ppm1      1.400 ppm2      0.357 CV     1
 ASSI {  240}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.55870E-03 ppm1      1.389 ppm2      0.199 CV     1
 ASSI {  241}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD2%)
      4.400     2.400     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.67195E-03 ppm1      1.668 ppm2      0.621 CV     1
 OR {  241}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  243}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15444E-02 ppm1      1.057 ppm2      0.709 CV     1
 ASSI {  244}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HB1 ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.68675E-03 ppm1      1.522 ppm2      1.877 CV     1
 ASSI {  245}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.29230E-02 ppm1      1.543 ppm2      8.246 CV     1
 ASSI {  247}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10019E-01 ppm1      1.543 ppm2      7.826 CV     1
 ASSI {  248}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.83584E-02 ppm1      1.570 ppm2      7.836 CV     1
 ASSI {  249}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.13472E-02 ppm1      1.569 ppm2      7.964 CV     1
 ASSI {  252}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.12030E-02 ppm1      1.480 ppm2      7.975 CV     1
 ASSI {  254}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.85780E-03 ppm1      1.209 ppm2      7.717 CV     1
 ASSI {  255}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.93018E-03 ppm1      1.210 ppm2      9.150 CV     1
 ASSI {  256}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      5.500     3.800     0.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.35576E-03 ppm1      0.917 ppm2      8.949 CV     1
 ASSI {  257}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      0.918 ppm2      8.479 CV     1
 ASSI {  259}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.54173E-03 ppm1      0.918 ppm2      8.150 CV     1
 ASSI {  261}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      4.500     2.600     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.52348E-03 ppm1      0.920 ppm2      7.592 CV     1
 ASSI {  265}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.300     1.300     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      1.208 ppm2      7.121 CV     1
 ASSI {  266}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      1.544 ppm2      6.972 CV     1
 ASSI {  267}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      1.543 ppm2      6.754 CV     1
 ASSI {  268}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.42530E-03 ppm1      1.210 ppm2      5.270 CV     1
 ASSI {  269}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1      0.918 ppm2      4.677 CV     1
 ASSI {  270}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.400     1.400 peak   270 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      0.919 ppm2      4.228 CV     1
 ASSI {  273}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.20556E-02 ppm1      1.209 ppm2      4.306 CV     1
 ASSI {  274}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.19001E-02 ppm1      1.209 ppm2      4.472 CV     1
 ASSI {  275}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.19310E-02 ppm1      1.209 ppm2      3.991 CV     1
 ASSI {  277}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.300     1.400     1.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.11571E-02 ppm1      0.919 ppm2      3.458 CV     1
 ASSI {  280}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.35435E-02 ppm1      1.543 ppm2      3.938 CV     1
 ASSI {  281}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.58099E-02 ppm1      1.647 ppm2      4.281 CV     1
 ASSI {  283}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13014E-01 ppm1      1.543 ppm2      4.366 CV     1
 ASSI {  284}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.95143E-02 ppm1      1.570 ppm2      4.474 CV     1
 ASSI {  285}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   285 spectrum    1 weight  0.10000E+01 volume  0.17135E-02 ppm1      1.476 ppm2      4.225 CV     1
 ASSI {  286}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.68282E-03 ppm1      1.544 ppm2      4.568 CV     1
 ASSI {  288}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      4.300     2.300     1.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.90789E-03 ppm1      0.919 ppm2      2.481 CV     1
 ASSI {  289}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.21729E-02 ppm1      0.919 ppm2      2.340 CV     1
 OR {  289}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  290}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.88653E-02 ppm1      0.919 ppm2      2.138 CV     1
 ASSI {  296}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.36321E-02 ppm1      1.209 ppm2      1.702 CV     1
 ASSI {  298}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.400     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.13850E-02 ppm1      0.918 ppm2      1.829 CV     1
 ASSI {  299}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.52571E-02 ppm1      0.919 ppm2      1.622 CV     1
 ASSI {  304}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 68   and name HG1%)
      2.200     0.600     0.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.11590E-01 ppm1      1.210 ppm2      1.096 CV     1
 ASSI {  307}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.35810E-02 ppm1      1.210 ppm2      0.365 CV     1
 ASSI {  308}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.500     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.30455E-02 ppm1      1.210 ppm2      0.202 CV     1
 ASSI {  311}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      3.200     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.50469E-03 ppm1      1.122 ppm2      0.371 CV     1
 ASSI {  312}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      3.300     3.300     2.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.42367E-03 ppm1      1.118 ppm2      0.191 CV     1
 ASSI {  313}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD2%)
      3.300     1.400     1.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.60546E-02 ppm1      1.123 ppm2      1.013 CV     1
 ASSI {  315}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.78443E-02 ppm1      1.123 ppm2      0.866 CV     1
 ASSI {  316}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.72658E-02 ppm1      1.124 ppm2      0.761 CV     1
 ASSI {  321}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.99525E-02 ppm1      1.038 ppm2      2.275 CV     1
 ASSI {  322}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.600     0.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.76405E-02 ppm1      0.971 ppm2      2.223 CV     1
 ASSI {  323}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.78175E-02 ppm1      0.970 ppm2      2.139 CV     1
 ASSI {  327}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.34640E-02 ppm1      0.971 ppm2      3.805 CV     1
 ASSI {  331}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.65692E-02 ppm1      1.038 ppm2      3.936 CV     1
 ASSI {  334}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      3.500     3.500     2.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.28167E-03 ppm1      1.129 ppm2      6.960 CV     1
 ASSI {  336}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.67178E-03 ppm1      1.124 ppm2      6.763 CV     1
 ASSI {  341}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.19490E-02 ppm1      1.123 ppm2      8.742 CV     1
 ASSI {  345}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.72335E-03 ppm1      1.077 ppm2      9.156 CV     1
 ASSI {  346}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.600     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.70811E-03 ppm1      1.075 ppm2      8.999 CV     1
 ASSI {  347}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.77247E-03 ppm1      1.063 ppm2      8.738 CV     1
 OR {  347}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  348}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.86752E-02 ppm1      1.116 ppm2      8.469 CV     1
 ASSI {  351}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      4.100     2.100     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1      0.954 ppm2      8.480 CV     1
 ASSI {  353}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12866E-02 ppm1      0.972 ppm2      8.483 CV     1
 ASSI {  354}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.22255E-02 ppm1      1.115 ppm2      8.221 CV     1
 ASSI {  356}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.19162E-02 ppm1      1.414 ppm2      8.835 CV     1
 ASSI {  357}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.57755E-02 ppm1      1.414 ppm2      9.050 CV     1
 ASSI {  362}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      2.500     2.500     3.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.21942E-02 ppm1      1.279 ppm2      8.608 CV     1
 ASSI {  363}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.000     1.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.46994E-03 ppm1      1.415 ppm2      7.889 CV     1
 ASSI {  364}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.61896E-03 ppm1      1.415 ppm2      8.248 CV     1
 ASSI {  368}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HE  ))
      4.900     3.000     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.24445E-03 ppm1      1.079 ppm2      8.019 CV     1
 ASSI {  369}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.800     2.900     1.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.40858E-03 ppm1      1.076 ppm2      7.836 CV     1
 ASSI {  370}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.84643E-03 ppm1      1.062 ppm2      7.724 CV     1
 OR {  370}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  376}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      4.100     2.100     1.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.34846E-03 ppm1      1.377 ppm2      6.823 CV     1
 ASSI {  379}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.23000E-02 ppm1      0.970 ppm2      7.462 CV     1
 ASSI {  380}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.47197E-02 ppm1      1.022 ppm2      7.392 CV     1
 ASSI {  381}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.25684E-02 ppm1      1.077 ppm2      7.473 CV     1
 ASSI {  382}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.200     1.200 peak   382 spectrum    1 weight  0.10000E+01 volume  0.55788E-03 ppm1      1.077 ppm2      5.267 CV     1
 ASSI {  383}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   383 spectrum    1 weight  0.10000E+01 volume  0.22975E-02 ppm1      1.076 ppm2      5.047 CV     1
 ASSI {  384}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.41686E-02 ppm1      1.077 ppm2      4.944 CV     1
 ASSI {  385}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.45642E-02 ppm1      1.076 ppm2      4.732 CV     1
 ASSI {  386}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.64720E-02 ppm1      1.076 ppm2      4.626 CV     1
 ASSI {  387}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10143E-01 ppm1      1.414 ppm2      4.851 CV     1
 ASSI {  388}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.21439E-02 ppm1      1.414 ppm2      4.527 CV     1
 ASSI {  391}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.53012E-02 ppm1      1.279 ppm2      4.334 CV     1
 ASSI {  392}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.300     0.700     0.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.90369E-02 ppm1      1.279 ppm2      4.227 CV     1
 ASSI {  393}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.46692E-02 ppm1      1.243 ppm2      4.512 CV     1
 ASSI {  394}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.92450E-02 ppm1      1.243 ppm2      4.374 CV     1
 ASSI {  395}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.87195E-03 ppm1      1.280 ppm2      4.695 CV     1
 ASSI {  397}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
      3.200     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.53206E-03 ppm1      1.279 ppm2      4.074 CV     1
 OR {  397}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  398}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
      4.000     2.000     2.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.57476E-03 ppm1      1.248 ppm2      4.053 CV     1
 OR {  398}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  402}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.79159E-02 ppm1      1.115 ppm2      3.936 CV     1
 ASSI {  403}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.90959E-02 ppm1      1.063 ppm2      4.309 CV     1
 OR {  403}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  404}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.37110E-03 ppm1      1.075 ppm2      4.326 CV     1
 ASSI {  405}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.76804E-02 ppm1      0.955 ppm2      4.317 CV     1
 ASSI {  408}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      0.972 ppm2      4.218 CV     1
 ASSI {  409}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.12904E-02 ppm1      0.971 ppm2      4.102 CV     1
 ASSI {  410}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.700     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.61431E-03 ppm1      0.953 ppm2      4.745 CV     1
 ASSI {  413}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.49054E-02 ppm1      0.971 ppm2      4.678 CV     1
 ASSI {  416}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      4.200     2.200     1.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      1.076 ppm2      4.030 CV     1
 ASSI {  417}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      3.900     1.900     1.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      0.972 ppm2      3.457 CV     1
 ASSI {  419}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      3.500     1.500     1.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.15807E-02 ppm1      1.023 ppm2      3.563 CV     1
 ASSI {  420}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.200     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.50996E-03 ppm1      1.076 ppm2      3.452 CV     1
 ASSI {  422}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.57044E-03 ppm1      1.116 ppm2      3.517 CV     1
 ASSI {  423}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      5.200     3.400     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.51683E-03 ppm1      1.417 ppm2      3.039 CV     1
 ASSI {  426}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.28174E-02 ppm1      1.077 ppm2      3.013 CV     1
 ASSI {  427}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      1.076 ppm2      2.873 CV     1
 ASSI {  429}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.58000E-03 ppm1      0.953 ppm2      3.024 CV     1
 ASSI {  431}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HG1 ))
      4.300     2.300     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.48245E-03 ppm1      1.077 ppm2      2.640 CV     1
 ASSI {  432}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      1.061 ppm2      2.418 CV     1
 OR {  432}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  435}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HG2 ))
      4.600     2.600     1.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.58099E-03 ppm1      1.078 ppm2      2.470 CV     1
 OR {  435}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  437}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.71554E-03 ppm1      1.282 ppm2      2.460 CV     1
 ASSI {  440}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      3.800     1.800     1.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.14457E-02 ppm1      1.075 ppm2      1.935 CV     1
 ASSI {  442}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      1.021 ppm2      2.086 CV     1
 ASSI {  443}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.77563E-02 ppm1      0.954 ppm2      1.777 CV     1
 OR {  443}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  444}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HG  ))
      3.900     1.900     1.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.55996E-03 ppm1      0.972 ppm2      1.858 CV     1
 ASSI {  445}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.95515E-03 ppm1      1.064 ppm2      2.028 CV     1
 OR {  445}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  446}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.12464E-01 ppm1      1.063 ppm2      1.704 CV     1
 OR {  446}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  447}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.21790E-02 ppm1      1.076 ppm2      1.613 CV     1
 ASSI {  448}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.39291E-02 ppm1      0.971 ppm2      1.628 CV     1
 ASSI {  449}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.41077E-02 ppm1      0.954 ppm2      1.413 CV     1
 ASSI {  455}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.200     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17781E-02 ppm1      1.279 ppm2      0.702 CV     1
 ASSI {  458}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.62835E-03 ppm1      1.062 ppm2      0.203 CV     1
 OR {  458}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  460}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.900     1.900     1.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.93778E-03 ppm1      1.115 ppm2      0.700 CV     1
 ASSI {  463}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.24538E-02 ppm1      1.385 ppm2      8.836 CV     1
 ASSI {  467}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.17169E-02 ppm1      1.124 ppm2      9.148 CV     1
 ASSI {  468}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.500     1.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.53646E-03 ppm1      1.038 ppm2      8.840 CV     1
 ASSI {  469}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.85518E-03 ppm1      1.043 ppm2      8.741 CV     1
 ASSI {  470}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      1.039 ppm2      8.418 CV     1
 ASSI {  471}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      0.984 ppm2      8.279 CV     1
 ASSI {  474}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.10380E-02 ppm1      0.884 ppm2      8.145 CV     1
 ASSI {  475}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.900     1.900     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.10074E-02 ppm1      0.883 ppm2      7.961 CV     1
 ASSI {  479}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.57514E-03 ppm1      0.693 ppm2      8.237 CV     1
 ASSI {  481}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.40114E-03 ppm1      0.363 ppm2      8.235 CV     1
 ASSI {  483}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.300     1.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.94275E-03 ppm1      0.200 ppm2      8.451 CV     1
 ASSI {  485}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11355E-02 ppm1      0.363 ppm2      8.448 CV     1
 ASSI {  487}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.16282E-02 ppm1      0.883 ppm2      9.427 CV     1
 ASSI {  488}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.39521E-02 ppm1      1.383 ppm2      7.328 CV     1
 OR {  488}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  489}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      3.300     1.300     1.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.48465E-02 ppm1      1.384 ppm2      7.213 CV     1
 ASSI {  491}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.32879E-02 ppm1      1.123 ppm2      7.292 CV     1
 ASSI {  492}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.89740E-03 ppm1      0.985 ppm2      7.444 CV     1
 ASSI {  494}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      4.500     2.500     1.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.68183E-03 ppm1      1.042 ppm2      7.328 CV     1
 OR {  494}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  495}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.64578E-03 ppm1      1.042 ppm2      7.216 CV     1
 ASSI {  497}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.14642E-02 ppm1      1.122 ppm2      7.718 CV     1
 ASSI {  498}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.300     2.400     1.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.55198E-03 ppm1      0.885 ppm2      7.670 CV     1
 ASSI {  499}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.300     2.300     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.55427E-03 ppm1      0.884 ppm2      7.336 CV     1
 ASSI {  500}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.800     2.900     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.59923E-03 ppm1      1.123 ppm2      7.118 CV     1
 ASSI {  501}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.16135E-02 ppm1      1.123 ppm2      6.924 CV     1
 OR {  501}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  502}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.800     1.000     1.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.27713E-02 ppm1      0.758 ppm2      6.936 CV     1
 ASSI {  505}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.24679E-02 ppm1      0.693 ppm2      7.310 CV     1
 ASSI {  508}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.300     1.300     1.300 peak   508 spectrum    1 weight  0.10000E+01 volume  0.14499E-02 ppm1      0.457 ppm2      7.325 CV     1
 OR {  508}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  510}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
      5.200     3.400     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.37342E-03 ppm1      0.460 ppm2      6.915 CV     1
 OR {  510}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
 OR {  510}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 OR {  510}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  513}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      0.364 ppm2      7.124 CV     1
 ASSI {  514}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.14283E-02 ppm1      0.365 ppm2      6.928 CV     1
 OR {  514}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  516}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12078E-02 ppm1      0.199 ppm2      7.120 CV     1
 ASSI {  518}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      4.100     2.100     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.65097E-03 ppm1      1.043 ppm2      6.925 CV     1
 OR {  518}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  519}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.400     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.50636E-02 ppm1      1.036 ppm2      6.814 CV     1
 ASSI {  521}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak   521 spectrum    1 weight  0.10000E+01 volume  0.16863E-02 ppm1      0.757 ppm2      6.754 CV     1
 ASSI {  522}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.76946E-03 ppm1      0.692 ppm2      6.756 CV     1
 ASSI {  523}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.300     2.300     1.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.33073E-03 ppm1      0.365 ppm2      6.762 CV     1
 ASSI {  525}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.55635E-02 ppm1      1.384 ppm2      3.868 CV     1
 ASSI {  526}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.300     0.600     0.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.79049E-02 ppm1      1.384 ppm2      4.319 CV     1
 ASSI {  531}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.14980E-02 ppm1      1.125 ppm2      3.992 CV     1
 ASSI {  532}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.66129E-02 ppm1      1.123 ppm2      4.478 CV     1
 ASSI {  533}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.48114E-02 ppm1      1.123 ppm2      4.306 CV     1
 ASSI {  534}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.10042E-01 ppm1      0.984 ppm2      4.219 CV     1
 ASSI {  535}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.88937E-02 ppm1      1.036 ppm2      4.313 CV     1
 ASSI {  538}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.200     3.200     2.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.49204E-03 ppm1      0.986 ppm2      4.906 CV     1
 ASSI {  540}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      0.884 ppm2      4.910 CV     1
 ASSI {  541}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   541 spectrum    1 weight  0.10000E+01 volume  0.84780E-02 ppm1      0.884 ppm2      4.362 CV     1
 ASSI {  543}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.86545E-02 ppm1      0.693 ppm2      4.365 CV     1
 ASSI {  544}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.800     1.000     1.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.21526E-02 ppm1      0.985 ppm2      3.449 CV     1
 ASSI {  545}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.36947E-02 ppm1      0.364 ppm2      3.901 CV     1
 ASSI {  548}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.76919E-03 ppm1      0.366 ppm2      3.598 CV     1
 ASSI {  549}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.89254E-03 ppm1      0.199 ppm2      3.991 CV     1
 ASSI {  551}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.55121E-03 ppm1      0.201 ppm2      3.600 CV     1
 ASSI {  554}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA1 ))
      5.100     3.300     0.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.51388E-03 ppm1      0.200 ppm2      4.145 CV     1
 ASSI {  560}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.31696E-03 ppm1      0.756 ppm2      3.519 CV     1
 ASSI {  561}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.37320E-03 ppm1      0.693 ppm2      3.511 CV     1
 ASSI {  562}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.500     2.600     1.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.49089E-03 ppm1      0.693 ppm2      4.732 CV     1
 ASSI {  563}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      0.886 ppm2      3.091 CV     1
 ASSI {  564}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.22551E-02 ppm1      0.884 ppm2      2.771 CV     1
 ASSI {  565}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.21610E-02 ppm1      0.693 ppm2      3.295 CV     1
 ASSI {  566}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      0.694 ppm2      3.014 CV     1
 ASSI {  567}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.76356E-02 ppm1      0.457 ppm2      3.307 CV     1
 ASSI {  570}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.48511E-03 ppm1      0.365 ppm2      3.093 CV     1
 ASSI {  571}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      3.600     1.700     1.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.45556E-03 ppm1      0.365 ppm2      3.018 CV     1
 ASSI {  574}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.98153E-03 ppm1      0.986 ppm2      2.795 CV     1
 ASSI {  577}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
      5.200     3.300     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.34504E-03 ppm1      0.366 ppm2      2.395 CV     1
 ASSI {  578}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.800     2.900     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.53565E-03 ppm1      0.201 ppm2      2.399 CV     1
 ASSI {  579}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.700     1.700     1.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.18745E-02 ppm1      0.457 ppm2      2.229 CV     1
 ASSI {  580}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.000     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.30725E-02 ppm1      0.457 ppm2      2.016 CV     1
 ASSI {  584}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.600     1.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.12901E-02 ppm1      0.458 ppm2      1.519 CV     1
 ASSI {  585}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.40510E-02 ppm1      0.200 ppm2      1.554 CV     1
 ASSI {  586}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak   586 spectrum    1 weight  0.10000E+01 volume  0.33448E-02 ppm1      0.757 ppm2      1.982 CV     1
 ASSI {  587}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.49212E-02 ppm1      0.757 ppm2      1.872 CV     1
 ASSI {  588}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.400     0.700     0.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.65326E-02 ppm1      0.692 ppm2      1.575 CV     1
 ASSI {  591}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   591 spectrum    1 weight  0.10000E+01 volume  0.80781E-03 ppm1      0.694 ppm2      2.454 CV     1
 ASSI {  592}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.24246E-02 ppm1      0.885 ppm2      2.005 CV     1
 ASSI {  593}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.23622E-02 ppm1      0.986 ppm2      2.017 CV     1
 ASSI {  594}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.67714E-02 ppm1      0.984 ppm2      1.842 CV     1
 ASSI {  596}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.10510E-01 ppm1      1.123 ppm2      2.406 CV     1
 ASSI {  597}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.32271E-02 ppm1      1.124 ppm2      1.703 CV     1
 ASSI {  598}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.64043E-02 ppm1      1.037 ppm2      2.033 CV     1
 ASSI {  599}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10114E-01 ppm1      1.044 ppm2      1.890 CV     1
 ASSI {  600}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.33636E-02 ppm1      1.042 ppm2      2.327 CV     1
 ASSI {  601}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.34988E-02 ppm1      1.039 ppm2      2.228 CV     1
 ASSI {  602}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      5.200     3.400     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.30411E-03 ppm1      0.882 ppm2      1.848 CV     1
 ASSI {  603}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.67085E-02 ppm1      0.884 ppm2      1.709 CV     1
 ASSI {  604}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.69631E-02 ppm1      0.884 ppm2      1.608 CV     1
 ASSI {  605}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.45381E-02 ppm1      0.884 ppm2      1.475 CV     1
 ASSI {  606}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      3.600     1.600     1.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.92494E-03 ppm1      0.757 ppm2      1.668 CV     1
 ASSI {  608}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.41868E-02 ppm1      0.757 ppm2      1.432 CV     1
 ASSI {  611}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.40990E-02 ppm1      1.039 ppm2      1.446 CV     1
 ASSI {  612}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.69391E-02 ppm1      0.984 ppm2      1.566 CV     1
 ASSI {  615}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD2%)
      2.900     1.100     1.100 peak   615 spectrum    1 weight  0.10000E+01 volume  0.26410E-02 ppm1      1.383 ppm2      0.872 CV     1
 ASSI {  622}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.45687E-02 ppm1      1.384 ppm2      0.456 CV     1
 ASSI {  624}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.300     2.400     1.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.91685E-03 ppm1      1.121 ppm2      0.364 CV     1
 ASSI {  625}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.55100E-03 ppm1      0.757 ppm2      0.365 CV     1
 ASSI {  627}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.700     1.300 peak   627 spectrum    1 weight  0.10000E+01 volume  0.70806E-03 ppm1      1.124 ppm2      0.202 CV     1
 ASSI {  628}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12192E-02 ppm1      0.756 ppm2      0.204 CV     1
 ASSI {  633}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.55253E-02 ppm1      0.364 ppm2      1.358 CV     1
 ASSI {  635}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD1%)
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.22546E-02 ppm1      0.363 ppm2      1.088 CV     1
 OR {  635}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  636}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.600     0.900     0.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.31313E-02 ppm1      0.364 ppm2      0.983 CV     1
 ASSI {  637}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.47301E-02 ppm1      0.200 ppm2      1.359 CV     1
 ASSI {  643}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.50338E-02 ppm1      0.457 ppm2      1.195 CV     1
 ASSI {  644}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.30996E-02 ppm1      0.456 ppm2      1.030 CV     1
 ASSI {  646}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.300     0.600     0.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.11222E-01 ppm1      0.457 ppm2      0.787 CV     1
 ASSI {  647}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.56739E-02 ppm1      0.692 ppm2      1.258 CV     1
 ASSI {  652}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.73723E-03 ppm1      0.793 ppm2      8.737 CV     1
 ASSI {  653}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      5.100     3.200     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.26665E-03 ppm1      0.593 ppm2      9.423 CV     1
 ASSI {  655}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.900     2.900     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.67927E-03 ppm1      1.063 ppm2      7.779 CV     1
 ASSI {  656}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.700     1.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.77547E-03 ppm1      1.009 ppm2      7.775 CV     1
 ASSI {  658}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      2.600     0.800     0.800 peak   658 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      0.795 ppm2      7.675 CV     1
 ASSI {  659}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.400     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.31076E-02 ppm1      0.795 ppm2      7.332 CV     1
 ASSI {  662}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.52659E-03 ppm1      0.600 ppm2      9.044 CV     1
 ASSI {  666}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.44844E-02 ppm1      0.956 ppm2      4.278 CV     1
 OR {  666}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  669}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.60475E-03 ppm1      0.795 ppm2      4.522 CV     1
 ASSI {  671}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.78006E-02 ppm1      0.795 ppm2      3.890 CV     1
 ASSI {  672}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28A))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.48782E-03 ppm1      1.011 ppm2      3.480 CV     1
 ASSI {  673}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.300     1.400     1.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      0.796 ppm2      2.326 CV     1
 ASSI {  674}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.16219E-02 ppm1      0.796 ppm2      2.194 CV     1
 ASSI {  675}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 47   and name HG1 ))
      4.300     2.400     1.700 peak   675 spectrum    1 weight  0.10000E+01 volume  0.41505E-03 ppm1      1.064 ppm2      2.618 CV     1
 ASSI {  680}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.30156E-02 ppm1      1.062 ppm2      1.881 CV     1
 ASSI {  681}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      3.200     1.300     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.31639E-02 ppm1      1.010 ppm2      1.883 CV     1
 ASSI {  682}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.600     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.40211E-02 ppm1      1.011 ppm2      1.836 CV     1
 ASSI {  683}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.900     1.000     1.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.22504E-02 ppm1      1.062 ppm2      1.735 CV     1
 ASSI {  684}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.700     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.30320E-02 ppm1      1.008 ppm2      1.738 CV     1
 ASSI {  687}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.800     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.28082E-02 ppm1      0.951 ppm2      1.927 CV     1
 OR {  687}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  691}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
      2.700     0.900     0.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.47207E-02 ppm1      0.639 ppm2      0.999 CV     1
 OR {  691}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  694}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.55034E-02 ppm1      0.638 ppm2      0.841 CV     1
 ASSI {  697}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.38131E-02 ppm1      0.873 ppm2      0.452 CV     1
 ASSI {  699}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
      2.300     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.87069E-02 ppm1      1.581 ppm2      0.799 CV     1
 ASSI {  701}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      2.000     0.500     0.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.18026E-01 ppm1      1.694 ppm2      0.873 CV     1
 ASSI {  708}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11058E-01 ppm1      2.046 ppm2      0.861 CV     1
 ASSI {  709}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.26354E-02 ppm1      1.694 ppm2      2.192 CV     1
 ASSI {  710}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak   710 spectrum    1 weight  0.10000E+01 volume  0.33418E-02 ppm1      0.798 ppm2      1.227 CV     1
 ASSI {  711}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 15   and name HG2%)
      2.700     0.900     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.30153E-02 ppm1      0.796 ppm2      1.130 CV     1
 ASSI {  713}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.400     1.400 peak   713 spectrum    1 weight  0.10000E+01 volume  0.31419E-02 ppm1      1.063 ppm2      1.410 CV     1
 ASSI {  714}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.600     0.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.44170E-02 ppm1      0.979 ppm2      1.704 CV     1
 ASSI {  716}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.600     0.800     0.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.38224E-02 ppm1      0.983 ppm2      1.846 CV     1
 ASSI {  717}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.69227E-02 ppm1      1.062 ppm2      1.777 CV     1
 OR {  717}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  720}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.800     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.36458E-02 ppm1      0.985 ppm2      2.006 CV     1
 ASSI {  723}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.46551E-02 ppm1      0.861 ppm2      1.436 CV     1
 ASSI {  729}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.46739E-02 ppm1      0.632 ppm2      1.572 CV     1
 OR {  729}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  730}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.300     0.600     0.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.93231E-02 ppm1      0.597 ppm2      1.568 CV     1
 OR {  730}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  731}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak   731 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      0.636 ppm2      1.376 CV     1
 ASSI {  732}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.31869E-02 ppm1      0.597 ppm2      1.374 CV     1
 ASSI {  733}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.34888E-02 ppm1      0.980 ppm2      2.427 CV     1
 ASSI {  734}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   734 spectrum    1 weight  0.10000E+01 volume  0.18507E-02 ppm1      0.639 ppm2      2.699 CV     1
 ASSI {  736}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak   736 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      0.598 ppm2      1.924 CV     1
 ASSI {  741}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
      3.600     1.700     1.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.77618E-03 ppm1      0.636 ppm2      1.934 CV     1
 ASSI {  742}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      0.798 ppm2      1.992 CV     1
 ASSI {  743}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.19517E-02 ppm1      1.064 ppm2      3.294 CV     1
 ASSI {  745}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.19474E-02 ppm1      0.639 ppm2      3.035 CV     1
 ASSI {  746}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      3.600     1.600     1.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.88790E-03 ppm1      0.600 ppm2      3.033 CV     1
 ASSI {  748}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.82529E-03 ppm1      0.601 ppm2      2.693 CV     1
 ASSI {  750}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.21005E-02 ppm1      0.638 ppm2      4.532 CV     1
 ASSI {  752}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.500     1.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.44208E-03 ppm1      0.640 ppm2      4.356 CV     1
 ASSI {  754}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.68648E-03 ppm1      0.597 ppm2      4.218 CV     1
 ASSI {  756}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.81229E-03 ppm1      0.872 ppm2      4.488 CV     1
 ASSI {  758}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.800     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.21387E-02 ppm1      0.862 ppm2      4.311 CV     1
 ASSI {  760}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.33645E-02 ppm1      0.861 ppm2      3.948 CV     1
 ASSI {  762}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      0.873 ppm2      3.609 CV     1
 ASSI {  764}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.32393E-02 ppm1      0.984 ppm2      4.361 CV     1
 ASSI {  766}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.26064E-02 ppm1      0.984 ppm2      4.910 CV     1
 ASSI {  768}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17149E-02 ppm1      0.800 ppm2      4.368 CV     1
 ASSI {  771}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.38987E-03 ppm1      0.594 ppm2      8.062 CV     1
 ASSI {  772}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.95739E-03 ppm1      0.639 ppm2      7.434 CV     1
 ASSI {  773}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.88921E-03 ppm1      0.598 ppm2      7.434 CV     1
 ASSI {  774}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      3.200     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      0.640 ppm2      6.813 CV     1
 ASSI {  775}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.400     1.400     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      0.597 ppm2      6.813 CV     1
 ASSI {  776}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      5.100     3.200     0.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.23138E-03 ppm1      0.639 ppm2      7.321 CV     1
 ASSI {  777}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.800     2.800     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.34139E-03 ppm1      0.597 ppm2      7.321 CV     1
 ASSI {  778}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   778 spectrum    1 weight  0.10000E+01 volume  0.67260E-03 ppm1      0.800 ppm2      6.755 CV     1
 ASSI {  779}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
      3.600     1.600     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      0.780 ppm2      6.902 CV     1
 OR {  779}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
 OR {  779}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  779}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  783}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.68806E-03 ppm1      1.695 ppm2      8.722 CV     1
 ASSI {  784}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.11025E-02 ppm1      0.983 ppm2      8.278 CV     1
 ASSI {  785}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   785 spectrum    1 weight  0.10000E+01 volume  0.18743E-02 ppm1      0.799 ppm2      8.466 CV     1
 ASSI {  786}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.22933E-02 ppm1      0.860 ppm2      8.422 CV     1
 ASSI {  789}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   789 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      0.983 ppm2      9.426 CV     1
 ASSI {  790}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.800     2.900     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.45871E-03 ppm1      0.983 ppm2      8.740 CV     1
 ASSI {  791}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      5.200     3.400     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.58771E-03 ppm1      1.066 ppm2      7.314 CV     1
 ASSI {  792}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11436E-02 ppm1      1.062 ppm2      7.213 CV     1
 ASSI {  793}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.41004E-03 ppm1      1.064 ppm2      8.468 CV     1
 ASSI {  794}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.400     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.38550E-03 ppm1      1.064 ppm2      8.054 CV     1
 ASSI {  795}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.600     2.600     1.400 peak   795 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      0.861 ppm2      7.435 CV     1
 ASSI {  797}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      4.500     2.500     1.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.44333E-03 ppm1      0.862 ppm2      6.815 CV     1
 ASSI {  804}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.800     1.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.28392E-03 ppm1      0.636 ppm2      3.454 CV     1
 ASSI {  809}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.900     3.000     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.75416E-03 ppm1      2.130 ppm2      7.396 CV     1
 OR {  809}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  810}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.100     2.100     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.55914E-03 ppm1      1.894 ppm2      7.333 CV     1
 OR {  810}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  811}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
      3.400     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.90150E-03 ppm1      1.893 ppm2      7.217 CV     1
 ASSI {  812}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      3.300     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.23319E-02 ppm1      2.188 ppm2      7.309 CV     1
 ASSI {  813}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.400     2.400     1.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.80994E-03 ppm1      2.188 ppm2      7.212 CV     1
 ASSI {  814}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.84376E-03 ppm1      2.187 ppm2      6.919 CV     1
 OR {  814}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  815}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.400     2.400     1.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.50080E-03 ppm1      1.826 ppm2      7.114 CV     1
 ASSI {  817}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.25687E-02 ppm1      1.781 ppm2      7.212 CV     1
 ASSI {  820}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE  ))
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.78405E-03 ppm1      1.746 ppm2      7.411 CV     1
 OR {  820}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI {  827}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.31143E-02 ppm1      2.044 ppm2      8.423 CV     1
 ASSI {  828}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.300     3.400     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.48986E-03 ppm1      2.131 ppm2      8.823 CV     1
 OR {  828}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  829}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.600     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.37509E-03 ppm1      2.134 ppm2      8.601 CV     1
 OR {  829}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  830}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak   830 spectrum    1 weight  0.10000E+01 volume  0.12672E-02 ppm1      1.560 ppm2      9.425 CV     1
 ASSI {  831}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      5.000     3.100     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.64381E-03 ppm1      1.711 ppm2      9.425 CV     1
 ASSI {  832}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      1.501 ppm2      8.298 CV     1
 ASSI {  834}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      1.357 ppm2      8.451 CV     1
 ASSI {  835}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak   835 spectrum    1 weight  0.10000E+01 volume  0.52068E-03 ppm1      1.354 ppm2      8.247 CV     1
 ASSI {  837}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      1.127 ppm2      8.739 CV     1
 ASSI {  838}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.600     2.600     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.83076E-03 ppm1      1.129 ppm2      8.059 CV     1
 ASSI {  841}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.18148E-02 ppm1      0.893 ppm2      8.405 CV     1
 ASSI {  842}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   842 spectrum    1 weight  0.10000E+01 volume  0.35271E-02 ppm1      1.201 ppm2      7.518 CV     1
 ASSI {  845}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.600     2.600     1.400 peak   845 spectrum    1 weight  0.10000E+01 volume  0.83381E-03 ppm1      1.539 ppm2      6.969 CV     1
 ASSI {  846}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.100     2.100     1.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      1.329 ppm2      6.920 CV     1
 OR {  846}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  847}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   847 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      1.318 ppm2      7.312 CV     1
 ASSI {  848}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.51957E-03 ppm1      1.322 ppm2      7.209 CV     1
 ASSI {  850}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.300     1.300 peak   850 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      1.127 ppm2      7.334 CV     1
 OR {  850}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  851}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.20868E-02 ppm1      1.127 ppm2      7.214 CV     1
 ASSI {  852}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      3.400     1.400     1.400 peak   852 spectrum    1 weight  0.10000E+01 volume  0.87402E-03 ppm1      1.162 ppm2      7.323 CV     1
 ASSI {  853}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      2.900     1.100     1.100 peak   853 spectrum    1 weight  0.10000E+01 volume  0.18098E-02 ppm1      0.895 ppm2      6.923 CV     1
 OR {  853}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  854}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.100     1.100 peak   854 spectrum    1 weight  0.10000E+01 volume  0.24550E-02 ppm1      0.895 ppm2      7.212 CV     1
 ASSI {  855}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.300     0.600     0.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.65130E-02 ppm1      2.133 ppm2      4.012 CV     1
 OR {  855}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  856}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak   856 spectrum    1 weight  0.10000E+01 volume  0.13942E-02 ppm1      2.043 ppm2      4.307 CV     1
 ASSI {  857}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.80202E-03 ppm1      2.184 ppm2      4.224 CV     1
 ASSI {  859}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   859 spectrum    1 weight  0.10000E+01 volume  0.81978E-03 ppm1      2.043 ppm2      3.954 CV     1
 ASSI {  860}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.13553E-02 ppm1      2.133 ppm2      4.653 CV     1
 OR {  860}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  863}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   863 spectrum    1 weight  0.10000E+01 volume  0.19166E-02 ppm1      1.713 ppm2      4.359 CV     1
 ASSI {  864}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.12816E-02 ppm1      1.735 ppm2      4.285 CV     1
 ASSI {  868}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   868 spectrum    1 weight  0.10000E+01 volume  0.25129E-02 ppm1      1.825 ppm2      4.268 CV     1
 ASSI {  869}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.800     1.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.78088E-03 ppm1      1.826 ppm2      4.667 CV     1
 ASSI {  870}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.31593E-02 ppm1      1.749 ppm2      4.625 CV     1
 OR {  870}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  871}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.38750E-03 ppm1      1.840 ppm2      4.902 CV     1
 ASSI {  872}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      1.780 ppm2      4.747 CV     1
 ASSI {  873}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   873 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      1.561 ppm2      4.525 CV     1
 ASSI {  875}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.400     1.400 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11913E-02 ppm1      1.504 ppm2      4.657 CV     1
 ASSI {  880}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD1 ))
      3.000     1.100     1.100 peak   880 spectrum    1 weight  0.10000E+01 volume  0.15836E-02 ppm1      1.326 ppm2      4.035 CV     1
 ASSI {  884}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.17081E-02 ppm1      1.112 ppm2      4.655 CV     1
 ASSI {  894}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak   894 spectrum    1 weight  0.10000E+01 volume  0.18416E-02 ppm1      1.158 ppm2      3.203 CV     1
 OR {  894}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  896}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   896 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      1.400 ppm2      3.522 CV     1
 ASSI {  897}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.29931E-02 ppm1      1.402 ppm2      3.203 CV     1
 OR {  897}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  902}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.500     0.800     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.18259E-02 ppm1      1.327 ppm2      2.802 CV     1
 ASSI {  903}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.500     1.500     1.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      1.655 ppm2      3.027 CV     1
 ASSI {  905}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.15274E-02 ppm1      1.516 ppm2      3.609 CV     1
 ASSI {  907}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.16674E-02 ppm1      1.653 ppm2      3.609 CV     1
 ASSI {  908}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD1 ))
      2.800     1.000     1.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      1.658 ppm2      3.495 CV     1
 ASSI {  909}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.600     0.800     0.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.42834E-02 ppm1      1.749 ppm2      3.257 CV     1
 OR {  909}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  909}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  909}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  914}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.300     0.700     0.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.59705E-02 ppm1      2.132 ppm2      3.568 CV     1
 OR {  914}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  916}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.300     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.17191E-02 ppm1      2.186 ppm2      2.802 CV     1
 ASSI {  917}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.200     0.600     0.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.75329E-02 ppm1      2.134 ppm2      2.543 CV     1
 OR {  917}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  918}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.28088E-02 ppm1      1.826 ppm2      2.458 CV     1
 ASSI {  921}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak   921 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      1.546 ppm2      2.455 CV     1
 ASSI {  923}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.800     0.400     0.400 peak   923 spectrum    1 weight  0.10000E+01 volume  0.70554E-02 ppm1      1.324 ppm2      2.190 CV     1
 ASSI {  924}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak   924 spectrum    1 weight  0.10000E+01 volume  0.18004E-02 ppm1      1.324 ppm2      2.014 CV     1
 ASSI {  927}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.30108E-02 ppm1      1.159 ppm2      2.045 CV     1
 OR {  927}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  932}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.200     0.600     0.600 peak   932 spectrum    1 weight  0.10000E+01 volume  0.88653E-02 ppm1      1.894 ppm2      1.127 CV     1
 ASSI {  943}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.600     0.900     0.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.26947E-02 ppm1      1.764 ppm2      0.959 CV     1
 ASSI {  946}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.300     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.55072E-02 ppm1      1.778 ppm2      1.065 CV     1
 ASSI {  951}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      2.500     0.800     0.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.43739E-02 ppm1      1.501 ppm2      0.853 CV     1
 ASSI {  954}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.800     0.400     0.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.92281E-02 ppm1      1.501 ppm2      1.109 CV     1
 ASSI {  955}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.800     0.400     0.400 peak   955 spectrum    1 weight  0.10000E+01 volume  0.99011E-02 ppm1      1.402 ppm2      1.156 CV     1
 ASSI {  956}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      1.700     0.400     0.500 peak   956 spectrum    1 weight  0.10000E+01 volume  0.13508E-01 ppm1      1.354 ppm2      0.966 CV     1
 ASSI {  958}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.72914E-02 ppm1      1.557 ppm2      1.371 CV     1
 ASSI {  960}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.000     0.500     0.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.48678E-02 ppm1      1.654 ppm2      1.504 CV     1
 ASSI {  961}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.68899E-02 ppm1      1.710 ppm2      1.486 CV     1
 ASSI {  962}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.900     0.900 peak   962 spectrum    1 weight  0.10000E+01 volume  0.75094E-02 ppm1      1.710 ppm2      1.604 CV     1
 ASSI {  967}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.500     0.300     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.96848E-02 ppm1      1.546 ppm2      1.826 CV     1
 ASSI {  969}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.19669E-02 ppm1      1.581 ppm2      1.244 CV     1
 ASSI {  970}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.900     1.100     1.100 peak   970 spectrum    1 weight  0.10000E+01 volume  0.33537E-02 ppm1      1.127 ppm2      0.457 CV     1
 ASSI {  977}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.37322E-02 ppm1      1.201 ppm2      1.027 CV     1
 ASSI {  986}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.33079E-02 ppm1      0.895 ppm2      1.430 CV     1
 ASSI {  988}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.800     0.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.41988E-02 ppm1      0.894 ppm2      1.986 CV     1
 ASSI {  989}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   989 spectrum    1 weight  0.10000E+01 volume  0.10574E-01 ppm1      0.895 ppm2      1.881 CV     1
 ASSI {  990}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.37850E-02 ppm1      1.127 ppm2      2.326 CV     1
 ASSI {  991}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.800     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.26781E-02 ppm1      1.125 ppm2      2.241 CV     1
 ASSI {  995}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.56995E-03 ppm1      1.209 ppm2      0.786 CV     1
 ASSI {  996}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      4.000     2.000     2.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.74908E-03 ppm1      1.126 ppm2      0.608 CV     1
 ASSI {  997}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.18187E-02 ppm1      1.565 ppm2      0.597 CV     1
 ASSI {  998}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.200     3.400     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.40883E-03 ppm1      2.186 ppm2      0.446 CV     1
 ASSI { 1000}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.200     2.200     1.800 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.52221E-03 ppm1      1.129 ppm2      6.895 CV     1
 ASSI { 1001}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.68916E-03 ppm1      1.127 ppm2      8.845 CV     1
 ASSI { 1002}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.33216E-02 ppm1      1.745 ppm2      8.288 CV     1
 ASSI { 1003}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.95963E-03 ppm1      1.733 ppm2      8.124 CV     1
 ASSI { 1004}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.300     1.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.86200E-03 ppm1      1.691 ppm2      7.981 CV     1
 ASSI { 1008}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13359E-02 ppm1      1.982 ppm2      8.126 CV     1
 ASSI { 1009}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.700     1.700     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      2.477 ppm2      8.024 CV     1
 ASSI { 1011}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.28170E-02 ppm1      2.342 ppm2      8.502 CV     1
 ASSI { 1012}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.26320E-02 ppm1      2.205 ppm2      8.504 CV     1
 ASSI { 1014}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.300     1.300 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      2.341 ppm2      8.319 CV     1
 ASSI { 1015}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.19816E-02 ppm1      2.476 ppm2      8.948 CV     1
 ASSI { 1016}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      2.363 ppm2      8.951 CV     1
 ASSI { 1021}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.27589E-02 ppm1      2.207 ppm2      4.232 CV     1
 ASSI { 1024}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      1.980 ppm2      4.242 CV     1
 ASSI { 1027}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.23079E-02 ppm1      1.690 ppm2      4.033 CV     1
 ASSI { 1028}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.47181E-03 ppm1      1.947 ppm2      4.738 CV     1
 ASSI { 1029}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.98820E-03 ppm1      1.622 ppm2      4.734 CV     1
 ASSI { 1030}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.27926E-02 ppm1      1.268 ppm2      3.743 CV     1
 ASSI { 1031}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HD1 ))
      2.600     0.800     0.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.24345E-02 ppm1      1.733 ppm2      3.444 CV     1
 ASSI { 1033}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.700     0.900     0.900 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.29750E-02 ppm1      1.692 ppm2      3.341 CV     1
 OR { 1033}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 1037}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.46015E-02 ppm1      2.477 ppm2      2.756 CV     1
 ASSI { 1038}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1      2.367 ppm2      2.754 CV     1
 ASSI { 1042}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.800     0.400     0.400 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.12570E-01 ppm1      2.340 ppm2      2.206 CV     1
 ASSI { 1043}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.700     0.400     0.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.13414E-01 ppm1      2.475 ppm2      2.354 CV     1
 OR { 1043}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1045}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.51183E-02 ppm1      2.210 ppm2      2.455 CV     1
 ASSI { 1047}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.900     1.000     1.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.43284E-02 ppm1      1.971 ppm2      2.196 CV     1
 ASSI { 1048}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.23455E-02 ppm1      1.731 ppm2      2.194 CV     1
 ASSI { 1049}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.800     0.800 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.22314E-02 ppm1      1.624 ppm2      2.170 CV     1
 ASSI { 1050}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.100     1.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.24806E-02 ppm1      1.270 ppm2      1.932 CV     1
 ASSI { 1053}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.800     0.400     0.400 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.82103E-02 ppm1      1.621 ppm2      1.940 CV     1
 ASSI { 1056}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HG1 ))
      1.700     0.400     0.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.14144E-01 ppm1      1.692 ppm2      1.920 CV     1
 ASSI { 1057}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HG12))
      1.700     0.300     0.500 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11358E-01 ppm1      1.744 ppm2      1.266 CV     1
 ASSI { 1059}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.88489E-02 ppm1      1.981 ppm2      1.736 CV     1
 ASSI { 1069}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      5.000     3.100     1.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.35840E-03 ppm1      2.203 ppm2      1.649 CV     1
 ASSI { 1072}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.500     2.500     1.500 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.56187E-03 ppm1      2.473 ppm2      9.151 CV     1
 ASSI { 1073}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.68763E-03 ppm1      2.278 ppm2      9.149 CV     1
 ASSI { 1074}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.71975E-03 ppm1      2.172 ppm2      9.555 CV     1
 ASSI { 1077}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HE  ))
      3.000     1.100     1.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.65960E-03 ppm1      1.601 ppm2      9.071 CV     1
 ASSI { 1079}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      1.608 ppm2      8.996 CV     1
 ASSI { 1084}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.29260E-02 ppm1      2.027 ppm2      7.695 CV     1
 OR { 1084}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1085}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.67304E-03 ppm1      2.165 ppm2      7.551 CV     1
 ASSI { 1087}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.20888E-02 ppm1      2.272 ppm2      7.753 CV     1
 ASSI { 1092}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.74297E-02 ppm1      2.029 ppm2      7.981 CV     1
 OR { 1092}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1097}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.29816E-02 ppm1      2.259 ppm2      8.219 CV     1
 ASSI { 1098}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.30190E-02 ppm1      2.139 ppm2      8.217 CV     1
 ASSI { 1099}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.000     1.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      2.199 ppm2      8.425 CV     1
 ASSI { 1104}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.71210E-03 ppm1      2.463 ppm2      7.726 CV     1
 ASSI { 1106}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      1.604 ppm2      3.607 CV     1
 ASSI { 1107}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.200     2.200     1.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.53897E-03 ppm1      1.606 ppm2      3.492 CV     1
 ASSI { 1111}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.68954E-03 ppm1      1.858 ppm2      4.732 CV     1
 ASSI { 1112}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.98077E-03 ppm1      2.177 ppm2      4.735 CV     1
 ASSI { 1118}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.44093E-02 ppm1      2.270 ppm2      4.392 CV     1
 ASSI { 1121}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.400     2.400     1.600 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.36273E-03 ppm1      2.474 ppm2      4.469 CV     1
 ASSI { 1126}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD1 ))
      3.400     1.400     1.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.75411E-03 ppm1      1.863 ppm2      3.462 CV     1
 ASSI { 1127}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      1.861 ppm2      3.346 CV     1
 ASSI { 1130}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD1 ))
      3.300     1.400     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53645E-03 ppm1      2.191 ppm2      3.444 CV     1
 ASSI { 1133}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD1 ))
      3.400     1.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.69189E-03 ppm1      2.176 ppm2      3.443 CV     1
 ASSI { 1137}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.800     0.400     0.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.62141E-02 ppm1      1.860 ppm2      2.173 CV     1
 ASSI { 1138}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      5.300     3.600     0.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.34833E-03 ppm1      1.859 ppm2      1.183 CV     1
 ASSI { 1139}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      5.300     3.500     0.700 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.13620E-02 ppm1      1.867 ppm2      1.029 CV     1
 ASSI { 1141}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.49880E-02 ppm1      2.030 ppm2      1.696 CV     1
 OR { 1141}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1142}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.10055E-02 ppm1      2.469 ppm2      1.120 CV     1
 ASSI { 1143}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.100     1.100 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.20596E-02 ppm1      2.278 ppm2      1.121 CV     1
 ASSI { 1146}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      1.700     0.400     0.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10356E-01 ppm1      2.198 ppm2      2.024 CV     1
 ASSI { 1147}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.700     0.900     0.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.48270E-02 ppm1      2.071 ppm2      2.404 CV     1
 OR { 1147}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1149}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.600     0.300     0.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.25084E-01 ppm1      2.069 ppm2      2.229 CV     1
 ASSI { 1150}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.500     0.800     0.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.45935E-02 ppm1      2.123 ppm2      2.524 CV     1
 ASSI { 1152}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.800     1.000     1.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.42131E-02 ppm1      2.124 ppm2      2.451 CV     1
 ASSI { 1153}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.300     0.700     0.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.11392E-01 ppm1      2.243 ppm2      2.407 CV     1
 OR { 1153}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1156}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.55701E-02 ppm1      2.140 ppm2      2.390 CV     1
 ASSI { 1158}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.300     0.600     0.600 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.13085E-01 ppm1      2.131 ppm2      2.488 CV     1
 OR { 1158}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1159}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.900     0.500     0.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.67315E-02 ppm1      2.462 ppm2      2.281 CV     1
 ASSI { 1160}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      3.000     1.100     1.100 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.24515E-02 ppm1      2.469 ppm2      2.641 CV     1
 ASSI { 1162}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      5.600     3.900     0.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.42742E-03 ppm1      1.861 ppm2      0.784 CV     1
 ASSI { 1163}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.300     3.500     0.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.62322E-03 ppm1      1.862 ppm2      0.455 CV     1
 ASSI { 1165}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
      4.800     2.900     1.200 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.37910E-03 ppm1      2.278 ppm2      1.217 CV     1
 ASSI { 1166}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      5.800     4.300     0.200 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.24282E-03 ppm1      2.470 ppm2      1.222 CV     1
 ASSI { 1168}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.38743E-02 ppm1      1.887 ppm2      8.095 CV     1
 ASSI { 1169}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.34359E-02 ppm1      1.595 ppm2      8.096 CV     1
 ASSI { 1172}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.200     1.200 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1      2.051 ppm2      7.214 CV     1
 OR { 1172}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1174}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.100     2.100     1.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.10049E-02 ppm1      1.597 ppm2      7.436 CV     1
 ASSI { 1175}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.900     3.000     1.100 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.31790E-03 ppm1      1.594 ppm2      6.823 CV     1
 ASSI { 1179}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.96553E-03 ppm1      1.893 ppm2      4.312 CV     1
 ASSI { 1180}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.21805E-02 ppm1      2.043 ppm2      4.624 CV     1
 OR { 1180}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1182}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.900     1.100     1.100 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.25542E-02 ppm1      2.047 ppm2      3.208 CV     1
 OR { 1182}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1182}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1182}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1185}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.24233E-02 ppm1      2.050 ppm2      1.402 CV     1
 OR { 1185}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1186}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.700     0.300     0.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.13578E-01 ppm1      1.885 ppm2      1.598 CV     1
 ASSI { 1187}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.42869E-02 ppm1      1.887 ppm2      1.359 CV     1
 ASSI { 1189}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.800     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.17376E-02 ppm1      1.887 ppm2      0.970 CV     1
 ASSI { 1190}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.23718E-02 ppm1      1.594 ppm2      0.969 CV     1
 ASSI { 1191}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.400     0.700     0.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.39059E-02 ppm1      1.592 ppm2      1.355 CV     1
 ASSI { 1197}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.400     0.700     0.700 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.78858E-02 ppm1      2.073 ppm2      1.751 CV     1
 OR { 1197}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1198}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.600     0.600 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.88779E-02 ppm1      1.860 ppm2      1.749 CV     1
 OR { 1198}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1199}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.800     0.400     0.400 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.72767E-02 ppm1      2.016 ppm2      2.246 CV     1
 ASSI { 1201}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.71887E-03 ppm1      2.255 ppm2      8.996 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.64807E-03 ppm1      2.056 ppm2      8.817 CV     1
 ASSI { 1205}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.30687E-02 ppm1      2.226 ppm2      8.254 CV     1
 ASSI { 1206}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.600     0.600 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.38400E-02 ppm1      2.289 ppm2      8.234 CV     1
 ASSI { 1207}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.58875E-02 ppm1      2.276 ppm2      8.472 CV     1
 ASSI { 1208}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      2.542 ppm2      8.822 CV     1
 ASSI { 1209}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.600     1.600 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.90609E-03 ppm1      2.542 ppm2      8.604 CV     1
 ASSI { 1210}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.21217E-02 ppm1      2.848 ppm2      8.246 CV     1
 ASSI { 1211}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.21354E-02 ppm1      2.754 ppm2      8.246 CV     1
 ASSI { 1212}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.40011E-03 ppm1      2.756 ppm2      8.497 CV     1
 ASSI { 1213}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.45705E-03 ppm1      2.851 ppm2      8.497 CV     1
 ASSI { 1214}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.83196E-03 ppm1      2.542 ppm2      7.387 CV     1
 ASSI { 1215}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.96192E-03 ppm1      2.252 ppm2      7.314 CV     1
 ASSI { 1217}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.300     2.300     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.61928E-03 ppm1      2.250 ppm2      6.893 CV     1
 ASSI { 1218}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.59366E-02 ppm1      2.224 ppm2      7.392 CV     1
 ASSI { 1225}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12964E-02 ppm1      2.054 ppm2      7.394 CV     1
 ASSI { 1226}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      2.072 ppm2      7.509 CV     1
 ASSI { 1228}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.30575E-02 ppm1      2.056 ppm2      4.527 CV     1
 ASSI { 1230}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.700     1.700     1.700 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.14967E-02 ppm1      2.052 ppm2      4.014 CV     1
 ASSI { 1231}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.35785E-02 ppm1      2.075 ppm2      4.628 CV     1
 ASSI { 1232}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.25803E-02 ppm1      1.859 ppm2      4.626 CV     1
 ASSI { 1235}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.100     1.100 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      2.055 ppm2      3.570 CV     1
 ASSI { 1237}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.47754E-03 ppm1      2.070 ppm2      3.802 CV     1
 ASSI { 1239}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.200     1.300     1.300 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.15107E-02 ppm1      2.075 ppm2      3.260 CV     1
 OR { 1239}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1240}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.300     1.300     1.300 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.17218E-02 ppm1      1.860 ppm2      3.256 CV     1
 OR { 1240}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1242}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.100     1.100 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.13871E-02 ppm1      2.228 ppm2      3.570 CV     1
 ASSI { 1243}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.28456E-02 ppm1      2.225 ppm2      3.807 CV     1
 ASSI { 1244}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.31902E-02 ppm1      2.275 ppm2      4.033 CV     1
 ASSI { 1245}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.37305E-02 ppm1      2.274 ppm2      3.936 CV     1
 ASSI { 1250}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.14398E-02 ppm1      2.543 ppm2      4.014 CV     1
 ASSI { 1251}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.900     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.25905E-03 ppm1      2.541 ppm2      3.818 CV     1
 ASSI { 1252}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.000     2.000     2.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.12481E-02 ppm1      2.541 ppm2      3.567 CV     1
 ASSI { 1255}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.200     2.300     1.800 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.29153E-03 ppm1      2.755 ppm2      4.143 CV     1
 ASSI { 1256}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.300     2.300     1.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.37838E-03 ppm1      2.841 ppm2      4.132 CV     1
 ASSI { 1259}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      4.800     2.900     1.200 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.24011E-03 ppm1      2.848 ppm2      4.452 CV     1
 ASSI { 1260}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      4.800     2.800     1.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.20724E-03 ppm1      2.759 ppm2      4.450 CV     1
 ASSI { 1262}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.400     0.700     0.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.74056E-02 ppm1      2.849 ppm2      2.326 CV     1
 OR { 1262}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1263}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.59486E-02 ppm1      2.752 ppm2      2.329 CV     1
 OR { 1263}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1264}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.87593E-03 ppm1      2.852 ppm2      2.196 CV     1
 ASSI { 1265}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.400     2.400     1.600 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.64250E-03 ppm1      2.753 ppm2      2.198 CV     1
 ASSI { 1270}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.600     0.300     0.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.14940E-01 ppm1      2.056 ppm2      2.541 CV     1
 ASSI { 1274}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      4.400     2.400     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.45350E-03 ppm1      2.846 ppm2      1.396 CV     1
 ASSI { 1275}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      4.000     2.000     2.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.46407E-03 ppm1      2.756 ppm2      1.394 CV     1
 ASSI { 1276}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.54045E-03 ppm1      2.854 ppm2      1.077 CV     1
 ASSI { 1277}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      3.800     1.800     1.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.47005E-03 ppm1      2.754 ppm2      1.066 CV     1
 ASSI { 1278}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      4.000     2.000     2.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.31029E-03 ppm1      2.857 ppm2      0.964 CV     1
 ASSI { 1280}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.700     1.700     1.700 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      2.541 ppm2      1.019 CV     1
 ASSI { 1282}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.100     0.600     0.600 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.11253E-01 ppm1      2.226 ppm2      1.007 CV     1
 ASSI { 1284}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.19131E-02 ppm1      2.250 ppm2      1.330 CV     1
 ASSI { 1286}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.600     0.800     0.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22605E-02 ppm1      2.054 ppm2      1.020 CV     1
 ASSI { 1288}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.90970E-03 ppm1      2.016 ppm2      1.125 CV     1
 ASSI { 1294}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.600     0.300     0.600 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.18129E-01 ppm1      2.073 ppm2      1.862 CV     1
 ASSI { 1295}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.18597E-02 ppm1      2.402 ppm2      9.151 CV     1
 ASSI { 1296}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.57039E-03 ppm1      2.399 ppm2      7.722 CV     1
 ASSI { 1298}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      2.404 ppm2      7.292 CV     1
 ASSI { 1299}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.400     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.52284E-03 ppm1      2.402 ppm2      6.922 CV     1
 OR { 1299}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1301}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.200     0.600     0.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.61153E-02 ppm1      2.402 ppm2      1.206 CV     1
 ASSI { 1304}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.500     1.500 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.51687E-03 ppm1      2.401 ppm2      1.699 CV     1
 ASSI { 1308}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     0.700     0.700 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.27215E-02 ppm1      2.759 ppm2      8.947 CV     1
 ASSI { 1309}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.700     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.18284E-02 ppm1      2.331 ppm2      8.946 CV     1
 ASSI { 1311}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.800     1.200 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.65900E-03 ppm1      2.328 ppm2      8.026 CV     1
 ASSI { 1312}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.36199E-02 ppm1      2.139 ppm2      8.479 CV     1
 ASSI { 1319}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.19765E-02 ppm1      2.333 ppm2      4.109 CV     1
 ASSI { 1322}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.000     2.000     2.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.43124E-03 ppm1      2.338 ppm2      4.825 CV     1
 ASSI { 1323}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
      5.100     3.200     0.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.25389E-03 ppm1      2.768 ppm2      4.831 CV     1
 ASSI { 1325}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.700     0.400     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.13262E-01 ppm1      2.758 ppm2      2.338 CV     1
 OR { 1325}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1327}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.300     0.700     0.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.45640E-02 ppm1      2.331 ppm2      2.474 CV     1
 ASSI { 1328}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.700     0.400     0.500 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.92384E-02 ppm1      2.331 ppm2      2.757 CV     1
 ASSI { 1336}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.12345E-02 ppm1      2.391 ppm2      8.219 CV     1
 ASSI { 1338}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.800     1.800 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.17985E-02 ppm1      2.451 ppm2      8.500 CV     1
 ASSI { 1340}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      5.100     3.300     0.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.30547E-03 ppm1      2.635 ppm2      7.724 CV     1
 ASSI { 1341}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.800     1.300 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.48472E-03 ppm1      2.488 ppm2      7.719 CV     1
 ASSI { 1343}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.73941E-03 ppm1      2.494 ppm2      7.477 CV     1
 ASSI { 1349}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.23217E-02 ppm1      2.487 ppm2      4.242 CV     1
 ASSI { 1350}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.23898E-02 ppm1      2.455 ppm2      4.238 CV     1
 ASSI { 1354}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HA1 ))
      3.600     1.600     1.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.38784E-03 ppm1      2.406 ppm2      4.063 CV     1
 OR { 1354}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HA1 ))
 OR { 1354}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 1354}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI { 1355}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.53431E-02 ppm1      2.488 ppm2      2.277 CV     1
 ASSI { 1356}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.100     0.500     0.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.18186E-01 ppm1      2.484 ppm2      2.260 CV     1
 OR { 1356}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1358}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      1.700     0.300     0.500 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.16945E-01 ppm1      2.393 ppm2      2.621 CV     1
 ASSI { 1359}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HG1 ))
      1.900     0.400     0.400 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.90008E-02 ppm1      2.488 ppm2      2.642 CV     1
 ASSI { 1362}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HG2 ))
      1.500     0.300     0.700 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.48455E-01 ppm1      2.530 ppm2      2.459 CV     1
 ASSI { 1364}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HG2 ))
      1.800     0.400     0.400 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.14581E-01 ppm1      2.641 ppm2      2.488 CV     1
 OR { 1364}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1365}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HG2 ))
      1.700     0.400     0.500 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.17703E-01 ppm1      2.602 ppm2      2.456 CV     1
 ASSI { 1367}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.46065E-02 ppm1      2.600 ppm2      2.341 CV     1
 ASSI { 1368}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.39250E-02 ppm1      2.600 ppm2      2.207 CV     1
 ASSI { 1370}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.26283E-02 ppm1      2.622 ppm2      2.139 CV     1
 ASSI { 1372}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      4.500     2.500     1.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.67397E-03 ppm1      2.645 ppm2      1.116 CV     1
 ASSI { 1373}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.700     1.300 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.73668E-03 ppm1      2.489 ppm2      1.117 CV     1
 ASSI { 1377}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     2.700     1.300 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.45303E-03 ppm1      2.488 ppm2      1.857 CV     1
 OR { 1377}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1381}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.26524E-03 ppm1      2.645 ppm2      9.154 CV     1
 ASSI { 1382}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.600     1.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.28530E-03 ppm1      2.487 ppm2      9.149 CV     1
 ASSI { 1383}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.48539E-02 ppm1      1.936 ppm2      8.288 CV     1
 ASSI { 1396}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.400     1.600 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.41358E-03 ppm1      3.605 ppm2      8.065 CV     1
 ASSI { 1397}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      3.094 ppm2      9.552 CV     1
 ASSI { 1399}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.38333E-02 ppm1      3.093 ppm2      7.121 CV     1
 ASSI { 1401}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      3.300     1.300     1.300 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      2.773 ppm2      7.333 CV     1
 ASSI { 1402}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.31044E-02 ppm1      3.603 ppm2      7.120 CV     1
 ASSI { 1403}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.500     1.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.69353E-03 ppm1      3.601 ppm2      6.996 CV     1
 ASSI { 1404}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.600     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.43040E-03 ppm1      3.093 ppm2      6.979 CV     1
 ASSI { 1405}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.14552E-02 ppm1      3.090 ppm2      4.909 CV     1
 ASSI { 1406}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20898E-02 ppm1      2.772 ppm2      4.908 CV     1
 ASSI { 1410}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      1.700     0.300     0.500 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.11702E-01 ppm1      3.093 ppm2      3.601 CV     1
 ASSI { 1411}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      1.934 ppm2      3.894 CV     1
 ASSI { 1412}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.22168E-02 ppm1      1.935 ppm2      3.744 CV     1
 ASSI { 1414}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.15651E-02 ppm1      3.600 ppm2      2.782 CV     1
 ASSI { 1415}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.900     0.500     0.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.86195E-02 ppm1      3.091 ppm2      2.772 CV     1
 ASSI { 1424}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.46669E-03 ppm1      3.099 ppm2      0.203 CV     1
 ASSI { 1430}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.32754E-02 ppm1      1.939 ppm2      1.742 CV     1
 ASSI { 1432}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.56941E-02 ppm1      3.453 ppm2      7.437 CV     1
 ASSI { 1433}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.22341E-02 ppm1      3.453 ppm2      8.142 CV     1
 ASSI { 1434}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.50957E-02 ppm1      2.794 ppm2      7.436 CV     1
 ASSI { 1439}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.26380E-02 ppm1      2.795 ppm2      8.144 CV     1
 ASSI { 1442}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.35148E-02 ppm1      2.459 ppm2      4.669 CV     1
 ASSI { 1443}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.800     2.900     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.75569E-03 ppm1      2.457 ppm2      4.376 CV     1
 ASSI { 1447}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.36667E-02 ppm1      3.454 ppm2      4.691 CV     1
 ASSI { 1449}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB1 ))
      1.700     0.400     0.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.14146E-01 ppm1      2.794 ppm2      3.454 CV     1
 ASSI { 1463}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1      1.803 ppm2      8.302 CV     1
 ASSI { 1464}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.25119E-02 ppm1      2.837 ppm2      8.823 CV     1
 ASSI { 1471}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.200     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      2.843 ppm2      8.601 CV     1
 ASSI { 1472}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.17657E-02 ppm1      2.731 ppm2      8.601 CV     1
 ASSI { 1474}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.800     2.800     1.200 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.38044E-03 ppm1      3.454 ppm2      7.982 CV     1
 ASSI { 1477}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.39352E-03 ppm1      3.018 ppm2      7.521 CV     1
 ASSI { 1478}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.38298E-02 ppm1      3.014 ppm2      7.309 CV     1
 ASSI { 1480}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.18410E-02 ppm1      3.009 ppm2      7.118 CV     1
 ASSI { 1481}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      2.400     0.700     0.700 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.31058E-02 ppm1      3.007 ppm2      6.970 CV     1
 ASSI { 1482}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.900     1.000     1.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      2.779 ppm2      7.120 CV     1
 ASSI { 1486}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.12101E-02 ppm1      2.776 ppm2      8.001 CV     1
 ASSI { 1487}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.400     1.400 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.14849E-02 ppm1      2.716 ppm2      8.004 CV     1
 ASSI { 1488}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.900     3.000     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.27364E-03 ppm1      3.294 ppm2      7.511 CV     1
 ASSI { 1489}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.43224E-02 ppm1      3.295 ppm2      7.310 CV     1
 ASSI { 1494}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      3.007 ppm2      4.579 CV     1
 ASSI { 1497}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.83704E-03 ppm1      3.298 ppm2      4.367 CV     1
 ASSI { 1498}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.26601E-02 ppm1      2.888 ppm2      4.845 CV     1
 ASSI { 1499}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.31942E-02 ppm1      2.667 ppm2      4.845 CV     1
 ASSI { 1500}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      5.000     3.100     1.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.36894E-03 ppm1      1.806 ppm2      4.831 CV     1
 ASSI { 1501}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.20557E-02 ppm1      1.804 ppm2      4.656 CV     1
 ASSI { 1504}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.25028E-02 ppm1      2.778 ppm2      4.581 CV     1
 ASSI { 1508}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.29433E-02 ppm1      2.773 ppm2      4.488 CV     1
 ASSI { 1513}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.95673E-03 ppm1      2.793 ppm2      4.694 CV     1
 ASSI { 1516}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      3.006 ppm2      3.601 CV     1
 ASSI { 1520}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.600     0.300     0.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.11222E-01 ppm1      3.008 ppm2      2.782 CV     1
 ASSI { 1521}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.600     0.300     0.600 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.14226E-01 ppm1      3.296 ppm2      3.015 CV     1
 ASSI { 1524}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      5.100     3.200     0.900 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.43404E-03 ppm1      3.300 ppm2      1.780 CV     1
 OR { 1524}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1533}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.600     2.600     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.36211E-03 ppm1      3.300 ppm2      1.237 CV     1
 ASSI { 1536}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.34352E-02 ppm1      1.804 ppm2      0.853 CV     1
 ASSI { 1537}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.200     1.300     1.300 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      1.803 ppm2      1.123 CV     1
 ASSI { 1538}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.300     0.600     0.600 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.69260E-02 ppm1      1.800 ppm2      1.017 CV     1
 ASSI { 1540}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.34994E-03 ppm1      2.778 ppm2      0.365 CV     1
 ASSI { 1541}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.500     1.500 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.77110E-03 ppm1      2.779 ppm2      0.202 CV     1
 ASSI { 1542}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.34642E-03 ppm1      3.011 ppm2      0.201 CV     1
 ASSI { 1544}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      4.500     2.600     1.500 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.47745E-03 ppm1      2.773 ppm2      1.353 CV     1
 ASSI { 1545}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.600     0.800     0.800 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.31485E-02 ppm1      1.803 ppm2      1.509 CV     1
 ASSI { 1546}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.38735E-02 ppm1      1.631 ppm2      7.520 CV     1
 ASSI { 1547}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.48191E-02 ppm1      3.293 ppm2      8.918 CV     1
 ASSI { 1548}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.30607E-02 ppm1      2.854 ppm2      8.919 CV     1
 ASSI { 1549}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.034 ppm2      9.048 CV     1
 ASSI { 1550}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.18628E-02 ppm1      2.697 ppm2      9.049 CV     1
 ASSI { 1554}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.56668E-02 ppm1      2.711 ppm2      8.245 CV     1
 OR { 1554}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1558}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.46688E-03 ppm1      2.853 ppm2      7.772 CV     1
 ASSI { 1566}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.28721E-02 ppm1      2.995 ppm2      7.551 CV     1
 ASSI { 1570}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.70030E-03 ppm1      2.358 ppm2      7.213 CV     1
 ASSI { 1575}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.43662E-02 ppm1      3.033 ppm2      5.047 CV     1
 ASSI { 1576}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.23209E-02 ppm1      3.091 ppm2      4.810 CV     1
 ASSI { 1577}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.27836E-02 ppm1      2.995 ppm2      4.810 CV     1
 ASSI { 1580}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.50262E-02 ppm1      2.835 ppm2      4.724 CV     1
 OR { 1580}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1582}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.68375E-02 ppm1      2.711 ppm2      4.622 CV     1
 OR { 1582}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1583}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.446 ppm2      4.365 CV     1
 ASSI { 1584}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.700     0.400     0.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.22715E-01 ppm1      2.359 ppm2      3.032 CV     1
 ASSI { 1586}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      1.800     0.400     0.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.15923E-01 ppm1      2.854 ppm2      3.290 CV     1
 ASSI { 1589}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.14066E-01 ppm1      3.035 ppm2      2.698 CV     1
 ASSI { 1592}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.64999E-03 ppm1      3.084 ppm2      1.850 CV     1
 ASSI { 1593}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.57099E-03 ppm1      2.995 ppm2      1.854 CV     1
 ASSI { 1600}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      1.986 ppm2      1.876 CV     1
 ASSI { 1603}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.000     1.200     1.200 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.19743E-02 ppm1      1.832 ppm2      1.035 CV     1
 OR { 1603}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 1604}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.000     1.100     1.100 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.26965E-02 ppm1      1.886 ppm2      1.030 CV     1
 OR { 1604}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1607}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.28865E-02 ppm1      2.360 ppm2      5.047 CV     1
 ASSI { 1609}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     2.600     3.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.19724E-02 ppm1      1.406 ppm2      7.212 CV     1
 ASSI { 1610}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.28752E-02 ppm1      1.776 ppm2      7.212 CV     1
 ASSI { 1612}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.26737E-02 ppm1      1.561 ppm2      8.274 CV     1
 ASSI { 1614}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.22648E-02 ppm1      1.478 ppm2      8.153 CV     1
 ASSI { 1616}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.438 ppm2      8.427 CV     1
 ASSI { 1619}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      1.558 ppm2      7.961 CV     1
 ASSI { 1622}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.65485E-03 ppm1      1.371 ppm2      9.054 CV     1
 ASSI { 1623}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.000     1.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.79743E-03 ppm1      1.435 ppm2      8.945 CV     1
 ASSI { 1624}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.16253E-02 ppm1      1.698 ppm2      8.739 CV     1
 ASSI { 1625}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.37166E-02 ppm1      1.546 ppm2      8.736 CV     1
 ASSI { 1626}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.13107E-02 ppm1      1.565 ppm2      8.842 CV     1
 ASSI { 1628}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.500     1.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.93018E-03 ppm1      1.582 ppm2      9.051 CV     1
 ASSI { 1629}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.13789E-02 ppm1      1.923 ppm2      8.287 CV     1
 ASSI { 1634}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.85955E-03 ppm1      1.775 ppm2      8.470 CV     1
 ASSI { 1635}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      2.222 ppm2      8.951 CV     1
 ASSI { 1636}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.35573E-02 ppm1      2.222 ppm2      8.424 CV     1
 ASSI { 1637}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.19685E-02 ppm1      2.429 ppm2      8.740 CV     1
 ASSI { 1638}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.52040E-02 ppm1      2.189 ppm2      8.727 CV     1
 ASSI { 1640}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.23918E-02 ppm1      2.330 ppm2      8.841 CV     1
 ASSI { 1641}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.500     0.800     0.800 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.33074E-02 ppm1      3.495 ppm2      9.072 CV     1
 ASSI { 1642}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.500     0.800     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.43752E-02 ppm1      3.018 ppm2      9.073 CV     1
 ASSI { 1643}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      2.800     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.36554E-02 ppm1      3.494 ppm2      6.902 CV     1
 OR { 1643}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1643}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1644}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.700     0.900     0.900 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.24879E-02 ppm1      3.020 ppm2      6.898 CV     1
 OR { 1644}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1644}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1645}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.700     1.700     1.700 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.65080E-03 ppm1      2.430 ppm2      6.898 CV     1
 ASSI { 1646}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      2.800     1.000     1.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.99290E-03 ppm1      1.697 ppm2      6.905 CV     1
 OR { 1646}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1648}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.19131E-02 ppm1      1.560 ppm2      4.908 CV     1
 ASSI { 1649}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.22823E-02 ppm1      1.582 ppm2      4.529 CV     1
 ASSI { 1652}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.36227E-02 ppm1      1.568 ppm2      4.213 CV     1
 ASSI { 1653}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.31158E-02 ppm1      1.547 ppm2      3.892 CV     1
 ASSI { 1654}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.25990E-02 ppm1      1.435 ppm2      4.312 CV     1
 ASSI { 1657}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      1.438 ppm2      3.955 CV     1
 ASSI { 1659}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.14995E-02 ppm1      1.775 ppm2      4.316 CV     1
 ASSI { 1663}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.28231E-02 ppm1      2.007 ppm2      4.909 CV     1
 ASSI { 1666}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.28926E-02 ppm1      2.011 ppm2      4.236 CV     1
 ASSI { 1667}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.23535E-02 ppm1      2.222 ppm2      4.312 CV     1
 ASSI { 1668}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.18597E-02 ppm1      2.222 ppm2      3.955 CV     1
 ASSI { 1669}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      2.431 ppm2      4.237 CV     1
 ASSI { 1670}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.21050E-02 ppm1      2.189 ppm2      3.893 CV     1
 ASSI { 1672}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.20823E-02 ppm1      2.429 ppm2      4.306 CV     1
 ASSI { 1673}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.21826E-02 ppm1      2.330 ppm2      4.212 CV     1
 ASSI { 1675}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      1.986 ppm2      3.526 CV     1
 ASSI { 1676}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.13943E-02 ppm1      1.633 ppm2      3.310 CV     1
 ASSI { 1677}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HD1 ))
      1.700     0.400     0.500 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.12578E-01 ppm1      3.020 ppm2      3.492 CV     1
 ASSI { 1682}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      1.549 ppm2      3.609 CV     1
 ASSI { 1683}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.83365E-03 ppm1      1.439 ppm2      3.525 CV     1
 ASSI { 1684}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.700     0.400     0.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.80016E-02 ppm1      1.699 ppm2      2.428 CV     1
 ASSI { 1685}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.700     0.400     0.500 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.13201E-01 ppm1      1.559 ppm2      2.006 CV     1
 ASSI { 1686}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.800     0.400     0.400 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.91756E-02 ppm1      1.547 ppm2      2.191 CV     1
 ASSI { 1687}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.11040E-01 ppm1      1.567 ppm2      2.330 CV     1
 ASSI { 1688}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      1.600     0.300     0.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.12931E-01 ppm1      1.438 ppm2      2.221 CV     1
 ASSI { 1690}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.500     0.800     0.800 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.36266E-02 ppm1      1.556 ppm2      1.838 CV     1
 ASSI { 1691}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      2.900     1.000     1.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.25370E-02 ppm1      1.564 ppm2      1.893 CV     1
 ASSI { 1692}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.600     0.300     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.11417E-01 ppm1      1.407 ppm2      1.777 CV     1
 OR { 1692}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1693}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.700     0.300     0.500 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.17262E-01 ppm1      1.371 ppm2      1.570 CV     1
 OR { 1693}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1695}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
      2.600     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.20186E-02 ppm1      1.436 ppm2      2.044 CV     1
 ASSI { 1696}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.700     0.400     0.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.10369E-01 ppm1      1.435 ppm2      1.985 CV     1
 ASSI { 1697}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.20041E-02 ppm1      1.435 ppm2      1.881 CV     1
 ASSI { 1700}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.600     0.300     0.600 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15984E-01 ppm1      1.480 ppm2      1.607 CV     1
 ASSI { 1701}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.700     0.400     0.500 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.12027E-01 ppm1      1.580 ppm2      1.369 CV     1
 ASSI { 1703}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.600     0.300     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.12052E-01 ppm1      1.776 ppm2      1.408 CV     1
 ASSI { 1706}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      1.600     0.300     0.600 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.16714E-01 ppm1      2.030 ppm2      1.923 CV     1
 ASSI { 1708}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG  ))
      2.700     0.900     0.900 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.45714E-02 ppm1      1.925 ppm2      1.822 CV     1
 ASSI { 1711}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.000     1.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.37637E-02 ppm1      1.543 ppm2      1.682 CV     1
 ASSI { 1715}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.600     0.300     0.600 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.12042E-01 ppm1      1.631 ppm2      1.027 CV     1
 ASSI { 1720}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.26338E-02 ppm1      1.638 ppm2      1.211 CV     1
 ASSI { 1721}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.43400E-02 ppm1      1.581 ppm2      0.612 CV     1
 OR { 1721}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1722}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.600     0.800     0.800 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.37927E-02 ppm1      1.632 ppm2      0.781 CV     1
 ASSI { 1734}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      3.018 ppm2      1.867 CV     1
 ASSI { 1735}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.17535E-02 ppm1      3.019 ppm2      1.523 CV     1
 ASSI { 1736}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.27591E-02 ppm1      3.496 ppm2      1.516 CV     1
 ASSI { 1737}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.12243E-02 ppm1      3.495 ppm2      1.858 CV     1
 ASSI { 1740}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      4.500     2.600     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.54701E-03 ppm1      2.328 ppm2      0.614 CV     1
 OR { 1740}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1741}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.600     0.800     0.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.27052E-02 ppm1      2.330 ppm2      1.891 CV     1
 ASSI { 1744}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.85075E-03 ppm1      1.915 ppm2      1.100 CV     1
 ASSI { 1745}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.700     2.700     1.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.68489E-03 ppm1      1.919 ppm2      0.849 CV     1
 ASSI { 1746}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.54456E-03 ppm1      2.190 ppm2      0.460 CV     1
 ASSI { 1747}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.500     1.500 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.17253E-02 ppm1      1.630 ppm2      0.459 CV     1
 ASSI { 1748}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.100     1.100 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      1.366 ppm2      0.614 CV     1
 OR { 1748}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1757}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      3.600     1.600     1.600 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.25502E-02 ppm1      1.477 ppm2      0.950 CV     1
 ASSI { 1761}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.26409E-02 ppm1      1.033 ppm2      0.774 CV     1
 ASSI { 1762}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.500     1.500 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.90167E-03 ppm1      1.778 ppm2      0.876 CV     1
 ASSI { 1764}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      4.400     2.500     1.600 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.78039E-03 ppm1      2.427 ppm2      1.199 CV     1
 ASSI { 1768}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.28835E-02 ppm1      3.006 ppm2      9.152 CV     1
 ASSI { 1769}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.800     0.800 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.32257E-02 ppm1      2.876 ppm2      9.153 CV     1
 ASSI { 1770}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.86637E-03 ppm1      3.002 ppm2      7.476 CV     1
 ASSI { 1774}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
      5.300     3.500     0.700 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.38498E-03 ppm1      3.446 ppm2      8.131 CV     1
 ASSI { 1775}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      5.500     3.800     0.500 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.30296E-03 ppm1      3.308 ppm2      8.130 CV     1
 ASSI { 1777}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      3.448 ppm2      8.008 CV     1
 ASSI { 1781}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      2.900     1.100     1.100 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      3.445 ppm2      7.566 CV     1
 ASSI { 1782}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.500     1.500     1.500 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.10646E-02 ppm1      3.304 ppm2      7.559 CV     1
 ASSI { 1784}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.35440E-02 ppm1      3.190 ppm2      7.321 CV     1
 ASSI { 1785}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.200     1.200     1.200 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.13060E-02 ppm1      3.265 ppm2      7.416 CV     1
 OR { 1785}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 1787}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      4.100     2.100     1.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.74575E-03 ppm1      3.012 ppm2      6.816 CV     1
 ASSI { 1791}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.900     3.000     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.48035E-03 ppm1      2.874 ppm2      4.478 CV     1
 ASSI { 1792}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.33724E-02 ppm1      3.006 ppm2      5.266 CV     1
 ASSI { 1794}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.61393E-03 ppm1      3.449 ppm2      4.401 CV     1
 ASSI { 1795}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.63376E-03 ppm1      3.300 ppm2      4.401 CV     1
 ASSI { 1796}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.900     3.000     1.100 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.71876E-03 ppm1      3.442 ppm2      4.243 CV     1
 ASSI { 1797}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.500     2.500     1.500 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.68418E-03 ppm1      3.298 ppm2      4.235 CV     1
 ASSI { 1798}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.92942E-03 ppm1      3.221 ppm2      4.302 CV     1
 ASSI { 1799}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.500     2.500     1.500 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.47579E-03 ppm1      3.272 ppm2      4.637 CV     1
 OR { 1799}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1800}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.78153E-03 ppm1      3.235 ppm2      4.623 CV     1
 ASSI { 1802}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.300     2.300     1.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.90751E-03 ppm1      3.096 ppm2      4.096 CV     1
 ASSI { 1803}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.400     2.400     1.600 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.77662E-03 ppm1      3.008 ppm2      4.097 CV     1
 ASSI { 1809}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.47773E-03 ppm1      3.313 ppm2      4.559 CV     1
 ASSI { 1810}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     1.800     1.800 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.59481E-03 ppm1      3.376 ppm2      4.548 CV     1
 ASSI { 1811}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.600     2.700     1.400 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.42976E-03 ppm1      3.367 ppm2      4.032 CV     1
 ASSI { 1812}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.600     2.600     1.400 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.51030E-03 ppm1      3.314 ppm2      4.033 CV     1
 ASSI { 1813}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.200     1.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.35459E-03 ppm1      3.231 ppm2      3.525 CV     1
 ASSI { 1814}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.60175E-03 ppm1      3.191 ppm2      3.523 CV     1
 ASSI { 1817}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.35555E-02 ppm1      3.370 ppm2      1.688 CV     1
 ASSI { 1818}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.28338E-02 ppm1      3.353 ppm2      1.651 CV     1
 ASSI { 1819}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.800     0.800 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.35495E-02 ppm1      3.447 ppm2      1.626 CV     1
 ASSI { 1822}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     1.000     1.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.26568E-02 ppm1      3.369 ppm2      2.024 CV     1
 OR { 1822}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1825}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.400     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      3.298 ppm2      2.201 CV     1
 ASSI { 1826}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14533E-02 ppm1      3.345 ppm2      2.170 CV     1
 ASSI { 1829}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.30353E-02 ppm1      3.231 ppm2      2.058 CV     1
 OR { 1829}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1832}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      3.096 ppm2      1.597 CV     1
 ASSI { 1833}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.200     1.200 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.14198E-02 ppm1      3.008 ppm2      1.593 CV     1
 ASSI { 1834}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      3.095 ppm2      1.886 CV     1
 ASSI { 1835}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.13618E-02 ppm1      3.012 ppm2      1.890 CV     1
 ASSI { 1836}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.22453E-02 ppm1      3.009 ppm2      1.358 CV     1
 ASSI { 1837}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      3.100     1.200     1.200 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.26068E-02 ppm1      3.096 ppm2      1.353 CV     1
 ASSI { 1840}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.27532E-02 ppm1      3.224 ppm2      1.157 CV     1
 ASSI { 1841}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.28866E-02 ppm1      3.190 ppm2      1.159 CV     1
 ASSI { 1842}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.33225E-02 ppm1      3.097 ppm2      0.967 CV     1
 ASSI { 1843}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.30251E-02 ppm1      3.008 ppm2      0.968 CV     1
 ASSI { 1848}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.35105E-02 ppm1      3.223 ppm2      1.397 CV     1
 ASSI { 1849}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      3.300     1.300     1.300 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.93717E-03 ppm1      3.190 ppm2      1.399 CV     1
 ASSI { 1850}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      4.400     2.400     1.600 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.45111E-03 ppm1      2.874 ppm2      1.614 CV     1
 ASSI { 1852}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.40299E-02 ppm1      4.257 ppm2      8.563 CV     1
 ASSI { 1854}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.54898E-02 ppm1      4.076 ppm2      8.138 CV     1
 OR { 1854}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1855}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.42830E-02 ppm1      4.134 ppm2      8.025 CV     1
 ASSI { 1856}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.52667E-02 ppm1      3.891 ppm2      8.026 CV     1
 ASSI { 1858}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     2.500     3.500 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.53920E-02 ppm1      3.874 ppm2      8.666 CV     1
 ASSI { 1859}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.46743E-02 ppm1      3.873 ppm2      8.562 CV     1
 ASSI { 1860}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.500     1.500 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.57017E-03 ppm1      4.063 ppm2      7.827 CV     1
 OR { 1860}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1863}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.900     3.000     1.100 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.45544E-03 ppm1      4.254 ppm2      4.848 CV     1
 ASSI { 1865}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.400     2.400     1.600 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.67484E-03 ppm1      4.078 ppm2      2.838 CV     1
 OR { 1865}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1865}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1865}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1867}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HB1 ))
      4.800     2.900     1.200 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.30742E-03 ppm1      3.869 ppm2      2.900 CV     1
 ASSI { 1868}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.500     2.500     1.500 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.43201E-03 ppm1      3.873 ppm2      2.669 CV     1
 ASSI { 1869}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      4.078 ppm2      1.548 CV     1
 OR { 1869}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1873}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 65   and name HB% )
      4.000     2.000     2.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.57274E-03 ppm1      3.891 ppm2      1.396 CV     1
 ASSI { 1874}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 26   and name HD2%)
      4.200     2.300     1.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.36781E-03 ppm1      4.077 ppm2      0.801 CV     1
 OR { 1874}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1876}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.17266E-03 ppm1      3.892 ppm2      0.198 CV     1
 ASSI { 1877}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.54668E-02 ppm1      4.260 ppm2      7.720 CV     1
 ASSI { 1879}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.72816E-02 ppm1      3.882 ppm2      7.719 CV     1
 ASSI { 1881}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.700     1.700     1.700 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.75979E-03 ppm1      4.027 ppm2      7.957 CV     1
 OR { 1881}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1882}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.17052E-02 ppm1      4.269 ppm2      8.072 CV     1
 ASSI { 1885}
   (( segid "    " and resid 39   and name HA2 ))
   (  segid "    " and resid 40   and name HD% )
      4.800     2.800     1.200 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.30486E-03 ppm1      3.882 ppm2      6.966 CV     1
 ASSI { 1886}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 38   and name HA  ))
      5.400     3.700     0.600 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.23291E-03 ppm1      3.874 ppm2      4.669 CV     1
 ASSI { 1887}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HA  ))
      4.600     2.700     1.400 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.24403E-03 ppm1      3.877 ppm2      4.600 CV     1
 ASSI { 1888}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.94788E-03 ppm1      4.024 ppm2      4.464 CV     1
 OR { 1888}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1889}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.500     2.500     1.500 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.40794E-03 ppm1      4.025 ppm2      3.106 CV     1
 OR { 1889}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1890}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.400     2.500     1.600 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.38905E-03 ppm1      4.025 ppm2      2.760 CV     1
 OR { 1890}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1893}
   (( segid "    " and resid 39   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
      5.300     3.500     0.700 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.20645E-03 ppm1      3.887 ppm2      1.260 CV     1
 ASSI { 1894}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HG2 ))
      4.900     3.000     1.100 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.27193E-03 ppm1      3.879 ppm2      1.766 CV     1
 OR { 1894}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1898}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.11852E-01 ppm1      4.094 ppm2      7.982 CV     1
 OR { 1898}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1899}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.700     2.800     1.300 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.94362E-03 ppm1      4.094 ppm2      8.140 CV     1
 OR { 1899}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1900}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.33558E-02 ppm1      4.094 ppm2      7.468 CV     1
 OR { 1900}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1902}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.500     2.500     1.500 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.41765E-03 ppm1      4.027 ppm2      4.914 CV     1
 OR { 1902}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1903}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.24719E-03 ppm1      4.089 ppm2      4.355 CV     1
 OR { 1903}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1910}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      5.600     3.900     0.400 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.18505E-03 ppm1      3.570 ppm2      7.388 CV     1
 ASSI { 1914}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.700     1.300 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.35532E-03 ppm1      4.014 ppm2      8.294 CV     1
 ASSI { 1915}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.700     2.700     1.300 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.41972E-03 ppm1      2.799 ppm2      6.921 CV     1
 OR { 1915}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1916}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.43681E-03 ppm1      2.800 ppm2      7.214 CV     1
 ASSI { 1917}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.92996E-03 ppm1      4.030 ppm2      7.210 CV     1
 ASSI { 1918}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 35   and name HE% )
      4.100     2.100     1.900 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.33885E-03 ppm1      4.025 ppm2      6.920 CV     1
 OR { 1918}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1919}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.91101E-02 ppm1      4.013 ppm2      4.655 CV     1
 ASSI { 1920}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.85922E-03 ppm1      4.012 ppm2      4.528 CV     1
 ASSI { 1921}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.22981E-02 ppm1      4.030 ppm2      4.951 CV     1
 ASSI { 1922}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.64190E-02 ppm1      3.568 ppm2      4.655 CV     1
 ASSI { 1923}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      4.100     2.100     1.900 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.58175E-03 ppm1      3.565 ppm2      4.529 CV     1
 ASSI { 1924}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.800     1.000     1.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13984E-02 ppm1      2.798 ppm2      4.629 CV     1
 ASSI { 1925}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.29586E-02 ppm1      2.800 ppm2      4.945 CV     1
 ASSI { 1926}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.700     2.800     1.300 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.58574E-03 ppm1      4.023 ppm2      3.312 CV     1
 ASSI { 1928}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HD1 ))
      1.800     0.400     0.400 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.71363E-02 ppm1      2.799 ppm2      4.029 CV     1
 ASSI { 1929}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.500     0.300     0.700 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.20787E-01 ppm1      3.569 ppm2      4.014 CV     1
 ASSI { 1937}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.27198E-03 ppm1      2.798 ppm2      2.014 CV     1
 ASSI { 1940}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.89276E-03 ppm1      2.795 ppm2      1.076 CV     1
 ASSI { 1942}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG12))
      4.600     2.700     1.400 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.38788E-03 ppm1      3.570 ppm2      1.130 CV     1
 ASSI { 1946}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.700     1.700     1.700 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.47737E-03 ppm1      4.038 ppm2      0.881 CV     1
 ASSI { 1947}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG12))
      4.900     2.900     1.100 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.43496E-03 ppm1      4.010 ppm2      1.123 CV     1
 ASSI { 1949}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.600     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.41946E-03 ppm1      4.010 ppm2      0.846 CV     1
 ASSI { 1950}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG11))
      6.000     4.800     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.20065E-03 ppm1      4.015 ppm2      1.525 CV     1
 ASSI { 1951}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG11))
      5.900     4.400     0.100 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.24211E-03 ppm1      3.570 ppm2      1.509 CV     1
 ASSI { 1952}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.300     0.700     0.700 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.28699E-02 ppm1      4.027 ppm2      2.179 CV     1
 ASSI { 1955}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.46474E-02 ppm1      4.364 ppm2      8.249 CV     1
 ASSI { 1957}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.36560E-02 ppm1      4.475 ppm2      7.838 CV     1
 ASSI { 1958}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.000     1.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.26117E-02 ppm1      4.477 ppm2      7.967 CV     1
 ASSI { 1959}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.50253E-02 ppm1      4.748 ppm2      8.918 CV     1
 ASSI { 1962}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.40730E-02 ppm1      5.270 ppm2      2.876 CV     1
 ASSI { 1963}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.52730E-02 ppm1      4.746 ppm2      2.850 CV     1
 ASSI { 1964}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.400     0.700     0.700 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.64474E-02 ppm1      4.746 ppm2      3.291 CV     1
 ASSI { 1971}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.23445E-02 ppm1      5.052 ppm2      8.053 CV     1
 ASSI { 1972}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.17751E-02 ppm1      5.047 ppm2      7.216 CV     1
 ASSI { 1976}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.64223E-02 ppm1      4.711 ppm2      2.772 CV     1
 ASSI { 1980}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     0.600     0.600 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.97465E-02 ppm1      4.313 ppm2      8.469 CV     1
 ASSI { 1981}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.34869E-02 ppm1      4.368 ppm2      8.468 CV     1
 ASSI { 1983}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.400     1.400 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.14777E-02 ppm1      4.462 ppm2      8.279 CV     1
 ASSI { 1984}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.14484E-02 ppm1      4.223 ppm2      7.966 CV     1
 ASSI { 1985}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.55608E-02 ppm1      4.283 ppm2      7.960 CV     1
 ASSI { 1987}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.73537E-03 ppm1      4.370 ppm2      8.575 CV     1
 ASSI { 1989}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.100     2.100     1.900 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.47166E-03 ppm1      4.462 ppm2      7.959 CV     1
 ASSI { 1990}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.63698E-03 ppm1      4.284 ppm2      7.838 CV     1
 ASSI { 1991}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.38188E-02 ppm1      4.285 ppm2      7.759 CV     1
 ASSI { 1992}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.91265E-03 ppm1      4.460 ppm2      7.760 CV     1
 ASSI { 1993}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.47049E-02 ppm1      4.462 ppm2      7.591 CV     1
 ASSI { 1998}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      4.364 ppm2      3.007 CV     1
 ASSI { 2000}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.800     2.900     1.200 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.20116E-03 ppm1      4.462 ppm2      2.540 CV     1
 ASSI { 2001}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.100     2.100     1.900 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.25692E-03 ppm1      4.456 ppm2      2.465 CV     1
 ASSI { 2002}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.300     2.300     1.700 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.44296E-03 ppm1      4.462 ppm2      2.278 CV     1
 ASSI { 2007}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.38229E-02 ppm1      4.311 ppm2      1.781 CV     1
 OR { 2007}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2009}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.300     1.400     1.400 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.17940E-02 ppm1      4.369 ppm2      1.573 CV     1
 ASSI { 2011}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      4.314 ppm2      1.409 CV     1
 ASSI { 2013}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.40479E-02 ppm1      4.366 ppm2      1.236 CV     1
 ASSI { 2014}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.300     2.300     1.700 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.74592E-03 ppm1      4.459 ppm2      0.890 CV     1
 ASSI { 2018}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.44322E-03 ppm1      4.374 ppm2      0.866 CV     1
 ASSI { 2020}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.24501E-02 ppm1      4.316 ppm2      1.069 CV     1
 ASSI { 2026}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.22075E-03 ppm1      3.997 ppm2      0.347 CV     1
 ASSI { 2030}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.35590E-02 ppm1      4.533 ppm2      0.622 CV     1
 OR { 2030}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2031}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.11012E-01 ppm1      4.402 ppm2      1.668 CV     1
 ASSI { 2032}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.34113E-02 ppm1      5.269 ppm2      9.150 CV     1
 ASSI { 2033}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.24024E-02 ppm1      4.530 ppm2      9.425 CV     1
 ASSI { 2034}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.600     0.600 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.96170E-02 ppm1      4.529 ppm2      9.051 CV     1
 ASSI { 2037}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.32893E-02 ppm1      4.541 ppm2      8.605 CV     1
 ASSI { 2038}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.12402E-01 ppm1      4.362 ppm2      9.426 CV     1
 ASSI { 2039}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.26823E-02 ppm1      3.988 ppm2      8.254 CV     1
 ASSI { 2040}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      3.988 ppm2      8.022 CV     1
 ASSI { 2042}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.23197E-02 ppm1      4.320 ppm2      8.492 CV     1
 ASSI { 2044}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.100     1.100 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.26428E-02 ppm1      4.543 ppm2      7.393 CV     1
 ASSI { 2045}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.33441E-02 ppm1      4.277 ppm2      8.207 CV     1
 ASSI { 2046}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.38004E-02 ppm1      4.318 ppm2      8.155 CV     1
 ASSI { 2047}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.27280E-02 ppm1      4.359 ppm2      8.151 CV     1
 ASSI { 2048}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.13110E-02 ppm1      5.268 ppm2      7.471 CV     1
 ASSI { 2049}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.20530E-02 ppm1      5.267 ppm2      7.123 CV     1
 ASSI { 2052}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.400     0.700     0.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.87145E-02 ppm1      4.543 ppm2      2.847 CV     1
 ASSI { 2053}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.77815E-02 ppm1      4.544 ppm2      2.731 CV     1
 ASSI { 2058}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.68992E-03 ppm1      4.407 ppm2      8.210 CV     1
 ASSI { 2059}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.99918E-03 ppm1      4.406 ppm2      8.412 CV     1
 ASSI { 2062}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.42974E-03 ppm1      4.354 ppm2      4.903 CV     1
 ASSI { 2066}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.400     1.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.67424E-03 ppm1      4.399 ppm2      2.160 CV     1
 ASSI { 2067}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.100     2.100     1.900 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.40806E-03 ppm1      4.407 ppm2      2.386 CV     1
 ASSI { 2069}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.400     2.400     1.600 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.55018E-03 ppm1      4.323 ppm2      2.599 CV     1
 ASSI { 2070}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.400     2.400     1.600 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.38627E-03 ppm1      4.400 ppm2      2.610 CV     1
 ASSI { 2071}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.700     1.700     1.700 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.85916E-03 ppm1      4.272 ppm2      2.751 CV     1
 ASSI { 2073}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.100     2.100     1.900 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.86020E-03 ppm1      4.320 ppm2      2.446 CV     1
 ASSI { 2074}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.30793E-02 ppm1      4.317 ppm2      2.340 CV     1
 ASSI { 2075}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.000     1.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      4.316 ppm2      2.210 CV     1
 ASSI { 2076}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.100     2.100     1.900 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.15638E-02 ppm1      4.277 ppm2      2.481 CV     1
 ASSI { 2077}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      4.276 ppm2      2.364 CV     1
 ASSI { 2079}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.400     0.700     0.700 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.65534E-02 ppm1      4.529 ppm2      1.574 CV     1
 OR { 2079}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2081}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.43420E-02 ppm1      4.531 ppm2      1.379 CV     1
 ASSI { 2083}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.100     1.100 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.37890E-02 ppm1      4.359 ppm2      1.484 CV     1
 ASSI { 2084}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.12213E-01 ppm1      4.276 ppm2      1.650 CV     1
 ASSI { 2090}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.34760E-02 ppm1      3.955 ppm2      8.743 CV     1
 ASSI { 2091}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.15952E-02 ppm1      3.955 ppm2      8.421 CV     1
 ASSI { 2092}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.94542E-03 ppm1      3.953 ppm2      8.202 CV     1
 ASSI { 2093}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.40437E-02 ppm1      4.472 ppm2      8.491 CV     1
 ASSI { 2094}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.29901E-02 ppm1      4.220 ppm2      8.276 CV     1
 ASSI { 2097}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.600     1.600     1.600 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.63534E-03 ppm1      4.218 ppm2      7.836 CV     1
 ASSI { 2098}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      4.200     2.200     1.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.42245E-03 ppm1      4.211 ppm2      7.767 CV     1
 ASSI { 2099}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.23574E-02 ppm1      4.388 ppm2      7.847 CV     1
 ASSI { 2100}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.37760E-02 ppm1      4.388 ppm2      7.753 CV     1
 ASSI { 2102}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.77946E-03 ppm1      4.464 ppm2      7.389 CV     1
 ASSI { 2105}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.400     0.700     0.700 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.66321E-02 ppm1      4.463 ppm2      2.838 CV     1
 ASSI { 2106}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.57050E-02 ppm1      4.464 ppm2      2.742 CV     1
 ASSI { 2107}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.000     1.100     1.100 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.29918E-02 ppm1      4.473 ppm2      2.398 CV     1
 OR { 2107}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2109}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.48545E-02 ppm1      4.472 ppm2      2.230 CV     1
 ASSI { 2110}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.900     1.100     1.100 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.26900E-02 ppm1      4.389 ppm2      2.126 CV     1
 ASSI { 2111}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.25897E-02 ppm1      4.471 ppm2      2.072 CV     1
 ASSI { 2112}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.800     1.800     1.800 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.11331E-02 ppm1      4.387 ppm2      2.531 CV     1
 ASSI { 2113}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.500     1.500     1.500 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.18095E-02 ppm1      4.388 ppm2      2.456 CV     1
 ASSI { 2119}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      2.900     1.100     1.100 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.24001E-02 ppm1      4.218 ppm2      1.839 CV     1
 ASSI { 2120}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      3.800     1.800     1.800 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.93029E-03 ppm1      4.390 ppm2      1.603 CV     1
 ASSI { 2126}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.200     0.600     0.600 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.12019E-01 ppm1      4.219 ppm2      0.982 CV     1
 OR { 2126}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2127}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.200     2.200     1.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.59650E-03 ppm1      4.220 ppm2      0.877 CV     1
 ASSI { 2130}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.27922E-02 ppm1      4.488 ppm2      3.093 CV     1
 ASSI { 2131}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.600     0.600 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.84004E-02 ppm1      4.584 ppm2      7.973 CV     1
 ASSI { 2137}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      2.000     0.500     0.500 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.10751E-01 ppm1      4.948 ppm2      4.630 CV     1
 ASSI { 2139}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.60481E-02 ppm1      4.746 ppm2      1.063 CV     1
 ASSI { 2143}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.39503E-02 ppm1      4.745 ppm2      1.768 CV     1
 OR { 2143}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2148}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.300     0.700     0.700 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.48599E-02 ppm1      4.746 ppm2      3.285 CV     1
 ASSI { 2149}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.700     0.900     0.900 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.25002E-02 ppm1      4.740 ppm2      3.014 CV     1
 ASSI { 2151}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.23067E-02 ppm1      4.397 ppm2      8.403 CV     1
 ASSI { 2152}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.15415E-02 ppm1      4.489 ppm2      8.881 CV     1
 ASSI { 2153}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.36976E-02 ppm1      4.489 ppm2      8.689 CV     1
 ASSI { 2154}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.35029E-02 ppm1      3.899 ppm2      8.451 CV     1
 ASSI { 2155}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      4.281 ppm2      8.282 CV     1
 ASSI { 2159}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.000     1.100     1.100 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.19976E-02 ppm1      4.582 ppm2      6.975 CV     1
 ASSI { 2160}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      4.100     2.100     1.900 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.77137E-03 ppm1      4.489 ppm2      7.671 CV     1
 ASSI { 2161}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.400     1.400 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.11947E-02 ppm1      4.487 ppm2      7.997 CV     1
 ASSI { 2162}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.700     1.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      4.489 ppm2      8.414 CV     1
 ASSI { 2165}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.11110E-02 ppm1      4.213 ppm2      8.840 CV     1
 ASSI { 2169}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.20492E-02 ppm1      3.308 ppm2      7.522 CV     1
 ASSI { 2170}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.700     1.700 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      3.304 ppm2      7.312 CV     1
 ASSI { 2172}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.94171E-03 ppm1      3.899 ppm2      6.967 CV     1
 ASSI { 2173}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.300     1.300     1.300 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      3.898 ppm2      6.751 CV     1
 ASSI { 2176}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.31069E-02 ppm1      3.900 ppm2      4.413 CV     1
 ASSI { 2181}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.32969E-02 ppm1      3.307 ppm2      2.239 CV     1
 ASSI { 2182}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.57973E-02 ppm1      3.307 ppm2      2.015 CV     1
 ASSI { 2183}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.82141E-03 ppm1      3.306 ppm2      1.865 CV     1
 ASSI { 2185}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.700     1.700     1.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.85097E-03 ppm1      3.305 ppm2      1.325 CV     1
 ASSI { 2186}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.900     0.900 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.21667E-02 ppm1      3.309 ppm2      1.198 CV     1
 ASSI { 2196}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.16379E-02 ppm1      4.211 ppm2      1.896 CV     1
 ASSI { 2199}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.28820E-02 ppm1      4.396 ppm2      1.989 CV     1
 ASSI { 2200}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.000     1.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.22533E-02 ppm1      4.395 ppm2      1.876 CV     1
 ASSI { 2203}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.64780E-02 ppm1      4.488 ppm2      2.732 CV     1
 ASSI { 2204}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.30610E-02 ppm1      3.307 ppm2      1.030 CV     1
 ASSI { 2206}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.800     1.800     1.800 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.14441E-02 ppm1      3.307 ppm2      0.781 CV     1
 ASSI { 2209}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.100     1.100 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.14452E-02 ppm1      4.212 ppm2      0.865 CV     1
 ASSI { 2210}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.300     1.300 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.15191E-02 ppm1      4.212 ppm2      0.623 CV     1
 OR { 2210}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2216}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.13322E-02 ppm1      4.399 ppm2      0.887 CV     1
 ASSI { 2217}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.82688E-02 ppm1      4.397 ppm2      0.759 CV     1
 ASSI { 2220}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.100     1.100 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.33681E-02 ppm1      4.397 ppm2      1.442 CV     1
 ASSI { 2222}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.500     1.600     1.600 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.62617E-03 ppm1      4.484 ppm2      1.696 CV     1
 ASSI { 2226}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.41727E-02 ppm1      3.899 ppm2      0.201 CV     1
 ASSI { 2227}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.33429E-02 ppm1      4.357 ppm2      9.554 CV     1
 ASSI { 2228}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.600     1.600 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.83316E-03 ppm1      3.895 ppm2      8.877 CV     1
 ASSI { 2230}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.38820E-02 ppm1      4.095 ppm2      8.093 CV     1
 ASSI { 2233}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      4.273 ppm2      7.777 CV     1
 ASSI { 2235}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.47270E-02 ppm1      4.239 ppm2      8.124 CV     1
 ASSI { 2238}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.30448E-02 ppm1      4.233 ppm2      8.498 CV     1
 ASSI { 2241}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.98487E-03 ppm1      4.242 ppm2      8.686 CV     1
 ASSI { 2245}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.81726E-03 ppm1      4.357 ppm2      8.070 CV     1
 ASSI { 2247}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.88134E-03 ppm1      4.353 ppm2      7.549 CV     1
 ASSI { 2252}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.100     1.200     1.200 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.21290E-02 ppm1      4.234 ppm2      2.596 CV     1
 ASSI { 2253}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.200     1.200     1.200 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.34128E-02 ppm1      4.242 ppm2      2.643 CV     1
 ASSI { 2256}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.500     1.600     1.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.27049E-02 ppm1      4.207 ppm2      2.623 CV     1
 ASSI { 2257}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.900     1.000     1.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.39842E-02 ppm1      4.356 ppm2      2.483 CV     1
 OR { 2257}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 2258}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.45533E-02 ppm1      4.355 ppm2      2.255 CV     1
 ASSI { 2261}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.700     0.900     0.900 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.49571E-02 ppm1      4.208 ppm2      2.388 CV     1
 ASSI { 2263}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     0.900     0.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.61054E-02 ppm1      4.204 ppm2      2.138 CV     1
 ASSI { 2264}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.59929E-02 ppm1      4.239 ppm2      2.015 CV     1
 ASSI { 2265}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.52015E-02 ppm1      4.098 ppm2      1.887 CV     1
 ASSI { 2266}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.800     0.800 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.35527E-02 ppm1      4.096 ppm2      1.595 CV     1
 ASSI { 2269}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.100     1.200     1.200 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.26157E-02 ppm1      3.895 ppm2      1.696 CV     1
 ASSI { 2270}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.100     1.200     1.200 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.28999E-02 ppm1      4.240 ppm2      1.741 CV     1
 ASSI { 2273}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.44041E-02 ppm1      4.357 ppm2      2.131 CV     1
 ASSI { 2276}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.300     1.300 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      4.205 ppm2      1.044 CV     1
 ASSI { 2277}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.36557E-02 ppm1      4.095 ppm2      1.357 CV     1
 ASSI { 2278}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      4.095 ppm2      0.969 CV     1
 ASSI { 2281}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.300     1.300 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.20813E-02 ppm1      3.895 ppm2      0.601 CV     1
 ASSI { 2282}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.11335E-01 ppm1      4.675 ppm2      8.483 CV     1
 ASSI { 2285}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.45093E-02 ppm1      4.769 ppm2      8.841 CV     1
 ASSI { 2289}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.25894E-02 ppm1      4.692 ppm2      8.139 CV     1
 ASSI { 2290}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.58514E-02 ppm1      4.675 ppm2      2.137 CV     1
 ASSI { 2301}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.38065E-02 ppm1      4.260 ppm2      8.919 CV     1
 ASSI { 2302}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.16476E-02 ppm1      4.260 ppm2      8.451 CV     1
 ASSI { 2304}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.27997E-02 ppm1      4.301 ppm2      8.233 CV     1
 ASSI { 2305}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.33069E-02 ppm1      4.110 ppm2      8.948 CV     1
 ASSI { 2306}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.33338E-02 ppm1      3.522 ppm2      8.841 CV     1
 ASSI { 2307}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.29647E-02 ppm1      3.609 ppm2      8.995 CV     1
 ASSI { 2308}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.15337E-02 ppm1      3.609 ppm2      8.731 CV     1
 ASSI { 2310}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.40331E-02 ppm1      4.032 ppm2      7.980 CV     1
 ASSI { 2314}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.40347E-02 ppm1      4.573 ppm2      4.142 CV     1
 ASSI { 2315}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.64851E-02 ppm1      4.570 ppm2      4.051 CV     1
 ASSI { 2316}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.71128E-03 ppm1      4.032 ppm2      8.478 CV     1
 ASSI { 2317}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.53421E-03 ppm1      4.030 ppm2      8.220 CV     1
 ASSI { 2320}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.85059E-03 ppm1      4.260 ppm2      7.775 CV     1
 ASSI { 2321}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.86255E-03 ppm1      3.611 ppm2      7.836 CV     1
 ASSI { 2322}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.31758E-03 ppm1      3.612 ppm2      7.714 CV     1
 ASSI { 2324}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.86905E-03 ppm1      3.524 ppm2      7.214 CV     1
 ASSI { 2325}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.88304E-03 ppm1      3.525 ppm2      8.406 CV     1
 ASSI { 2329}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.200     0.600     0.600 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.11065E-01 ppm1      4.300 ppm2      4.015 CV     1
 ASSI { 2330}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.200     1.300     1.300 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      4.301 ppm2      3.197 CV     1
 ASSI { 2331}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.36429E-02 ppm1      4.110 ppm2      2.761 CV     1
 ASSI { 2333}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.45232E-02 ppm1      4.110 ppm2      2.477 CV     1
 ASSI { 2334}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     0.700     0.700 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.61491E-02 ppm1      4.110 ppm2      2.347 CV     1
 OR { 2334}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2335}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.96799E-02 ppm1      4.033 ppm2      2.029 CV     1
 OR { 2335}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 2336}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.000     1.100     1.100 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.30958E-02 ppm1      4.031 ppm2      1.921 CV     1
 ASSI { 2340}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.47531E-02 ppm1      4.109 ppm2      0.922 CV     1
 ASSI { 2341}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.75996E-03 ppm1      4.110 ppm2      0.813 CV     1
 ASSI { 2342}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.600     0.800     0.800 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.43297E-02 ppm1      4.032 ppm2      1.119 CV     1
 ASSI { 2343}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.400     1.700 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.79607E-03 ppm1      4.031 ppm2      1.031 CV     1
 ASSI { 2347}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.34569E-02 ppm1      3.609 ppm2      1.864 CV     1
 ASSI { 2348}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.31156E-02 ppm1      3.610 ppm2      2.192 CV     1
 ASSI { 2349}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.68025E-02 ppm1      3.522 ppm2      2.038 CV     1
 OR { 2349}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2351}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.24233E-02 ppm1      3.523 ppm2      0.895 CV     1
 ASSI { 2352}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.200     1.300     1.300 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.15592E-02 ppm1      3.518 ppm2      0.796 CV     1
 ASSI { 2354}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.17449E-02 ppm1      3.610 ppm2      0.785 CV     1
 ASSI { 2355}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.12688E-02 ppm1      3.609 ppm2      1.029 CV     1
 ASSI { 2358}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.100     1.200     1.200 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.39585E-02 ppm1      3.610 ppm2      0.456 CV     1
 ASSI { 2359}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.16159E-02 ppm1      4.261 ppm2      0.363 CV     1
 ASSI { 2360}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.600     1.600 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.69396E-03 ppm1      4.257 ppm2      0.196 CV     1
 ASSI { 2362}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.12987E-02 ppm1      4.378 ppm2      8.121 CV     1
 ASSI { 2363}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.47404E-02 ppm1      4.380 ppm2      8.025 CV     1
 ASSI { 2365}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.600     0.600 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.10568E-01 ppm1      4.478 ppm2      9.151 CV     1
 ASSI { 2367}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      4.513 ppm2      8.245 CV     1
 ASSI { 2369}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.14025E-02 ppm1      4.477 ppm2      7.472 CV     1
 ASSI { 2373}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.44089E-02 ppm1      4.477 ppm2      2.405 CV     1
 ASSI { 2374}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      4.478 ppm2      2.282 CV     1
 ASSI { 2375}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.900     3.100     1.100 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.91614E-03 ppm1      4.487 ppm2      3.019 CV     1
 ASSI { 2381}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.12212E-01 ppm1      4.528 ppm2      8.823 CV     1
 ASSI { 2383}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.500     0.500 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.18190E-01 ppm1      4.389 ppm2      8.150 CV     1
 ASSI { 2384}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.11015E-01 ppm1      4.331 ppm2      8.608 CV     1
 ASSI { 2387}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.58547E-02 ppm1      4.108 ppm2      8.026 CV     1
 OR { 2387}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2388}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.83403E-03 ppm1      4.376 ppm2      9.548 CV     1
 ASSI { 2391}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.200     0.600     0.600 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.58301E-02 ppm1      4.381 ppm2      7.121 CV     1
 ASSI { 2396}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.28427E-02 ppm1      4.380 ppm2      3.599 CV     1
 ASSI { 2397}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.15105E-01 ppm1      4.105 ppm2      4.379 CV     1
 OR { 2397}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2398}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.36681E-02 ppm1      4.109 ppm2      4.230 CV     1
 OR { 2398}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2399}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.100     1.000 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.35441E-03 ppm1      4.333 ppm2      2.874 CV     1
 ASSI { 2400}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.000     1.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.80311E-03 ppm1      4.382 ppm2      2.786 CV     1
 ASSI { 2401}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.200     2.300     1.800 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.55285E-03 ppm1      4.328 ppm2      2.756 CV     1
 ASSI { 2403}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.200     1.200 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      4.378 ppm2      3.093 CV     1
 ASSI { 2407}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     0.900     0.900 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.49394E-02 ppm1      4.389 ppm2      1.378 CV     1
 ASSI { 2408}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      1.900     0.500     0.500 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.42616E-02 ppm1      4.383 ppm2      1.550 CV     1
 ASSI { 2409}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      2.800     1.000     1.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.28863E-02 ppm1      4.379 ppm2      1.828 CV     1
 ASSI { 2415}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.25492E-02 ppm1      4.034 ppm2      8.233 CV     1
 ASSI { 2419}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.34175E-02 ppm1      3.804 ppm2      8.480 CV     1
 ASSI { 2420}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.30946E-02 ppm1      3.753 ppm2      8.481 CV     1
 ASSI { 2421}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      3.745 ppm2      8.885 CV     1
 ASSI { 2422}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.400     2.400     1.600 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.70505E-03 ppm1      4.521 ppm2      8.600 CV     1
 ASSI { 2423}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.300     2.300     1.700 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.12306E-02 ppm1      4.033 ppm2      8.565 CV     1
 ASSI { 2424}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.13390E-02 ppm1      3.976 ppm2      8.562 CV     1
 ASSI { 2426}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.65621E-03 ppm1      3.804 ppm2      8.300 CV     1
 ASSI { 2428}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.47559E-03 ppm1      4.138 ppm2      6.751 CV     1
 ASSI { 2429}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.55701E-03 ppm1      4.055 ppm2      6.753 CV     1
 ASSI { 2432}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.36712E-02 ppm1      3.803 ppm2      4.826 CV     1
 ASSI { 2433}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.28495E-02 ppm1      3.752 ppm2      4.829 CV     1
 ASSI { 2436}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.400     1.600 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.29262E-03 ppm1      3.741 ppm2      4.269 CV     1
 ASSI { 2438}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.97416E-02 ppm1      3.977 ppm2      4.300 CV     1
 ASSI { 2444}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.100     0.500     0.500 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.90522E-02 ppm1      4.527 ppm2      2.543 CV     1
 ASSI { 2446}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
      2.900     1.100     1.100 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.33993E-02 ppm1      4.526 ppm2      2.111 CV     1
 OR { 2446}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2449}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      3.900     1.900     1.900 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.45052E-03 ppm1      4.060 ppm2      2.347 CV     1
 ASSI { 2454}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.200     1.300     1.300 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.21022E-02 ppm1      3.745 ppm2      1.745 CV     1
 ASSI { 2455}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      3.744 ppm2      1.630 CV     1
 ASSI { 2460}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.400     1.700 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.31988E-03 ppm1      4.143 ppm2      1.120 CV     1
 ASSI { 2461}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.46413E-03 ppm1      4.054 ppm2      1.125 CV     1
 ASSI { 2462}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.38390E-02 ppm1      4.346 ppm2      8.919 CV     1
 ASSI { 2463}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.27848E-02 ppm1      4.180 ppm2      8.918 CV     1
 ASSI { 2464}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.39856E-02 ppm1      3.937 ppm2      8.469 CV     1
 ASSI { 2465}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.400     1.400 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.11639E-02 ppm1      3.805 ppm2      8.258 CV     1
 ASSI { 2466}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.41875E-03 ppm1      4.233 ppm2      8.730 CV     1
 ASSI { 2467}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.300     1.300 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.13613E-02 ppm1      4.232 ppm2      7.719 CV     1
 ASSI { 2468}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.67085E-03 ppm1      4.226 ppm2      8.995 CV     1
 ASSI { 2471}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.72800E-03 ppm1      3.805 ppm2      7.511 CV     1
 ASSI { 2473}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.100     0.600     0.600 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.54280E-02 ppm1      4.230 ppm2      6.893 CV     1
 ASSI { 2475}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      4.300     2.300     1.700 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.53401E-03 ppm1      4.350 ppm2      3.469 CV     1
 ASSI { 2476}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      4.800     2.900     1.200 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.58306E-03 ppm1      4.183 ppm2      3.474 CV     1
 ASSI { 2478}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
      3.600     1.600     1.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.97875E-03 ppm1      3.803 ppm2      3.256 CV     1
 OR { 2478}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 2481}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.50438E-02 ppm1      4.232 ppm2      2.249 CV     1
 ASSI { 2482}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.100     1.100 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.24745E-02 ppm1      4.229 ppm2      2.016 CV     1
 ASSI { 2484}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.300     2.400     1.700 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.27998E-03 ppm1      3.934 ppm2      1.999 CV     1
 ASSI { 2487}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.14882E-02 ppm1      3.804 ppm2      1.861 CV     1
 ASSI { 2488}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.15723E-02 ppm1      3.804 ppm2      1.752 CV     1
 OR { 2488}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2490}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.300     2.300     1.700 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      3.936 ppm2      1.433 CV     1
 ASSI { 2491}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.20669E-02 ppm1      4.230 ppm2      1.696 CV     1
 ASSI { 2492}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.700     1.700     1.700 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.14073E-02 ppm1      4.232 ppm2      1.329 CV     1
 ASSI { 2494}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      4.232 ppm2      0.989 CV     1
 ASSI { 2498}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.600     1.600     1.600 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.94657E-03 ppm1      3.939 ppm2      0.793 CV     1
 ASSI { 2500}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.700     0.700 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.82529E-02 ppm1      3.804 ppm2      1.008 CV     1
 ASSI { 2501}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.45309E-03 ppm1      4.232 ppm2      0.453 CV     1
 ASSI { 2503}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.58088E-03 ppm1      3.868 ppm2      8.246 CV     1
 ASSI { 2504}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.95466E-03 ppm1      3.865 ppm2      8.067 CV     1
 ASSI { 2505}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.300     1.300 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.79945E-03 ppm1      3.868 ppm2      7.338 CV     1
 ASSI { 2508}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.19783E-02 ppm1      3.867 ppm2      2.332 CV     1
 ASSI { 2509}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.16623E-02 ppm1      3.866 ppm2      1.568 CV     1
 ASSI { 2511}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      3.867 ppm2      1.130 CV     1
 ASSI { 2514}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.600     1.700     1.700 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.10264E-02 ppm1      3.867 ppm2      0.458 CV     1
 ASSI { 2517}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.88844E-03 ppm1      3.956 ppm2      8.122 CV     1
 ASSI { 2518}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.30824E-02 ppm1      4.419 ppm2      8.745 CV     1
 ASSI { 2520}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.58000E-03 ppm1      3.958 ppm2      8.749 CV     1
 ASSI { 2521}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.400     2.500     1.600 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.34116E-03 ppm1      3.958 ppm2      8.430 CV     1
 ASSI { 2528}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.100     2.100     1.900 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.51849E-03 ppm1      3.954 ppm2      3.298 CV     1
 ASSI { 2534}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.300     0.700     0.700 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.53459E-02 ppm1      4.419 ppm2      1.123 CV     1
 ASSI { 2536}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.51517E-02 ppm1      3.957 ppm2      1.124 CV     1
 ASSI { 2537}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.37240E-02 ppm1      4.227 ppm2      8.140 CV     1
 ASSI { 2538}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1      4.226 ppm2      8.609 CV     1
 ASSI { 2539}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.73821E-02 ppm1      4.226 ppm2      4.339 CV     1
 ASSI { 2544}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.85545E-02 ppm1      4.374 ppm2      4.505 CV     1
 ASSI { 2546}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     0.800     0.800 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.68047E-02 ppm1      4.183 ppm2      1.379 CV     1
 ASSI { 2548}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.600     0.600 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.10721E-01 ppm1      4.184 ppm2      4.385 CV     1
 ASSI { 2550}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.400     1.400     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.25066E-02 ppm1      4.624 ppm2      4.032 CV     1
 ASSI { 2555}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.52876E-03 ppm1      6.754 ppm2      1.259 CV     1
 ASSI { 2559}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.48585E-03 ppm1      6.753 ppm2      0.197 CV     1
 ASSI { 2563}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.35326E-03 ppm1      6.818 ppm2      2.218 CV     1
 ASSI { 2565}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.95132E-03 ppm1      6.816 ppm2      1.886 CV     1
 ASSI { 2568}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.500     1.500 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.88358E-03 ppm1      6.754 ppm2      1.428 CV     1
 ASSI { 2569}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      3.800     1.800     1.800 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.60038E-03 ppm1      6.753 ppm2      1.985 CV     1
 ASSI { 2570}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.900     1.900     1.900 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.10211E-02 ppm1      6.755 ppm2      1.829 CV     1
 ASSI { 2571}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.900     1.900     1.900 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.51899E-03 ppm1      6.759 ppm2      2.457 CV     1
 ASSI { 2573}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.92128E-03 ppm1      6.817 ppm2      3.454 CV     1
 ASSI { 2574}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD1 ))
      2.900     1.100     1.100 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.13272E-02 ppm1      6.816 ppm2      3.093 CV     1
 ASSI { 2575}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.600     2.600     1.400 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.51309E-03 ppm1      6.756 ppm2      3.019 CV     1
 ASSI { 2577}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.300     2.400     1.700 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.87501E-03 ppm1      6.817 ppm2      2.795 CV     1
 ASSI { 2578}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.500     2.500     1.500 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.56094E-03 ppm1      6.756 ppm2      2.779 CV     1
 ASSI { 2579}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      4.200     2.200     1.800 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.73171E-03 ppm1      6.816 ppm2      2.693 CV     1
 ASSI { 2580}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.41259E-03 ppm1      6.753 ppm2      4.589 CV     1
 ASSI { 2582}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      6.817 ppm2      4.317 CV     1
 ASSI { 2583}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.100     3.100     2.900 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.57088E-03 ppm1      6.817 ppm2      4.701 CV     1
 ASSI { 2584}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.78929E-03 ppm1      6.815 ppm2      4.532 CV     1
 ASSI { 2587}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      1.900     0.500     0.500 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.20175E-01 ppm1      6.817 ppm2      7.433 CV     1
 ASSI { 2588}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 40   and name HD% )
      1.900     0.400     0.400 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.18001E-01 ppm1      6.754 ppm2      6.970 CV     1
 ASSI { 2592}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.36733E-03 ppm1      6.883 ppm2      1.688 CV     1
 ASSI { 2597}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.300     1.700 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.27109E-03 ppm1      7.346 ppm2      0.456 CV     1
 ASSI { 2600}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      4.000     2.000     2.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.74466E-03 ppm1      7.342 ppm2      1.385 CV     1
 ASSI { 2601}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.57312E-03 ppm1      7.348 ppm2      1.135 CV     1
 ASSI { 2603}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HG  ))
      4.400     2.500     1.600 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.30928E-03 ppm1      7.343 ppm2      1.884 CV     1
 ASSI { 2604}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.300     1.300     1.300 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.40584E-03 ppm1      7.350 ppm2      2.329 CV     1
 ASSI { 2605}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.37128E-03 ppm1      7.339 ppm2      3.524 CV     1
 ASSI { 2606}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 30   and name HE% )
      2.400     0.700     0.700 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.39505E-02 ppm1      7.343 ppm2      7.217 CV     1
 ASSI { 2608}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      2.800     1.000     1.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      6.933 ppm2      1.209 CV     1
 ASSI { 2613}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.54859E-03 ppm1      6.929 ppm2      0.366 CV     1
 ASSI { 2620}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.41732E-03 ppm1      7.121 ppm2      0.764 CV     1
 ASSI { 2626}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD1%)
      3.900     1.900     1.900 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.51721E-03 ppm1      7.215 ppm2      0.702 CV     1
 ASSI { 2627}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.400     1.400 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      7.214 ppm2      0.458 CV     1
 ASSI { 2630}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.73958E-03 ppm1      6.932 ppm2      1.693 CV     1
 ASSI { 2633}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      3.000     1.100     1.100 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      7.216 ppm2      2.241 CV     1
 ASSI { 2640}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.900     1.200 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.34005E-03 ppm1      7.213 ppm2      3.017 CV     1
 ASSI { 2641}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      4.500     2.500     1.500 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.60399E-03 ppm1      6.930 ppm2      3.093 CV     1
 ASSI { 2645}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      4.600     2.700     1.400 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.45765E-03 ppm1      6.931 ppm2      3.603 CV     1
 ASSI { 2649}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.13032E-02 ppm1      6.928 ppm2      4.230 CV     1
 ASSI { 2651}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      5.000     3.100     1.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.23209E-03 ppm1      6.930 ppm2      5.265 CV     1
 ASSI { 2652}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 35   and name HE% )
      2.100     0.500     0.500 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.85933E-02 ppm1      7.121 ppm2      6.923 CV     1
 OR { 2652}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 2653}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 35   and name HD% )
      2.100     0.600     0.600 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.67042E-02 ppm1      6.931 ppm2      7.121 CV     1
 ASSI { 2654}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      1.900     0.400     0.400 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.17892E-01 ppm1      7.215 ppm2      7.321 CV     1
 OR { 2654}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2658}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.17012E-02 ppm1      7.310 ppm2      1.374 CV     1
 ASSI { 2663}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      3.600     1.600     1.600 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.48302E-03 ppm1      6.971 ppm2      1.379 CV     1
 ASSI { 2664}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 24   and name HG2%)
      4.200     2.300     1.800 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.33297E-03 ppm1      6.974 ppm2      1.271 CV     1
 ASSI { 2667}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.76110E-03 ppm1      6.970 ppm2      0.765 CV     1
 ASSI { 2668}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.700     1.700 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.38570E-03 ppm1      6.974 ppm2      0.370 CV     1
 ASSI { 2670}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.200     1.200 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      7.307 ppm2      2.021 CV     1
 ASSI { 2671}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HB  ))
      4.000     2.000     2.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.47125E-03 ppm1      6.968 ppm2      2.456 CV     1
 ASSI { 2672}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.300     0.600     0.600 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.25031E-02 ppm1      6.972 ppm2      1.825 CV     1
 ASSI { 2678}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.36356E-02 ppm1      6.974 ppm2      2.781 CV     1
 ASSI { 2683}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.300     1.700 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.60650E-03 ppm1      7.313 ppm2      4.738 CV     1
 ASSI { 2684}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.47860E-03 ppm1      7.312 ppm2      4.359 CV     1
 ASSI { 2685}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.88353E-03 ppm1      7.309 ppm2      4.849 CV     1
 ASSI { 2687}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 30   and name HE% )
      1.900     0.500     0.500 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.13690E-01 ppm1      7.309 ppm2      7.203 CV     1
 ASSI { 2692}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      4.200     2.200     1.800 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.44152E-03 ppm1      6.972 ppm2      7.970 CV     1
 ASSI { 2695}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1      7.436 ppm2      4.694 CV     1
 ASSI { 2700}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.78132E-03 ppm1      7.437 ppm2      1.887 CV     1
 ASSI { 2702}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 3    and name HG2%)
      3.700     1.700     1.700 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.72008E-03 ppm1      7.434 ppm2      1.402 CV     1
 ASSI { 2703}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
      3.200     1.300     1.300 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.34365E-02 ppm1      7.435 ppm2      1.016 CV     1
 ASSI { 2705}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.34657E-03 ppm1      7.430 ppm2      2.224 CV     1
 ASSI {    4}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.68768E-03 ppm1      6.890 ppm2      1.516 CV     1
 ASSI {    5}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      6.893 ppm2      0.778 CV     1
 OR {    5}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {    5}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {    7}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.200     2.200     1.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.70527E-03 ppm1      9.074 ppm2      1.854 CV     1
 ASSI {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      9.073 ppm2      1.634 CV     1
 ASSI {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.900     1.900     1.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.83955E-03 ppm1      9.074 ppm2      1.517 CV     1
 ASSI {   10}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.35601E-03 ppm1      9.074 ppm2      1.035 CV     1
 ASSI {   11}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.42595E-03 ppm1      9.077 ppm2      0.784 CV     1
 ASSI {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
      2.600     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.32397E-02 ppm1      9.073 ppm2      6.899 CV     1
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI {   15}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.44893E-03 ppm1      7.322 ppm2      4.622 CV     1
 ASSI {   18}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.400     1.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.98017E-03 ppm1      7.322 ppm2      1.399 CV     1
 ASSI {   20}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.89664E-03 ppm1      7.324 ppm2      2.041 CV     1
 OR {   20}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.700     1.800     1.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.52466E-03 ppm1      8.011 ppm2      2.171 CV     1
 ASSI {   22}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.000     2.000     2.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38158E-03 ppm1      8.006 ppm2      1.939 CV     1
 ASSI {   23}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.600     2.600     1.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.25444E-03 ppm1      8.008 ppm2      1.860 CV     1
 ASSI {   24}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.700     1.700     1.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.37998E-03 ppm1      8.016 ppm2      1.620 CV     1
 ASSI {   26}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.90576E-03 ppm1      8.007 ppm2      3.347 CV     1
 ASSI {   27}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.46946E-03 ppm1      7.514 ppm2      2.027 CV     1
 OR {   27}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   28}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.200     2.200     1.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.42468E-03 ppm1      7.518 ppm2      1.919 CV     1
 ASSI {   29}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.29163E-03 ppm1      7.516 ppm2      1.704 CV     1
 ASSI {   32}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.200     3.400     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.31571E-03 ppm1      7.565 ppm2      2.216 CV     1
 ASSI {   33}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.40386E-03 ppm1      7.567 ppm2      2.006 CV     1
 OR {   33}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   34}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.100     2.100     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.25842E-03 ppm1      7.570 ppm2      1.744 CV     1
 ASSI {   35}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.400     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.90685E-03 ppm1      7.517 ppm2      3.367 CV     1
 ASSI {   36}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.300     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      7.516 ppm2      3.308 CV     1
 ASSI {   38}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.43609E-03 ppm1      7.421 ppm2      2.067 CV     1
 ASSI {   39}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.400     2.400     1.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.31050E-03 ppm1      7.411 ppm2      1.861 CV     1
 ASSI {   41}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 64   and name HA  ))
      4.700     2.700     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.14659E-03 ppm1      7.413 ppm2      3.800 CV     1
 ASSI {   42}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 9    and name HA  ))
      5.000     3.100     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.15361E-03 ppm1      7.511 ppm2      4.551 CV     1
 ASSI {   43}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.700     1.700     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.46843E-03 ppm1      7.184 ppm2      1.355 CV     1
 ASSI {   44}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.900     1.900     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.31336E-03 ppm1      7.182 ppm2      0.960 CV     1
 ASSI {   45}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.900     1.900     1.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35319E-03 ppm1      7.184 ppm2      3.095 CV     1
 ASSI {   46}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.100     2.100     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.27448E-03 ppm1      7.182 ppm2      3.009 CV     1
 ASSI {   57}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.600     1.700     1.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.57689E-03 ppm1      8.020 ppm2      4.540 CV     1
 ASSI {   60}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.800     2.900     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.43989E-03 ppm1      8.021 ppm2      7.291 CV     1
 ASSI {   67}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.600     2.600     1.400 peak    67 spectrum    1 weight  0.10000E+01 volume  0.18914E-03 ppm1      8.248 ppm2      1.045 CV     1
 ASSI {   68}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.100     3.200     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.22999E-03 ppm1      8.253 ppm2      2.843 CV     1
 OR {   68}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {   70}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.300     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10259E-01 ppm1      8.249 ppm2      4.062 CV     1
 OR {   70}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {   71}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.71265E-03 ppm1      8.247 ppm2      3.951 CV     1
 ASSI {   72}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.400     2.400     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.35923E-03 ppm1      8.250 ppm2      4.563 CV     1
 ASSI {   74}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.17930E-02 ppm1      8.249 ppm2      8.497 CV     1
 ASSI {   75}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.700     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.73395E-03 ppm1      7.716 ppm2      1.825 CV     1
 ASSI {   76}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.200     2.200     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.63245E-03 ppm1      7.720 ppm2      1.545 CV     1
 ASSI {   77}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.60197E-03 ppm1      7.718 ppm2      1.060 CV     1
 ASSI {   78}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.500     3.700     0.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.32039E-03 ppm1      7.721 ppm2      0.877 CV     1
 ASSI {   79}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.500     2.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.52971E-03 ppm1      7.716 ppm2      3.003 CV     1
 ASSI {   80}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.900     3.000     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.26199E-03 ppm1      7.716 ppm2      2.782 CV     1
 ASSI {   81}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.100     2.100     1.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.65638E-03 ppm1      7.718 ppm2      2.464 CV     1
 ASSI {   85}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      7.718 ppm2      4.667 CV     1
 ASSI {   87}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD2%)
      3.500     1.600     1.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15868E-02 ppm1      7.674 ppm2      0.882 CV     1
 ASSI {   93}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.200     1.200 peak    93 spectrum    1 weight  0.10000E+01 volume  0.18093E-02 ppm1      7.674 ppm2      1.690 CV     1
 ASSI {   95}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     3.000     3.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.71155E-03 ppm1      7.676 ppm2      1.475 CV     1
 ASSI {   96}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.64512E-03 ppm1      7.673 ppm2      1.375 CV     1
 ASSI {   97}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.700     1.700     1.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.14002E-02 ppm1      7.330 ppm2      1.694 CV     1
 ASSI {   99}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     2.900     3.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.91931E-03 ppm1      7.330 ppm2      1.480 CV     1
 ASSI {  100}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HB1 ))
      3.800     1.800     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.18451E-03 ppm1      7.672 ppm2      2.199 CV     1
 ASSI {  101}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.23420E-02 ppm1      7.674 ppm2      2.773 CV     1
 ASSI {  102}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.30017E-02 ppm1      7.674 ppm2      3.092 CV     1
 ASSI {  103}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   103 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      7.330 ppm2      3.092 CV     1
 ASSI {  105}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HA  ))
      5.800     4.200     0.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.17962E-03 ppm1      7.330 ppm2      3.897 CV     1
 ASSI {  106}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.36245E-03 ppm1      7.327 ppm2      4.499 CV     1
 ASSI {  107}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.700     2.700     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      7.327 ppm2      4.355 CV     1
 ASSI {  109}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HA  ))
      5.300     3.500     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.20699E-03 ppm1      7.674 ppm2      4.355 CV     1
 ASSI {  110}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.74488E-03 ppm1      7.674 ppm2      8.879 CV     1
 ASSI {  112}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HD21))
      1.600     0.300     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.16151E-01 ppm1      7.674 ppm2      7.333 CV     1
 ASSI {  114}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.12483E-02 ppm1      7.674 ppm2      9.425 CV     1
 ASSI {  115}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.18020E-02 ppm1      7.331 ppm2      9.425 CV     1
 ASSI {  116}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 5    and name HD2%)
      5.000     3.100     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.20959E-03 ppm1      7.675 ppm2      0.620 CV     1
 OR {  116}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  118}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.100     2.100     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.71827E-03 ppm1      7.472 ppm2      1.207 CV     1
 ASSI {  120}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.400     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.82464E-03 ppm1      7.474 ppm2      2.643 CV     1
 ASSI {  121}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.400     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      7.474 ppm2      2.465 CV     1
 ASSI {  122}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      7.473 ppm2      2.282 CV     1
 ASSI {  124}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.12975E-02 ppm1      7.475 ppm2      2.878 CV     1
 ASSI {  125}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      5.300     3.500     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11454E-03 ppm1      7.477 ppm2      1.700 CV     1
 ASSI {  129}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak   129 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      7.474 ppm2      4.943 CV     1
 ASSI {  130}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.300     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.65692E-02 ppm1      7.474 ppm2      9.152 CV     1
 ASSI {  131}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.700     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.24772E-03 ppm1      8.490 ppm2      1.547 CV     1
 ASSI {  133}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.16817E-02 ppm1      8.491 ppm2      2.834 CV     1
 OR {  133}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  134}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.300     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.11623E-01 ppm1      8.492 ppm2      4.075 CV     1
 OR {  134}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  135}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.41846E-02 ppm1      8.491 ppm2      4.723 CV     1
 ASSI {  136}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.22796E-02 ppm1      8.492 ppm2      8.145 CV     1
 ASSI {  137}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.33682E-02 ppm1      8.415 ppm2      8.884 CV     1
 ASSI {  138}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.45272E-02 ppm1      8.415 ppm2      7.591 CV     1
 ASSI {  139}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.500     1.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.99022E-03 ppm1      8.415 ppm2      4.908 CV     1
 ASSI {  142}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.200     0.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.11758E-01 ppm1      8.415 ppm2      4.028 CV     1
 OR {  142}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  143}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.40782E-03 ppm1      8.417 ppm2      3.744 CV     1
 ASSI {  144}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.14082E-02 ppm1      8.415 ppm2      3.091 CV     1
 ASSI {  145}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.92953E-03 ppm1      8.415 ppm2      2.771 CV     1
 ASSI {  148}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.200     2.200     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.50663E-03 ppm1      8.412 ppm2      0.883 CV     1
 ASSI {  151}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.400     2.400     1.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.48336E-03 ppm1      8.416 ppm2      1.932 CV     1
 ASSI {  152}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.900     1.900     1.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.55149E-03 ppm1      7.982 ppm2      0.924 CV     1
 ASSI {  154}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.77236E-03 ppm1      7.981 ppm2      2.788 CV     1
 ASSI {  157}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.61169E-03 ppm1      7.980 ppm2      4.384 CV     1
 ASSI {  158}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak   158 spectrum    1 weight  0.10000E+01 volume  0.29207E-02 ppm1      7.982 ppm2      7.464 CV     1
 ASSI {  160}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18610E-02 ppm1      8.562 ppm2      8.233 CV     1
 ASSI {  162}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.700     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.45960E-03 ppm1      8.562 ppm2      7.317 CV     1
 ASSI {  165}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.600     0.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.69719E-02 ppm1      8.563 ppm2      4.285 CV     1
 ASSI {  166}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      5.200     3.400     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.38709E-03 ppm1      8.058 ppm2      0.784 CV     1
 ASSI {  167}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.100     3.300     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.34863E-03 ppm1      8.062 ppm2      0.458 CV     1
 ASSI {  168}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      5.000     3.100     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.37969E-03 ppm1      8.058 ppm2      1.210 CV     1
 ASSI {  170}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.800     2.800     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.55662E-03 ppm1      8.062 ppm2      0.962 CV     1
 ASSI {  171}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.400     1.400     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.98437E-03 ppm1      8.059 ppm2      1.776 CV     1
 OR {  171}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  173}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.29834E-02 ppm1      8.062 ppm2      2.360 CV     1
 ASSI {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.53938E-02 ppm1      8.061 ppm2      7.214 CV     1
 ASSI {  180}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.32206E-02 ppm1      8.022 ppm2      8.950 CV     1
 ASSI {  182}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     3.000     3.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23317E-02 ppm1      8.023 ppm2      8.110 CV     1
 ASSI {  184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.16783E-02 ppm1      8.023 ppm2      4.267 CV     1
 ASSI {  186}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.79814E-03 ppm1      8.023 ppm2      2.757 CV     1
 ASSI {  187}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24511E-02 ppm1      8.020 ppm2      2.362 CV     1
 ASSI {  188}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.600     2.600     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32900E-03 ppm1      8.023 ppm2      2.212 CV     1
 ASSI {  189}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.500     3.700     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.24378E-03 ppm1      8.019 ppm2      1.900 CV     1
 ASSI {  191}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.12369E-02 ppm1      7.717 ppm2      0.877 CV     1
 ASSI {  192}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.28543E-02 ppm1      7.717 ppm2      1.061 CV     1
 ASSI {  193}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.000     0.500     0.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.39813E-02 ppm1      7.718 ppm2      1.546 CV     1
 ASSI {  194}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.100     1.200     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.23764E-02 ppm1      7.718 ppm2      1.826 CV     1
 ASSI {  197}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.700     1.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12775E-02 ppm1      7.716 ppm2      2.460 CV     1
 ASSI {  198}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.200     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.38224E-03 ppm1      7.715 ppm2      3.890 CV     1
 ASSI {  200}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     1.500     1.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.90789E-03 ppm1      7.717 ppm2      4.812 CV     1
 ASSI {  201}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   201 spectrum    1 weight  0.10000E+01 volume  0.18648E-02 ppm1      7.718 ppm2      4.669 CV     1
 ASSI {  202}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.50930E-02 ppm1      7.717 ppm2      7.551 CV     1
 ASSI {  205}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.700     2.800     1.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.34517E-03 ppm1      7.471 ppm2      8.474 CV     1
 ASSI {  207}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.24330E-02 ppm1      7.471 ppm2      4.674 CV     1
 ASSI {  208}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.900     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.36007E-03 ppm1      7.471 ppm2      3.449 CV     1
 ASSI {  209}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.63824E-03 ppm1      7.470 ppm2      2.788 CV     1
 ASSI {  210}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.13733E-02 ppm1      7.470 ppm2      2.136 CV     1
 ASSI {  211}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.36072E-03 ppm1      7.473 ppm2      2.482 CV     1
 ASSI {  212}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.800     2.900     1.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.37236E-03 ppm1      7.471 ppm2      2.338 CV     1
 ASSI {  213}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.53820E-02 ppm1      7.470 ppm2      0.923 CV     1
 ASSI {  214}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.700     2.800     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.54668E-03 ppm1      7.471 ppm2      8.145 CV     1
 ASSI {  224}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.34979E-03 ppm1      8.917 ppm2      7.965 CV     1
 ASSI {  225}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.29695E-02 ppm1      8.244 ppm2      1.244 CV     1
 ASSI {  226}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.14981E-02 ppm1      8.244 ppm2      2.235 CV     1
 ASSI {  227}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.700     1.700     1.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.10144E-02 ppm1      8.245 ppm2      2.068 CV     1
 ASSI {  228}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.300     2.300     1.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.68970E-03 ppm1      8.244 ppm2      2.406 CV     1
 OR {  228}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  229}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.300     3.500     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.18824E-03 ppm1      8.247 ppm2      2.835 CV     1
 OR {  229}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  231}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.90276E-02 ppm1      8.244 ppm2      4.477 CV     1
 ASSI {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.22344E-02 ppm1      8.244 ppm2      4.375 CV     1
 ASSI {  235}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      8.146 ppm2      7.434 CV     1
 ASSI {  236}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.49478E-02 ppm1      8.149 ppm2      7.984 CV     1
 ASSI {  237}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.28603E-02 ppm1      8.143 ppm2      8.084 CV     1
 ASSI {  242}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.500     1.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.19843E-02 ppm1      8.145 ppm2      1.593 CV     1
 ASSI {  243}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.400     2.400     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.66692E-03 ppm1      8.145 ppm2      1.361 CV     1
 ASSI {  245}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.200     1.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.84671E-03 ppm1      8.145 ppm2      1.886 CV     1
 ASSI {  246}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.33034E-02 ppm1      7.809 ppm2      8.220 CV     1
 ASSI {  247}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.28673E-02 ppm1      7.810 ppm2      4.571 CV     1
 ASSI {  249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1      7.810 ppm2      4.203 CV     1
 ASSI {  250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.31721E-02 ppm1      7.809 ppm2      4.143 CV     1
 ASSI {  251}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.21805E-02 ppm1      7.809 ppm2      4.053 CV     1
 ASSI {  253}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      5.700     4.100     0.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.31505E-03 ppm1      7.810 ppm2      2.616 CV     1
 ASSI {  254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.900     3.000     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.40724E-03 ppm1      7.810 ppm2      2.387 CV     1
 ASSI {  256}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.14554E-02 ppm1      7.809 ppm2      2.141 CV     1
 ASSI {  259}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      5.000     3.100     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.30378E-03 ppm1      7.812 ppm2      1.038 CV     1
 ASSI {  260}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.14754E-02 ppm1      9.048 ppm2      0.631 CV     1
 ASSI {  261}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      9.050 ppm2      1.573 CV     1
 OR {  261}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  266}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.300     2.400     1.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.37052E-03 ppm1      9.045 ppm2      4.856 CV     1
 ASSI {  267}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.44413E-03 ppm1      9.053 ppm2      4.776 CV     1
 ASSI {  269}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.54087E-03 ppm1      8.835 ppm2      0.881 CV     1
 ASSI {  271}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.500     3.800     0.500 peak   271 spectrum    1 weight  0.10000E+01 volume  0.26867E-03 ppm1      8.838 ppm2      0.456 CV     1
 ASSI {  274}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.30097E-02 ppm1      8.835 ppm2      3.868 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      3.000     1.100     1.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.34399E-02 ppm1      8.835 ppm2      4.317 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.100     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.58705E-02 ppm1      8.836 ppm2      4.852 CV     1
 ASSI {  278}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.23328E-02 ppm1      8.836 ppm2      8.245 CV     1
 ASSI {  281}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.38196E-02 ppm1      8.232 ppm2      8.471 CV     1
 ASSI {  283}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.32479E-02 ppm1      8.233 ppm2      3.979 CV     1
 ASSI {  284}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.41618E-02 ppm1      8.232 ppm2      4.365 CV     1
 ASSI {  286}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.53476E-03 ppm1      8.231 ppm2      4.703 CV     1
 ASSI {  287}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      5.100     3.300     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22150E-03 ppm1      8.227 ppm2      1.557 CV     1
 ASSI {  288}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.100     2.100     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.51439E-03 ppm1      8.232 ppm2      1.449 CV     1
 ASSI {  289}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.69560E-03 ppm1      8.236 ppm2      1.238 CV     1
 ASSI {  290}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.400     1.500     1.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.34263E-03 ppm1      8.233 ppm2      0.796 CV     1
 ASSI {  292}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.200     3.400     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.26010E-03 ppm1      8.237 ppm2      3.020 CV     1
 ASSI {  293}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.100     1.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.19275E-03 ppm1      8.228 ppm2      2.892 CV     1
 ASSI {  294}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.24709E-03 ppm1      8.234 ppm2      2.762 CV     1
 ASSI {  297}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.500     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      7.981 ppm2      1.403 CV     1
 ASSI {  299}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.33859E-02 ppm1      7.981 ppm2      1.923 CV     1
 ASSI {  301}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.11349E-02 ppm1      7.981 ppm2      3.522 CV     1
 ASSI {  303}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      4.900     3.000     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.33377E-03 ppm1      7.983 ppm2      3.329 CV     1
 ASSI {  304}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.700     2.800     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.27367E-03 ppm1      7.982 ppm2      3.196 CV     1
 ASSI {  306}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      5.000     3.100     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.31118E-03 ppm1      7.978 ppm2      2.278 CV     1
 ASSI {  307}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.78984E-03 ppm1      7.979 ppm2      4.628 CV     1
 ASSI {  308}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.11897E-02 ppm1      7.980 ppm2      4.547 CV     1
 ASSI {  309}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.40266E-02 ppm1      7.981 ppm2      7.698 CV     1
 ASSI {  310}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.31336E-02 ppm1      7.981 ppm2      8.842 CV     1
 ASSI {  315}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.700     2.700     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.43159E-03 ppm1      7.296 ppm2      9.152 CV     1
 ASSI {  316}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.12570E-02 ppm1      7.293 ppm2      4.628 CV     1
 ASSI {  317}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.17164E-02 ppm1      7.293 ppm2      4.478 CV     1
 ASSI {  318}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.700     1.700     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.22817E-03 ppm1      7.293 ppm2      4.132 CV     1
 ASSI {  319}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.42785E-03 ppm1      7.293 ppm2      3.995 CV     1
 ASSI {  320}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      4.400     2.400     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.23427E-03 ppm1      7.293 ppm2      3.900 CV     1
 ASSI {  321}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.36028E-03 ppm1      7.293 ppm2      2.065 CV     1
 ASSI {  322}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.70205E-03 ppm1      7.293 ppm2      1.858 CV     1
 ASSI {  323}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.000     2.000     2.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.49557E-03 ppm1      7.291 ppm2      1.752 CV     1
 OR {  323}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  327}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.500     3.700     0.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.36161E-03 ppm1      7.292 ppm2      0.366 CV     1
 ASSI {  328}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.36012E-03 ppm1      7.295 ppm2      0.201 CV     1
 ASSI {  333}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.500     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.69762E-03 ppm1      8.602 ppm2      1.020 CV     1
 ASSI {  335}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.800     2.900     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.52979E-03 ppm1      8.604 ppm2      2.223 CV     1
 ASSI {  337}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   337 spectrum    1 weight  0.10000E+01 volume  0.13996E-02 ppm1      8.602 ppm2      2.058 CV     1
 ASSI {  342}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.39672E-02 ppm1      8.603 ppm2      7.391 CV     1
 ASSI {  346}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.19792E-02 ppm1      8.603 ppm2      8.825 CV     1
 ASSI {  349}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20822E-02 ppm1      8.480 ppm2      4.826 CV     1
 ASSI {  354}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.45804E-03 ppm1      8.468 ppm2      7.553 CV     1
 ASSI {  355}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.700     2.800     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.51773E-03 ppm1      8.472 ppm2      7.215 CV     1
 ASSI {  358}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      5.000     3.100     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.33569E-03 ppm1      8.471 ppm2      3.453 CV     1
 ASSI {  359}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.600     2.600     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.56247E-03 ppm1      8.470 ppm2      3.352 CV     1
 ASSI {  360}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.11296E-02 ppm1      8.468 ppm2      3.094 CV     1
 ASSI {  362}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30923E-02 ppm1      8.468 ppm2      1.941 CV     1
 ASSI {  363}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.33640E-02 ppm1      8.468 ppm2      1.857 CV     1
 ASSI {  364}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.16542E-02 ppm1      8.468 ppm2      1.774 CV     1
 OR {  364}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  365}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.800     1.800     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.12396E-02 ppm1      8.467 ppm2      1.620 CV     1
 ASSI {  366}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.20251E-02 ppm1      8.468 ppm2      1.407 CV     1
 ASSI {  370}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.000     2.000     2.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.64490E-03 ppm1      8.480 ppm2      1.633 CV     1
 ASSI {  373}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.10910E-02 ppm1      8.141 ppm2      8.614 CV     1
 ASSI {  374}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.36121E-02 ppm1      8.142 ppm2      4.328 CV     1
 ASSI {  377}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.57695E-03 ppm1      8.141 ppm2      2.838 CV     1
 OR {  377}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  378}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.800     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.30904E-02 ppm1      8.141 ppm2      1.279 CV     1
 ASSI {  380}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.28979E-02 ppm1      7.834 ppm2      2.643 CV     1
 ASSI {  381}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.49364E-02 ppm1      7.834 ppm2      2.470 CV     1
 OR {  381}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  382}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.22574E-02 ppm1      7.834 ppm2      2.279 CV     1
 ASSI {  383}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.000     1.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.90319E-03 ppm1      7.834 ppm2      1.863 CV     1
 ASSI {  384}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.833 ppm2      1.611 CV     1
 ASSI {  385}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.31395E-02 ppm1      7.834 ppm2      4.241 CV     1
 ASSI {  387}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.20389E-02 ppm1      7.834 ppm2      8.997 CV     1
 ASSI {  388}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.34699E-02 ppm1      7.833 ppm2      7.731 CV     1
 ASSI {  390}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.40483E-02 ppm1      7.757 ppm2      7.952 CV     1
 ASSI {  391}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.47062E-02 ppm1      7.757 ppm2      7.849 CV     1
 ASSI {  395}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.600     1.700     1.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.13288E-02 ppm1      7.757 ppm2      2.532 CV     1
 ASSI {  398}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.800     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.45895E-02 ppm1      7.757 ppm2      2.124 CV     1
 ASSI {  401}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.83223E-03 ppm1      7.505 ppm2      1.211 CV     1
 ASSI {  402}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.600     2.700     1.400 peak   402 spectrum    1 weight  0.10000E+01 volume  0.61939E-03 ppm1      7.503 ppm2      1.123 CV     1
 ASSI {  404}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.28376E-02 ppm1      7.505 ppm2      1.859 CV     1
 ASSI {  405}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.24587E-02 ppm1      7.505 ppm2      1.752 CV     1
 OR {  405}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  406}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.400     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.10963E-02 ppm1      7.504 ppm2      4.135 CV     1
 ASSI {  407}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.55264E-03 ppm1      7.507 ppm2      3.986 CV     1
 ASSI {  408}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.100     1.200     1.200 peak   408 spectrum    1 weight  0.10000E+01 volume  0.12612E-02 ppm1      7.507 ppm2      3.890 CV     1
 ASSI {  410}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.19826E-02 ppm1      7.508 ppm2      4.628 CV     1
 ASSI {  411}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE  ))
      3.200     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.18113E-02 ppm1      7.505 ppm2      7.402 CV     1
 ASSI {  412}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.42755E-02 ppm1      7.506 ppm2      7.294 CV     1
 ASSI {  413}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.30309E-02 ppm1      7.505 ppm2      8.026 CV     1
 ASSI {  417}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.000     3.100     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.55766E-03 ppm1      9.553 ppm2      1.943 CV     1
 ASSI {  418}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.89866E-03 ppm1      9.553 ppm2      1.858 CV     1
 ASSI {  419}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.800     2.900     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.36379E-03 ppm1      9.553 ppm2      1.620 CV     1
 ASSI {  420}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.38021E-02 ppm1      9.553 ppm2      2.256 CV     1
 ASSI {  421}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.40754E-02 ppm1      9.553 ppm2      2.141 CV     1
 ASSI {  422}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.300     1.300     1.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.34186E-02 ppm1      9.552 ppm2      2.488 CV     1
 OR {  422}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  425}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.13074E-02 ppm1      9.552 ppm2      3.603 CV     1
 ASSI {  426}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.300     2.300     1.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.43032E-03 ppm1      9.554 ppm2      4.735 CV     1
 ASSI {  429}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27421E-02 ppm1      9.553 ppm2      7.552 CV     1
 ASSI {  430}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.600     2.700     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.45289E-03 ppm1      9.553 ppm2      7.123 CV     1
 ASSI {  431}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      9.553 ppm2      8.450 CV     1
 ASSI {  433}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.800     2.900     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.67315E-03 ppm1      8.994 ppm2      0.785 CV     1
 ASSI {  434}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.15891E-02 ppm1      8.996 ppm2      0.457 CV     1
 ASSI {  435}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.500     2.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.45622E-03 ppm1      8.997 ppm2      1.200 CV     1
 ASSI {  436}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.13368E-02 ppm1      8.995 ppm2      1.040 CV     1
 ASSI {  439}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      8.997 ppm2      2.015 CV     1
 ASSI {  440}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.34640E-02 ppm1      8.995 ppm2      1.863 CV     1
 ASSI {  443}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.100     2.100     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.12145E-02 ppm1      8.996 ppm2      1.517 CV     1
 ASSI {  445}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.300     1.400     1.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.50202E-03 ppm1      8.996 ppm2      2.803 CV     1
 ASSI {  446}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.200     3.300     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.26217E-03 ppm1      8.997 ppm2      3.028 CV     1
 ASSI {  447}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1      8.997 ppm2      3.308 CV     1
 ASSI {  449}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.43124E-03 ppm1      8.995 ppm2      5.045 CV     1
 ASSI {  450}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.600     2.600     1.400 peak   450 spectrum    1 weight  0.10000E+01 volume  0.27138E-03 ppm1      8.999 ppm2      4.948 CV     1
 ASSI {  451}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.800     1.000     1.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17187E-02 ppm1      8.996 ppm2      4.627 CV     1
 ASSI {  453}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      8.996 ppm2      4.031 CV     1
 ASSI {  456}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.32981E-03 ppm1      8.995 ppm2      7.727 CV     1
 ASSI {  457}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.600     2.600     1.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.39468E-03 ppm1      8.882 ppm2      0.615 CV     1
 OR {  457}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  461}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11364E-02 ppm1      8.882 ppm2      0.793 CV     1
 ASSI {  462}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      5.100     3.200     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.46531E-03 ppm1      8.882 ppm2      1.274 CV     1
 ASSI {  463}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.200     2.200     1.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.76618E-03 ppm1      8.883 ppm2      1.737 CV     1
 ASSI {  465}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.46314E-02 ppm1      8.882 ppm2      1.934 CV     1
 ASSI {  466}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.28833E-02 ppm1      8.882 ppm2      2.775 CV     1
 ASSI {  467}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.49176E-02 ppm1      8.882 ppm2      3.091 CV     1
 ASSI {  468}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.700     2.800     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.65507E-03 ppm1      8.880 ppm2      4.020 CV     1
 OR {  468}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  471}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.500     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.31998E-03 ppm1      8.883 ppm2      4.281 CV     1
 ASSI {  473}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.29592E-02 ppm1      8.882 ppm2      4.909 CV     1
 ASSI {  476}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.59022E-03 ppm1      8.883 ppm2      7.587 CV     1
 ASSI {  477}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.400     1.400     1.400 peak   477 spectrum    1 weight  0.10000E+01 volume  0.52547E-03 ppm1      8.881 ppm2      7.331 CV     1
 ASSI {  480}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.47331E-02 ppm1      8.882 ppm2      8.290 CV     1
 ASSI {  481}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.39447E-02 ppm1      8.687 ppm2      8.002 CV     1
 ASSI {  484}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.500     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.78541E-03 ppm1      8.671 ppm2      4.386 CV     1
 ASSI {  485}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.28163E-02 ppm1      8.669 ppm2      4.280 CV     1
 ASSI {  487}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak   487 spectrum    1 weight  0.10000E+01 volume  0.14629E-02 ppm1      8.668 ppm2      4.187 CV     1
 ASSI {  488}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      8.685 ppm2      3.892 CV     1
 ASSI {  489}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.67878E-03 ppm1      8.687 ppm2      3.608 CV     1
 ASSI {  490}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight  0.10000E+01 volume  0.46041E-02 ppm1      8.687 ppm2      2.777 CV     1
 ASSI {  491}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.38900E-02 ppm1      8.687 ppm2      2.191 CV     1
 ASSI {  492}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.500     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      8.686 ppm2      1.690 CV     1
 ASSI {  493}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.300     1.400     1.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      8.673 ppm2      1.650 CV     1
 ASSI {  494}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.700     1.700     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.20693E-02 ppm1      8.685 ppm2      1.545 CV     1
 ASSI {  496}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.400     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.92188E-03 ppm1      8.686 ppm2      0.875 CV     1
 ASSI {  497}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.73575E-03 ppm1      8.687 ppm2      0.790 CV     1
 ASSI {  498}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.45713E-02 ppm1      8.402 ppm2      7.694 CV     1
 ASSI {  499}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.42483E-02 ppm1      8.405 ppm2      8.470 CV     1
 ASSI {  503}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.54848E-02 ppm1      8.402 ppm2      1.985 CV     1
 ASSI {  504}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      2.700     0.900     0.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.43292E-02 ppm1      8.402 ppm2      1.881 CV     1
 ASSI {  506}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.39784E-02 ppm1      8.402 ppm2      1.670 CV     1
 ASSI {  507}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.29815E-02 ppm1      8.401 ppm2      1.435 CV     1
 ASSI {  511}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17254E-02 ppm1      8.402 ppm2      0.767 CV     1
 ASSI {  513}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.16846E-02 ppm1      8.323 ppm2      1.123 CV     1
 ASSI {  514}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.700     2.800     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.48473E-03 ppm1      8.322 ppm2      2.602 CV     1
 ASSI {  515}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.61082E-03 ppm1      8.324 ppm2      2.449 CV     1
 ASSI {  517}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.18583E-02 ppm1      8.323 ppm2      2.206 CV     1
 ASSI {  518}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.28740E-02 ppm1      8.323 ppm2      3.954 CV     1
 ASSI {  519}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.40162E-02 ppm1      8.323 ppm2      4.416 CV     1
 ASSI {  520}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.600     1.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.98055E-03 ppm1      8.322 ppm2      4.321 CV     1
 ASSI {  521}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   521 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      8.322 ppm2      4.235 CV     1
 ASSI {  522}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.45451E-02 ppm1      8.323 ppm2      8.499 CV     1
 ASSI {  523}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.42459E-02 ppm1      8.323 ppm2      8.742 CV     1
 ASSI {  527}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.23417E-02 ppm1      7.552 ppm2      4.808 CV     1
 ASSI {  528}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.500     0.800     0.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.36023E-02 ppm1      7.550 ppm2      3.090 CV     1
 ASSI {  530}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.500     1.500     1.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.552 ppm2      2.487 CV     1
 OR {  530}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  531}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.200     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.10972E-02 ppm1      7.552 ppm2      2.255 CV     1
 ASSI {  532}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.400     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18977E-02 ppm1      7.552 ppm2      2.155 CV     1
 ASSI {  533}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.900     3.000     1.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.48295E-03 ppm1      7.551 ppm2      1.938 CV     1
 ASSI {  534}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.15385E-02 ppm1      7.551 ppm2      1.852 CV     1
 ASSI {  536}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.100     2.100     1.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.61469E-03 ppm1      7.553 ppm2      1.547 CV     1
 ASSI {  538}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.700     1.700     1.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.20140E-02 ppm1      7.519 ppm2      0.785 CV     1
 ASSI {  539}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17429E-02 ppm1      7.519 ppm2      0.458 CV     1
 ASSI {  542}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.26385E-02 ppm1      7.519 ppm2      1.029 CV     1
 ASSI {  546}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.10754E-02 ppm1      7.518 ppm2      4.843 CV     1
 ASSI {  547}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak   547 spectrum    1 weight  0.10000E+01 volume  0.51261E-03 ppm1      7.519 ppm2      4.748 CV     1
 ASSI {  548}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16198E-02 ppm1      7.518 ppm2      7.325 CV     1
 ASSI {  551}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.43482E-02 ppm1      7.393 ppm2      8.256 CV     1
 ASSI {  556}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.100     1.100 peak   556 spectrum    1 weight  0.10000E+01 volume  0.19615E-02 ppm1      7.391 ppm2      3.808 CV     1
 ASSI {  557}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.000     2.000     2.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.40152E-03 ppm1      7.389 ppm2      2.827 CV     1
 ASSI {  558}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.000     2.000     2.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.40853E-03 ppm1      7.394 ppm2      2.734 CV     1
 ASSI {  562}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.700     2.800     1.300 peak   562 spectrum    1 weight  0.10000E+01 volume  0.55826E-03 ppm1      7.393 ppm2      1.396 CV     1
 ASSI {  564}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.59814E-03 ppm1      8.949 ppm2      8.116 CV     1
 ASSI {  566}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.29366E-02 ppm1      8.949 ppm2      8.423 CV     1
 ASSI {  568}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.50326E-03 ppm1      8.947 ppm2      3.951 CV     1
 ASSI {  569}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   569 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      8.948 ppm2      4.283 CV     1
 ASSI {  571}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.35754E-02 ppm1      8.947 ppm2      2.357 CV     1
 OR {  571}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  573}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.500     2.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.54865E-03 ppm1      8.945 ppm2      2.043 CV     1
 ASSI {  578}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      5.100     3.200     0.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.48561E-03 ppm1      8.948 ppm2      1.031 CV     1
 ASSI {  579}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.83737E-02 ppm1      8.842 ppm2      2.046 CV     1
 OR {  579}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  590}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.800     2.800     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.43462E-03 ppm1      8.844 ppm2      3.204 CV     1
 OR {  590}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  591}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.000     2.000     2.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.58487E-03 ppm1      8.842 ppm2      2.708 CV     1
 OR {  591}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  593}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.100     2.100     1.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.43532E-03 ppm1      8.839 ppm2      3.864 CV     1
 ASSI {  595}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.15831E-02 ppm1      8.842 ppm2      4.625 CV     1
 ASSI {  597}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.92275E-03 ppm1      8.843 ppm2      7.219 CV     1
 ASSI {  598}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.32394E-03 ppm1      8.844 ppm2      7.696 CV     1
 ASSI {  599}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.33462E-02 ppm1      8.842 ppm2      8.063 CV     1
 ASSI {  601}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.72887E-03 ppm1      8.842 ppm2      7.887 CV     1
 ASSI {  604}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.38237E-02 ppm1      7.694 ppm2      4.402 CV     1
 ASSI {  605}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   605 spectrum    1 weight  0.10000E+01 volume  0.14183E-02 ppm1      7.692 ppm2      4.212 CV     1
 ASSI {  606}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.13234E-02 ppm1      7.693 ppm2      4.032 CV     1
 ASSI {  615}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.52513E-02 ppm1      8.244 ppm2      2.335 CV     1
 OR {  615}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  619}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      8.243 ppm2      4.622 CV     1
 ASSI {  622}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.19432E-02 ppm1      8.212 ppm2      8.392 CV     1
 ASSI {  625}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.27986E-02 ppm1      8.211 ppm2      8.120 CV     1
 ASSI {  629}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.700     1.700     1.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.31585E-02 ppm1      8.218 ppm2      2.621 CV     1
 ASSI {  633}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.300     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10381E-01 ppm1      8.207 ppm2      1.651 CV     1
 ASSI {  635}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.600     1.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.14421E-02 ppm1      8.213 ppm2      1.035 CV     1
 ASSI {  637}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      8.126 ppm2      8.421 CV     1
 ASSI {  641}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.49282E-02 ppm1      8.125 ppm2      2.200 CV     1
 ASSI {  642}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.42086E-02 ppm1      8.125 ppm2      2.019 CV     1
 ASSI {  644}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.600     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.47300E-02 ppm1      8.125 ppm2      1.649 CV     1
 ASSI {  647}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.53514E-02 ppm1      8.276 ppm2      7.592 CV     1
 ASSI {  649}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   649 spectrum    1 weight  0.10000E+01 volume  0.24819E-02 ppm1      8.239 ppm2      8.060 CV     1
 ASSI {  650}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.44066E-02 ppm1      8.286 ppm2      7.996 CV     1
 ASSI {  652}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.400     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16105E-02 ppm1      8.244 ppm2      4.853 CV     1
 ASSI {  654}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.700     0.900     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.36771E-02 ppm1      8.242 ppm2      4.313 CV     1
 ASSI {  655}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   655 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      8.286 ppm2      3.896 CV     1
 ASSI {  662}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      8.244 ppm2      1.394 CV     1
 ASSI {  663}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.400     1.400     1.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.28109E-02 ppm1      8.287 ppm2      1.272 CV     1
 ASSI {  665}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.600     1.600     1.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      8.285 ppm2      1.061 CV     1
 OR {  665}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  693}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.70516E-02 ppm1      8.492 ppm2      4.065 CV     1
 OR {  693}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  698}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.700     1.700     1.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.20604E-02 ppm1      8.501 ppm2      2.600 CV     1
 ASSI {  702}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.000     1.200     1.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.28681E-02 ppm1      8.493 ppm2      2.393 CV     1
 OR {  702}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  704}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.37997E-02 ppm1      8.492 ppm2      2.068 CV     1
 ASSI {  705}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.700     2.700     1.300 peak   705 spectrum    1 weight  0.10000E+01 volume  0.37609E-03 ppm1      8.503 ppm2      1.636 CV     1
 ASSI {  709}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.69396E-03 ppm1      8.422 ppm2      1.661 CV     1
 ASSI {  712}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.52529E-03 ppm1      8.419 ppm2      1.126 CV     1
 ASSI {  717}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.000     2.000     2.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.65365E-03 ppm1      8.465 ppm2      0.789 CV     1
 ASSI {  718}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      8.467 ppm2      1.434 CV     1
 ASSI {  719}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.21129E-02 ppm1      8.467 ppm2      1.988 CV     1
 ASSI {  728}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.900     1.900     1.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      8.084 ppm2      1.355 CV     1
 ASSI {  733}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   733 spectrum    1 weight  0.10000E+01 volume  0.39555E-02 ppm1      7.888 ppm2      3.035 CV     1
 ASSI {  734}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.500     2.500     1.500 peak   734 spectrum    1 weight  0.10000E+01 volume  0.45611E-03 ppm1      7.888 ppm2      4.858 CV     1
 ASSI {  735}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.700     1.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.80136E-03 ppm1      7.887 ppm2      4.621 CV     1
 ASSI {  736}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.28863E-02 ppm1      7.888 ppm2      4.547 CV     1
 ASSI {  737}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.48051E-02 ppm1      7.888 ppm2      8.063 CV     1
 ASSI {  738}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.27295E-02 ppm1      7.887 ppm2      8.242 CV     1
 ASSI {  739}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      7.888 ppm2      9.046 CV     1
 ASSI {  741}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   741 spectrum    1 weight  0.10000E+01 volume  0.32515E-02 ppm1      7.722 ppm2      8.741 CV     1
 ASSI {  744}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.45574E-02 ppm1      7.720 ppm2      2.432 CV     1
 ASSI {  745}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      7.717 ppm2      2.275 CV     1
 ASSI {  747}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.39873E-02 ppm1      7.720 ppm2      1.696 CV     1
 ASSI {  752}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.800     2.900     1.200 peak   752 spectrum    1 weight  0.10000E+01 volume  0.71041E-03 ppm1      8.741 ppm2      0.879 CV     1
 ASSI {  762}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.66998E-03 ppm1      8.741 ppm2      4.306 CV     1
 ASSI {  764}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.23136E-02 ppm1      8.741 ppm2      3.897 CV     1
 ASSI {  766}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.20821E-02 ppm1      8.740 ppm2      8.688 CV     1
 ASSI {  768}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.40748E-02 ppm1      8.453 ppm2      8.249 CV     1
 ASSI {  770}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.67763E-03 ppm1      8.453 ppm2      7.766 CV     1
 ASSI {  771}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.45097E-03 ppm1      8.451 ppm2      6.966 CV     1
 ASSI {  772}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      4.500     2.600     1.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.37329E-03 ppm1      8.449 ppm2      6.758 CV     1
 ASSI {  775}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.300     2.300     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.49214E-03 ppm1      8.454 ppm2      2.773 CV     1
 ASSI {  783}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.96542E-03 ppm1      8.062 ppm2      0.630 CV     1
 ASSI {  790}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.45867E-02 ppm1      8.062 ppm2      2.330 CV     1
 ASSI {  792}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.19827E-02 ppm1      8.061 ppm2      4.560 CV     1
 ASSI {  794}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.30387E-02 ppm1      8.062 ppm2      4.213 CV     1
 ASSI {  798}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.19319E-02 ppm1      8.071 ppm2      6.974 CV     1
 ASSI {  801}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   801 spectrum    1 weight  0.10000E+01 volume  0.21908E-02 ppm1      8.069 ppm2      4.583 CV     1
 ASSI {  802}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      8.069 ppm2      3.878 CV     1
 ASSI {  803}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.24072E-02 ppm1      8.071 ppm2      2.776 CV     1
 ASSI {  804}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.400     1.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.23830E-02 ppm1      8.069 ppm2      3.003 CV     1
 ASSI {  805}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.100     1.200     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.12166E-02 ppm1      8.070 ppm2      1.827 CV     1
 ASSI {  806}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.54761E-02 ppm1      8.062 ppm2      1.567 CV     1
 ASSI {  808}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43202E-02 ppm1      7.956 ppm2      8.275 CV     1
 ASSI {  810}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.300     1.300 peak   810 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      7.958 ppm2      4.214 CV     1
 ASSI {  815}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.100     1.200     1.200 peak   815 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      7.959 ppm2      2.007 CV     1
 ASSI {  816}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.200     2.200     1.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.59404E-03 ppm1      7.959 ppm2      1.838 CV     1
 ASSI {  819}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.900     1.900     1.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.98192E-03 ppm1      8.491 ppm2      1.242 CV     1
 ASSI {  820}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.36391E-02 ppm1      8.491 ppm2      2.832 CV     1
 OR {  820}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  821}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.64365E-02 ppm1      8.491 ppm2      4.516 CV     1
 ASSI {  822}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.500     1.500     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.22865E-02 ppm1      8.491 ppm2      4.372 CV     1
 ASSI {  823}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      8.488 ppm2      4.724 CV     1
 ASSI {  824}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      8.487 ppm2      8.247 CV     1
 ASSI {  826}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      8.258 ppm2      8.020 CV     1
 ASSI {  827}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.55498E-03 ppm1      8.260 ppm2      4.541 CV     1
 ASSI {  828}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.67752E-03 ppm1      8.258 ppm2      4.460 CV     1
 ASSI {  834}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.000     2.000     2.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.31197E-03 ppm1      8.039 ppm2      0.459 CV     1
 ASSI {  835}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      5.500     3.800     0.500 peak   835 spectrum    1 weight  0.10000E+01 volume  0.22315E-03 ppm1      8.045 ppm2      1.772 CV     1
 OR {  835}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  836}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.200     3.400     0.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.58465E-03 ppm1      8.044 ppm2      1.636 CV     1
 ASSI {  838}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.82420E-03 ppm1      8.043 ppm2      1.202 CV     1
 ASSI {  840}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      5.000     3.200     1.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.30086E-03 ppm1      8.043 ppm2      0.696 CV     1
 ASSI {  842}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.89210E-03 ppm1      8.042 ppm2      2.895 CV     1
 ASSI {  843}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.000     3.200     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.40957E-03 ppm1      8.039 ppm2      2.665 CV     1
 ASSI {  844}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   844 spectrum    1 weight  0.10000E+01 volume  0.27608E-02 ppm1      8.041 ppm2      3.015 CV     1
 ASSI {  845}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.88413E-02 ppm1      8.044 ppm2      4.846 CV     1
 ASSI {  846}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      8.042 ppm2      4.749 CV     1
 ASSI {  847}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.300     0.700     0.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.58503E-02 ppm1      8.043 ppm2      7.309 CV     1
 ASSI {  849}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.46004E-02 ppm1      8.044 ppm2      7.521 CV     1
 ASSI {  850}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.400     1.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.70445E-03 ppm1      8.044 ppm2      8.666 CV     1
 ASSI {  855}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.900     1.900     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.49075E-03 ppm1      7.213 ppm2      4.632 CV     1
 ASSI {  856}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.29509E-02 ppm1      7.213 ppm2      4.313 CV     1
 ASSI {  864}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.300     0.700     0.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.84627E-02 ppm1      7.212 ppm2      1.777 CV     1
 OR {  864}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  867}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.700     1.700     1.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      7.212 ppm2      0.959 CV     1
 ASSI {  874}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.30787E-02 ppm1      8.825 ppm2      2.739 CV     1
 ASSI {  876}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.28592E-03 ppm1      8.741 ppm2      0.371 CV     1
 ASSI {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.900     3.000     1.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.38385E-03 ppm1      8.742 ppm2      2.352 CV     1
 OR {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  888}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.36973E-02 ppm1      8.743 ppm2      8.209 CV     1
 ASSI {  890}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      8.666 ppm2      8.566 CV     1
 ASSI {  891}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.27542E-02 ppm1      8.666 ppm2      4.847 CV     1
 ASSI {  892}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   892 spectrum    1 weight  0.10000E+01 volume  0.39894E-02 ppm1      8.667 ppm2      4.255 CV     1
 ASSI {  895}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak   895 spectrum    1 weight  0.10000E+01 volume  0.30430E-02 ppm1      8.668 ppm2      2.890 CV     1
 ASSI {  896}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.46115E-02 ppm1      8.667 ppm2      2.665 CV     1
 ASSI {  898}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   898 spectrum    1 weight  0.10000E+01 volume  0.38158E-02 ppm1      8.608 ppm2      2.880 CV     1
 ASSI {  899}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.35311E-02 ppm1      8.609 ppm2      2.757 CV     1
 ASSI {  902}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      4.100     2.100     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.44223E-03 ppm1      8.609 ppm2      4.077 CV     1
 OR {  902}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  903}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   903 spectrum    1 weight  0.10000E+01 volume  0.21367E-02 ppm1      8.608 ppm2      4.712 CV     1
 ASSI {  905}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      8.607 ppm2      8.475 CV     1
 ASSI {  910}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.84141E-02 ppm1      8.466 ppm2      4.712 CV     1
 ASSI {  911}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.200     2.200     1.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.84152E-03 ppm1      8.467 ppm2      2.882 CV     1
 ASSI {  912}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.900     1.900     1.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      8.467 ppm2      2.757 CV     1
 ASSI {  913}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.29034E-02 ppm1      8.467 ppm2      1.576 CV     1
 ASSI {  914}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   914 spectrum    1 weight  0.10000E+01 volume  0.36767E-02 ppm1      8.466 ppm2      1.449 CV     1
 ASSI {  915}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.18039E-02 ppm1      8.466 ppm2      1.238 CV     1
 ASSI {  917}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.800     1.800     1.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.14122E-02 ppm1      8.466 ppm2      0.695 CV     1
 ASSI {  920}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.100     3.300     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.55269E-03 ppm1      8.453 ppm2      1.946 CV     1
 ASSI {  923}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.30733E-02 ppm1      8.453 ppm2      3.094 CV     1
 ASSI {  924}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.16100E-02 ppm1      8.451 ppm2      3.603 CV     1
 ASSI {  925}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.11273E-02 ppm1      8.453 ppm2      4.944 CV     1
 ASSI {  926}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.40203E-02 ppm1      8.452 ppm2      4.735 CV     1
 ASSI {  928}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.39372E-03 ppm1      8.452 ppm2      5.265 CV     1
 ASSI {  929}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak   929 spectrum    1 weight  0.10000E+01 volume  0.15305E-02 ppm1      8.453 ppm2      7.120 CV     1
 ASSI {  931}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.47026E-02 ppm1      8.157 ppm2      7.775 CV     1
 ASSI {  932}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.51113E-02 ppm1      8.158 ppm2      8.451 CV     1
 ASSI {  934}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      5.000     3.100     1.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.29302E-03 ppm1      8.155 ppm2      3.282 CV     1
 ASSI {  938}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.24148E-02 ppm1      8.157 ppm2      1.834 CV     1
 ASSI {  939}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      4.200     2.200     1.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.50322E-03 ppm1      8.156 ppm2      1.737 CV     1
 ASSI {  940}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.200     0.600     0.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.97929E-02 ppm1      8.158 ppm2      1.526 CV     1
 ASSI {  941}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      5.000     3.100     1.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.34748E-03 ppm1      8.158 ppm2      1.033 CV     1
 OR {  941}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  942}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.200     2.200     1.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.52660E-03 ppm1      8.002 ppm2      1.130 CV     1
 ASSI {  943}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      4.000     2.000     2.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.78192E-03 ppm1      8.001 ppm2      1.060 CV     1
 OR {  943}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  944}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.900     1.900     1.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.20137E-02 ppm1      8.003 ppm2      0.964 CV     1
 OR {  944}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  947}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.54456E-02 ppm1      8.003 ppm2      2.027 CV     1
 ASSI {  948}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.52296E-02 ppm1      8.003 ppm2      1.925 CV     1
 ASSI {  949}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.600     1.700     1.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      8.002 ppm2      1.824 CV     1
 ASSI {  950}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.200     3.200     2.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.52982E-03 ppm1      8.003 ppm2      1.721 CV     1
 ASSI {  952}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.46110E-02 ppm1      8.003 ppm2      4.275 CV     1
 ASSI {  956}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.58623E-03 ppm1      8.003 ppm2      8.875 CV     1
 ASSI {  957}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.52403E-03 ppm1      8.156 ppm2      8.906 CV     1
 ASSI {  958}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.600     1.700     1.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.60393E-03 ppm1      7.964 ppm2      8.147 CV     1
 ASSI {  961}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   961 spectrum    1 weight  0.10000E+01 volume  0.13098E-02 ppm1      7.968 ppm2      4.747 CV     1
 ASSI {  963}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.600     1.600     1.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.14387E-02 ppm1      7.967 ppm2      3.292 CV     1
 ASSI {  964}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.59246E-03 ppm1      7.967 ppm2      3.013 CV     1
 ASSI {  965}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.19220E-02 ppm1      7.967 ppm2      2.853 CV     1
 ASSI {  966}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.39605E-02 ppm1      7.967 ppm2      1.527 CV     1
 ASSI {  968}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.400     2.400     1.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.42313E-03 ppm1      7.827 ppm2      1.037 CV     1
 ASSI {  970}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.500     1.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      7.826 ppm2      4.139 CV     1
 ASSI {  972}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     1.600     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.72029E-03 ppm1      7.827 ppm2      3.947 CV     1
 ASSI {  973}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.42196E-02 ppm1      7.827 ppm2      4.367 CV     1
 ASSI {  974}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.200     1.200 peak   974 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      7.826 ppm2      4.571 CV     1
 ASSI {  975}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.31447E-02 ppm1      7.827 ppm2      8.245 CV     1
 ASSI {  980}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.39012E-03 ppm1      9.426 ppm2      4.908 CV     1
 ASSI {  984}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.600     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.54195E-02 ppm1      9.426 ppm2      1.578 CV     1
 OR {  984}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  985}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   985 spectrum    1 weight  0.10000E+01 volume  0.29750E-02 ppm1      9.426 ppm2      1.477 CV     1
 ASSI {  986}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.43011E-02 ppm1      9.426 ppm2      1.374 CV     1
 ASSI {  989}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.81639E-03 ppm1      9.427 ppm2      0.795 CV     1
 ASSI {  990}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13491E-02 ppm1      9.426 ppm2      0.628 CV     1
 ASSI {  994}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.15233E-02 ppm1      8.148 ppm2      0.966 CV     1
 ASSI {  996}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.50010E-02 ppm1      8.151 ppm2      1.711 CV     1
 ASSI {  997}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.54595E-02 ppm1      8.149 ppm2      1.609 CV     1
 ASSI {  999}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.500     1.500     1.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.25685E-02 ppm1      8.149 ppm2      1.379 CV     1
 ASSI { 1000}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      4.000     2.000     2.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.13421E-02 ppm1      8.150 ppm2      4.184 CV     1
 ASSI { 1002}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.86189E-03 ppm1      8.149 ppm2      9.424 CV     1
 ASSI { 1004}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.900     3.000     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.43567E-03 ppm1      8.297 ppm2      0.861 CV     1
 ASSI { 1007}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      4.300     2.300     1.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.69724E-03 ppm1      8.302 ppm2      1.115 CV     1
 ASSI { 1008}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.400     2.400     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.68834E-03 ppm1      8.296 ppm2      1.020 CV     1
 ASSI { 1009}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.44901E-03 ppm1      8.303 ppm2      2.345 CV     1
 OR { 1009}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1010}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.300     2.300     1.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.66441E-03 ppm1      8.295 ppm2      3.771 CV     1
 ASSI { 1011}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.46321E-02 ppm1      8.300 ppm2      4.828 CV     1
 ASSI { 1012}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.12059E-02 ppm1      8.298 ppm2      4.653 CV     1
 ASSI { 1013}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.63310E-03 ppm1      8.300 ppm2      8.478 CV     1
 ASSI { 1025}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.48957E-02 ppm1      7.774 ppm2      1.886 CV     1
 ASSI { 1027}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      3.800     1.800     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.22066E-02 ppm1      7.776 ppm2      1.744 CV     1
 ASSI { 1030}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.200     2.200     1.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.67643E-03 ppm1      7.773 ppm2      3.289 CV     1
 ASSI { 1033}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      4.000     2.100     2.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.55772E-03 ppm1      7.776 ppm2      4.182 CV     1
 ASSI { 1035}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      4.500     2.500     1.500 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.35815E-03 ppm1      7.773 ppm2      3.473 CV     1
 ASSI { 1036}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.100     2.100     1.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.59421E-03 ppm1      7.836 ppm2      2.274 CV     1
 ASSI { 1037}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.100     2.100     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.47531E-03 ppm1      7.838 ppm2      2.134 CV     1
 ASSI { 1039}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.21308E-02 ppm1      7.774 ppm2      8.919 CV     1
 ASSI { 1043}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.53075E-03 ppm1      7.593 ppm2      4.910 CV     1
 ASSI { 1044}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      7.593 ppm2      3.744 CV     1
 ASSI { 1045}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.700     0.900     0.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.41417E-02 ppm1      7.593 ppm2      4.029 CV     1
 OR { 1045}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {    1}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      3.627 ppm2      8.109 CV     1
 ASSI {    2}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      3.579 ppm2      8.109 CV     1
 ASSI {    8}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.65660E-03 ppm1      8.115 ppm2      1.074 CV     1
 ASSI {    9}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      2.200     0.600     0.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.94460E-03 ppm1      8.114 ppm2      0.937 CV     1
 ASSI {   10}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H31%)
      3.000     3.000     3.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.15688E-03 ppm1      8.266 ppm2      1.077 CV     1
 ASSI {   12}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.15086E-02 ppm1      4.121 ppm2      0.937 CV     1
 ASSI {   13}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.000     0.500     0.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.37243E-02 ppm1      3.908 ppm2      0.937 CV     1
 ASSI {   14}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.14369E-02 ppm1      3.909 ppm2      1.075 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25191E-02 ppm1      4.120 ppm2      1.074 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.36781E-02 ppm1      3.465 ppm2      0.937 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.20473E-02 ppm1      3.464 ppm2      1.074 CV     1
 ASSI {   18}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42B))
      3.100     1.200     1.200 peak    18 spectrum    1 weight  0.10000E+01 volume  0.57236E-03 ppm1      2.768 ppm2      3.473 CV     1
 OR {   18}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42A))
 OR {   18}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42B))
 OR {   18}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42A))
 ASSI {   19}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37B))
      3.100     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.57094E-03 ppm1      2.588 ppm2      3.630 CV     1
 OR {   19}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37B))
 ASSI {   20}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37A))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.44312E-03 ppm1      2.587 ppm2      3.564 CV     1
 OR {   20}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37A))
 ASSI {   21}
   (( segid "    " and resid 42   and name H1B ))
   (( segid "    " and resid 42   and name H2A ))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.80661E-02 ppm1      2.856 ppm2      3.028 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name H1A ))
   (( segid "    " and resid 42   and name H2B ))
 OR {   21}
   (( segid "    " and resid 42   and name H1A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {   21}
   (( segid "    " and resid 42   and name H1B ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   22}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H28B))
      1.400     0.300     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.51151E-02 ppm1      3.465 ppm2      3.899 CV     1
 ASSI {   23}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.76121E-03 ppm1      3.469 ppm2      4.117 CV     1
 ASSI {   24}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      3.400     1.400     1.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12512E-02 ppm1      3.909 ppm2      4.117 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.15878E-02 ppm1      4.121 ppm2      8.108 CV     1
 ASSI {   26}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
      3.100     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.59639E-03 ppm1      3.467 ppm2      8.268 CV     1
 OR {   26}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   27}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      2.591 ppm2      8.266 CV     1
 OR {   27}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   28}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.77378E-03 ppm1      2.591 ppm2      8.109 CV     1
 OR {   28}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   29}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H41A))
      3.800     1.800     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.16930E-03 ppm1      2.762 ppm2      8.265 CV     1
 OR {   29}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   30}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H32A))
      4.100     2.100     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.37859E-03 ppm1      3.584 ppm2      4.115 CV     1
 ASSI {    2}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
      2.800     2.800     3.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.11024E-02 ppm1      2.597 ppm2      1.078 CV     1
 OR {    2}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    6}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.16593E-02 ppm1      2.757 ppm2      0.941 CV     1
 ASSI {    7}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
      4.500     2.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10441E-02 ppm1      2.592 ppm2      0.940 CV     1
 OR {    7}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   12}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      4.900     3.000     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.66747E-03 ppm1      4.355 ppm2      0.940 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
      4.600     2.600     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      4.193 ppm2      1.080 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.15337E-02 ppm1      4.348 ppm2      1.076 CV     1
 ASSI {   19}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.62103E-03 ppm1      4.522 ppm2      1.078 CV     1
 ASSI {   23}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      3.000     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.74067E-03 ppm1      8.272 ppm2      0.939 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H36A))
      6.000     4.800     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.57012E-03 ppm1      3.904 ppm2      8.112 CV     1
 ASSI {    4}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      2.776 ppm2      4.245 CV     1
 OR {    4}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {    4}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {    6}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      2.641 ppm2      7.833 CV     1
 OR {    6}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   10}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1      2.272 ppm2      7.821 CV     1
 OR {   10}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 OR {   10}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI {   21}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.21996E-02 ppm1      1.594 ppm2      3.899 CV     1
 OR {   21}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {   22}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.18257E-02 ppm1      1.544 ppm2      4.259 CV     1
 OR {   22}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {   31}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      4.309 ppm2      2.431 CV     1
 OR {   31}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {   32}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.28563E-02 ppm1      4.313 ppm2      2.225 CV     1
 OR {   32}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {   39}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.43583E-03 ppm1      7.215 ppm2      8.041 CV     1
 OR {   39}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 OR {   39}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 OR {   39}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
 ASSI {   45}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.600     2.700     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.28916E-03 ppm1      6.912 ppm2      0.888 CV     1
 OR {   45}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 OR {   45}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {   47}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.31839E-03 ppm1      6.893 ppm2      0.764 CV     1
 OR {   47}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {   48}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      5.700     4.100     0.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.18275E-03 ppm1      6.892 ppm2      1.332 CV     1
 OR {   48}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {   60}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.500     0.800     0.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.57733E-02 ppm1      0.802 ppm2      1.063 CV     1
 OR {   60}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 OR {   60}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {   61}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.200     2.200     3.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.50896E-02 ppm1      0.802 ppm2      1.001 CV     1
 OR {   61}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
 OR {   61}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {   61}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI {   62}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.800     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10569E-02 ppm1      0.799 ppm2      1.144 CV     1
 OR {   62}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {   66}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.90685E-02 ppm1      0.860 ppm2      0.985 CV     1
 OR {   66}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
 OR {   66}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 OR {   66}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
 ASSI {   69}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11492E-01 ppm1      0.860 ppm2      1.519 CV     1
 OR {   69}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {   70}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
      3.400     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23550E-02 ppm1      0.868 ppm2      1.380 CV     1
 OR {   70}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI {   71}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.600     0.900     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.23789E-02 ppm1      0.871 ppm2      1.294 CV     1
 OR {   71}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
 ASSI {   72}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12486E-02 ppm1      0.864 ppm2      1.217 CV     1
 OR {   72}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
 OR {   72}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
 ASSI {   73}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16207E-02 ppm1      0.799 ppm2      1.535 CV     1
 OR {   73}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {   76}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.93969E-02 ppm1      0.869 ppm2      1.818 CV     1
 OR {   76}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
 OR {   76}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {   78}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.18745E-02 ppm1      0.864 ppm2      2.209 CV     1
 OR {   78}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 OR {   78}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {   83}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.14704E-02 ppm1      0.867 ppm2      2.784 CV     1
 OR {   83}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {   85}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      4.100     2.100     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.51043E-03 ppm1      0.866 ppm2      2.013 CV     1
 OR {   85}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
 OR {   85}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {   86}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      4.300     2.400     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.76487E-03 ppm1      0.876 ppm2      3.298 CV     1
 OR {   86}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {   87}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      0.875 ppm2      3.010 CV     1
 OR {   87}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   88}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.18550E-02 ppm1      0.855 ppm2      3.962 CV     1
 OR {   88}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {   93}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.51149E-03 ppm1      0.802 ppm2      4.111 CV     1
 OR {   93}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {   94}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.000     3.000     3.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      0.801 ppm2      4.311 CV     1
 OR {   94}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   96}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.72144E-03 ppm1      0.861 ppm2      4.265 CV     1
 OR {   96}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HA1 ))
 OR {   96}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {   97}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.22984E-02 ppm1      0.861 ppm2      4.659 CV     1
 OR {   97}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {   98}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.11398E-02 ppm1      0.872 ppm2      7.313 CV     1
 OR {   98}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 OR {   98}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI {   99}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.11595E-02 ppm1      0.874 ppm2      7.213 CV     1
 OR {   99}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  104}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.15230E-02 ppm1      0.874 ppm2      7.719 CV     1
 OR {  104}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  108}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.10542E-02 ppm1      0.851 ppm2      8.297 CV     1
 OR {  108}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  110}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.56225E-03 ppm1      0.865 ppm2      8.461 CV     1
 OR {  110}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 OR {  110}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  111}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.600     1.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.27883E-03 ppm1      0.804 ppm2      8.414 CV     1
 OR {  111}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  119}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.15952E-02 ppm1      1.024 ppm2      8.269 CV     1
 OR {  119}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  124}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.53838E-02 ppm1      1.532 ppm2      4.255 CV     1
 OR {  124}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 OR {  124}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  128}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.12969E-01 ppm1      1.651 ppm2      4.264 CV     1
 OR {  128}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  132}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.28561E-02 ppm1      1.021 ppm2      4.007 CV     1
 OR {  132}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  140}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.300     2.300     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      1.532 ppm2      2.202 CV     1
 OR {  140}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  141}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.71336E-03 ppm1      0.876 ppm2      2.769 CV     1
 OR {  141}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 OR {  141}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  147}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.24497E-02 ppm1      0.878 ppm2      1.605 CV     1
 OR {  147}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
 ASSI {  148}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
      3.200     1.300     1.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.18127E-02 ppm1      0.877 ppm2      1.558 CV     1
 OR {  148}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  148}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  148}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  149}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.200     0.600     0.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.80426E-02 ppm1      1.022 ppm2      1.806 CV     1
 OR {  149}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  157}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD1%)
      2.900     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.38727E-02 ppm1      1.530 ppm2      1.039 CV     1
 OR {  157}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
 OR {  157}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD2%)
 OR {  157}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  158}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.900     1.100     1.100 peak   158 spectrum    1 weight  0.10000E+01 volume  0.33584E-02 ppm1      1.531 ppm2      0.852 CV     1
 OR {  158}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 OR {  158}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  162}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      1.058 ppm2      7.717 CV     1
 OR {  162}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  164}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.28068E-03 ppm1      1.059 ppm2      8.480 CV     1
 OR {  164}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  182}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.46248E-02 ppm1      1.668 ppm2      8.405 CV     1
 OR {  182}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  192}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.62076E-03 ppm1      1.062 ppm2      4.291 CV     1
 OR {  192}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  196}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.22644E-02 ppm1      1.397 ppm2      4.253 CV     1
 OR {  196}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  198}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.600     1.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1      1.531 ppm2      3.914 CV     1
 OR {  198}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  202}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.12333E-01 ppm1      1.668 ppm2      4.402 CV     1
 OR {  202}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  203}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.59273E-03 ppm1      1.629 ppm2      4.664 CV     1
 OR {  203}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  211}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.82524E-03 ppm1      1.395 ppm2      2.841 CV     1
 OR {  211}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  212}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
      3.400     1.400     1.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.76919E-03 ppm1      1.394 ppm2      2.757 CV     1
 OR {  212}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB2 ))
 OR {  212}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  213}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.89150E-03 ppm1      1.060 ppm2      3.092 CV     1
 OR {  213}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  214}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      1.060 ppm2      2.990 CV     1
 OR {  214}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  220}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      4.800     2.800     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.38337E-03 ppm1      1.524 ppm2      2.342 CV     1
 OR {  220}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 OR {  220}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  223}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.33457E-02 ppm1      1.667 ppm2      2.032 CV     1
 OR {  223}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR {  223}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  224}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      1.667 ppm2      2.215 CV     1
 OR {  224}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  231}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
      3.000     1.200     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.40333E-02 ppm1      1.397 ppm2      0.988 CV     1
 OR {  231}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
 OR {  231}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  232}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      2.300     2.300     3.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.40445E-02 ppm1      1.609 ppm2      0.884 CV     1
 OR {  232}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  233}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.900     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.58705E-02 ppm1      1.630 ppm2      0.959 CV     1
 OR {  233}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 OR {  233}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  242}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      3.900     1.900     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.94149E-03 ppm1      1.398 ppm2      0.855 CV     1
 OR {  242}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  246}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   246 spectrum    1 weight  0.10000E+01 volume  0.12541E-02 ppm1      1.544 ppm2      8.490 CV     1
 OR {  246}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 OR {  246}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  253}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      3.900     1.900     1.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.38957E-03 ppm1      1.211 ppm2      8.013 CV     1
 OR {  253}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  258}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.96356E-03 ppm1      0.918 ppm2      8.283 CV     1
 OR {  258}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  260}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.75952E-03 ppm1      0.918 ppm2      7.985 CV     1
 OR {  260}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
 OR {  260}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  262}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.58656E-02 ppm1      0.919 ppm2      7.466 CV     1
 OR {  262}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HD% )
 ASSI {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      1.209 ppm2      7.494 CV     1
 OR {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  264}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE  ))
      2.800     2.800     3.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10996E-02 ppm1      1.207 ppm2      7.399 CV     1
 OR {  264}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  271}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.47272E-02 ppm1      0.919 ppm2      4.107 CV     1
 OR {  271}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA1 ))
 OR {  271}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  276}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.14717E-02 ppm1      0.919 ppm2      3.747 CV     1
 OR {  276}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  279}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.17662E-02 ppm1      1.544 ppm2      4.067 CV     1
 OR {  279}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
 OR {  279}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  282}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.26137E-02 ppm1      1.568 ppm2      4.221 CV     1
 OR {  282}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  291}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      0.919 ppm2      2.784 CV     1
 OR {  291}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  292}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.89953E-02 ppm1      1.210 ppm2      2.408 CV     1
 OR {  292}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  293}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      4.200     2.300     1.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.88020E-03 ppm1      1.205 ppm2      2.275 CV     1
 OR {  293}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  297}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.52072E-03 ppm1      1.208 ppm2      2.050 CV     1
 OR {  297}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  302}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
      3.900     1.900     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.13862E-02 ppm1      0.918 ppm2      1.503 CV     1
 OR {  302}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 86   and name HB% )
 OR {  302}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  305}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.63037E-02 ppm1      1.209 ppm2      1.001 CV     1
 OR {  305}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  306}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.800     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.39397E-02 ppm1      1.209 ppm2      0.953 CV     1
 OR {  306}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  306}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  309}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.800     1.000     1.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.39615E-02 ppm1      1.646 ppm2      0.982 CV     1
 OR {  309}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  310}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30528E-02 ppm1      1.570 ppm2      0.979 CV     1
 OR {  310}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 OR {  310}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  314}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
      3.300     3.300     2.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.19170E-02 ppm1      1.122 ppm2      0.939 CV     1
 OR {  314}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  314}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 55   and name HG2 ))
 OR {  314}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  318}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.800     1.000     1.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.34147E-02 ppm1      1.124 ppm2      2.037 CV     1
 OR {  318}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  319}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.30190E-02 ppm1      1.122 ppm2      1.878 CV     1
 OR {  319}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  320}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.12117E-02 ppm1      1.124 ppm2      2.202 CV     1
 OR {  320}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  324}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.13248E-02 ppm1      1.123 ppm2      1.547 CV     1
 OR {  324}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  326}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.81737E-03 ppm1      0.971 ppm2      3.569 CV     1
 OR {  326}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  328}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.16969E-02 ppm1      0.972 ppm2      3.992 CV     1
 OR {  328}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  330}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.17799E-02 ppm1      1.039 ppm2      4.048 CV     1
 OR {  330}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA1 ))
 OR {  330}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  332}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.77225E-02 ppm1      1.123 ppm2      3.955 CV     1
 OR {  332}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  333}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.10226E-01 ppm1      1.123 ppm2      4.409 CV     1
 OR {  333}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  337}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.500     1.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.29088E-02 ppm1      0.972 ppm2      7.390 CV     1
 OR {  337}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 67   and name HE  ))
 ASSI {  338}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      4.800     2.900     1.200 peak   338 spectrum    1 weight  0.10000E+01 volume  0.35415E-03 ppm1      1.040 ppm2      7.807 CV     1
 OR {  338}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  339}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.17326E-02 ppm1      1.123 ppm2      8.416 CV     1
 OR {  339}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  342}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.32401E-02 ppm1      1.038 ppm2      8.471 CV     1
 OR {  342}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  343}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      1.039 ppm2      8.218 CV     1
 OR {  343}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  344}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   344 spectrum    1 weight  0.10000E+01 volume  0.30150E-02 ppm1      0.971 ppm2      8.254 CV     1
 OR {  344}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  350}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.700     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.20289E-02 ppm1      1.076 ppm2      8.457 CV     1
 OR {  350}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  361}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.16562E-02 ppm1      1.244 ppm2      8.486 CV     1
 OR {  361}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  366}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.27057E-03 ppm1      1.114 ppm2      7.976 CV     1
 OR {  366}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  367}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.33250E-03 ppm1      1.113 ppm2      7.820 CV     1
 OR {  367}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 OR {  367}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  377}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.12567E-02 ppm1      0.957 ppm2      7.213 CV     1
 OR {  377}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  399}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      4.400     2.400     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.82688E-03 ppm1      1.114 ppm2      4.383 CV     1
 OR {  399}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  399}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 OR {  399}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  400}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.800     2.900     1.200 peak   400 spectrum    1 weight  0.10000E+01 volume  0.64895E-03 ppm1      1.117 ppm2      4.204 CV     1
 OR {  400}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  415}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.13277E-02 ppm1      1.065 ppm2      3.963 CV     1
 OR {  415}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  415}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  415}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  418}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.100     2.100     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.49857E-03 ppm1      0.972 ppm2      3.746 CV     1
 OR {  418}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  421}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD2 ))
      3.800     1.800     1.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.43275E-03 ppm1      1.074 ppm2      3.337 CV     1
 OR {  421}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  424}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.12529E-02 ppm1      1.414 ppm2      2.709 CV     1
 OR {  424}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 OR {  424}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  428}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.16562E-02 ppm1      0.970 ppm2      2.786 CV     1
 OR {  428}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  430}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HG1 ))
      5.300     3.400     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.40504E-03 ppm1      1.116 ppm2      2.621 CV     1
 OR {  430}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  436}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.10553E-01 ppm1      1.115 ppm2      2.273 CV     1
 OR {  436}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  438}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.800     1.800     1.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1      1.116 ppm2      2.012 CV     1
 OR {  438}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
 OR {  438}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  438}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  439}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      3.700     1.700     1.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      1.064 ppm2      1.934 CV     1
 OR {  439}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
 OR {  439}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  441}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
      4.200     2.200     1.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.90767E-03 ppm1      1.078 ppm2      2.177 CV     1
 OR {  441}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  450}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.29314E-02 ppm1      1.114 ppm2      1.412 CV     1
 OR {  450}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  452}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.300     1.400     1.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      1.059 ppm2      1.533 CV     1
 OR {  452}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  452}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 OR {  452}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  452}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  453}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HG2 ))
      5.600     4.000     0.400 peak   453 spectrum    1 weight  0.10000E+01 volume  0.15436E-03 ppm1      1.067 ppm2      1.527 CV     1
 OR {  453}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
 ASSI {  454}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.73805E-03 ppm1      1.112 ppm2      1.563 CV     1
 OR {  454}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HG  ))
 OR {  454}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  461}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
      2.800     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.38901E-02 ppm1      1.065 ppm2      0.795 CV     1
 OR {  461}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  461}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  465}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.52085E-03 ppm1      1.384 ppm2      8.040 CV     1
 OR {  465}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  472}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      1.041 ppm2      8.062 CV     1
 OR {  472}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  473}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.600     2.600     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.56482E-03 ppm1      0.883 ppm2      8.276 CV     1
 OR {  473}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  476}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.55701E-03 ppm1      0.986 ppm2      7.964 CV     1
 OR {  476}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  477}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.15630E-02 ppm1      0.691 ppm2      8.466 CV     1
 OR {  477}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  482}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.59131E-03 ppm1      0.457 ppm2      8.054 CV     1
 OR {  482}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  484}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.37991E-03 ppm1      0.202 ppm2      8.244 CV     1
 OR {  484}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  490}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      4.000     2.000     2.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      1.124 ppm2      7.482 CV     1
 OR {  490}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  496}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.11868E-02 ppm1      1.041 ppm2      7.696 CV     1
 OR {  496}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
 OR {  496}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 OR {  496}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
 ASSI {  503}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.44512E-03 ppm1      0.692 ppm2      6.953 CV     1
 OR {  503}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  506}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.80257E-03 ppm1      0.692 ppm2      7.207 CV     1
 OR {  506}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  509}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.200     1.300     1.300 peak   509 spectrum    1 weight  0.10000E+01 volume  0.15970E-02 ppm1      0.457 ppm2      7.215 CV     1
 OR {  509}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  517}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.500     1.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.17357E-02 ppm1      0.200 ppm2      6.956 CV     1
 OR {  517}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  529}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
      4.900     3.000     1.100 peak   529 spectrum    1 weight  0.10000E+01 volume  0.43152E-03 ppm1      1.037 ppm2      4.096 CV     1
 OR {  529}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  529}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 54   and name HB1 ))
 OR {  529}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  530}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17229E-02 ppm1      1.043 ppm2      3.895 CV     1
 OR {  530}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  536}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.11561E-01 ppm1      1.043 ppm2      4.212 CV     1
 OR {  536}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  537}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      1.039 ppm2      4.407 CV     1
 OR {  537}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  537}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  539}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.50550E-03 ppm1      0.987 ppm2      4.686 CV     1
 OR {  539}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  542}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.75739E-02 ppm1      0.757 ppm2      4.398 CV     1
 OR {  542}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  546}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak   546 spectrum    1 weight  0.10000E+01 volume  0.11780E-02 ppm1      0.459 ppm2      3.872 CV     1
 OR {  546}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  550}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
      2.400     0.700     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.38911E-02 ppm1      0.200 ppm2      3.900 CV     1
 OR {  550}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  552}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.66752E-03 ppm1      0.200 ppm2      4.405 CV     1
 OR {  552}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  553}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.88041E-03 ppm1      0.201 ppm2      4.258 CV     1
 OR {  553}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  555}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.64185E-03 ppm1      0.366 ppm2      4.383 CV     1
 OR {  555}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  556}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.18270E-02 ppm1      0.364 ppm2      4.259 CV     1
 OR {  556}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  556}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  557}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 66   and name HA1 ))
      5.700     4.100     0.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.40973E-03 ppm1      0.366 ppm2      4.152 CV     1
 OR {  557}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  558}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.200     2.200     1.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.64835E-03 ppm1      0.758 ppm2      3.918 CV     1
 OR {  558}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  558}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  559}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 24   and name HB  ))
      4.000     2.000     2.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.53497E-03 ppm1      0.693 ppm2      4.235 CV     1
 OR {  559}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  559}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 28   and name HA1 ))
 ASSI {  568}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.000     2.000     2.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.45420E-03 ppm1      0.366 ppm2      2.778 CV     1
 OR {  568}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  568}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  569}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      0.199 ppm2      2.780 CV     1
 OR {  569}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HG2 ))
 OR {  569}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  572}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.60645E-03 ppm1      0.201 ppm2      3.006 CV     1
 OR {  572}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  573}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      4.600     2.600     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.46387E-03 ppm1      0.460 ppm2      3.017 CV     1
 OR {  573}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
 OR {  573}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  575}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      1.040 ppm2      3.018 CV     1
 OR {  575}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {  575}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  576}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      4.900     3.000     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.41085E-03 ppm1      0.365 ppm2      2.427 CV     1
 OR {  576}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  581}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      4.500     2.600     1.500 peak   581 spectrum    1 weight  0.10000E+01 volume  0.11862E-02 ppm1      0.458 ppm2      1.871 CV     1
 OR {  581}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  582}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.200     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.27601E-02 ppm1      0.458 ppm2      1.642 CV     1
 OR {  582}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  583}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   583 spectrum    1 weight  0.10000E+01 volume  0.44135E-02 ppm1      0.364 ppm2      1.551 CV     1
 OR {  583}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 44   and name HB% )
 ASSI {  589}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   589 spectrum    1 weight  0.10000E+01 volume  0.30582E-02 ppm1      0.692 ppm2      1.439 CV     1
 OR {  589}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  590}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.900     1.900     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.71090E-03 ppm1      0.693 ppm2      1.990 CV     1
 OR {  590}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  607}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.81950E-03 ppm1      0.757 ppm2      1.531 CV     1
 OR {  607}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 44   and name HB% )
 OR {  607}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
 OR {  607}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  607}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  609}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      2.100     0.500     0.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.13919E-01 ppm1      1.040 ppm2      1.673 CV     1
 OR {  609}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  610}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.70669E-02 ppm1      1.042 ppm2      1.558 CV     1
 OR {  610}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  610}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  613}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
      2.400     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.84660E-02 ppm1      1.040 ppm2      0.616 CV     1
 OR {  613}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
 OR {  613}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
 OR {  613}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  614}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.42989E-02 ppm1      1.383 ppm2      0.777 CV     1
 OR {  614}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  616}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.75870E-02 ppm1      1.124 ppm2      0.990 CV     1
 OR {  616}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  616}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  616}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  617}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.16049E-01 ppm1      1.040 ppm2      0.853 CV     1
 OR {  617}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  618}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.70576E-02 ppm1      1.039 ppm2      0.792 CV     1
 OR {  618}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  618}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  641}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.200     1.300     1.300 peak   641 spectrum    1 weight  0.10000E+01 volume  0.22808E-02 ppm1      0.199 ppm2      0.981 CV     1
 OR {  641}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  641}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  648}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.47896E-02 ppm1      0.693 ppm2      1.054 CV     1
 OR {  648}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  649}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.76629E-02 ppm1      0.757 ppm2      1.120 CV     1
 OR {  649}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 OR {  649}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  650}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.000     1.100     1.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.30963E-02 ppm1      0.757 ppm2      1.023 CV     1
 OR {  650}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  657}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.83256E-03 ppm1      0.795 ppm2      8.060 CV     1
 OR {  657}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  670}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.45318E-03 ppm1      0.793 ppm2      4.212 CV     1
 OR {  670}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  670}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  670}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  670}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  676}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      2.700     0.900     0.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.25230E-02 ppm1      0.792 ppm2      1.684 CV     1
 OR {  676}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  677}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.76143E-02 ppm1      0.794 ppm2      1.563 CV     1
 OR {  677}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  677}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  677}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  678}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.44887E-02 ppm1      0.796 ppm2      1.375 CV     1
 OR {  678}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  679}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.400     1.400     1.400 peak   679 spectrum    1 weight  0.10000E+01 volume  0.90210E-03 ppm1      0.795 ppm2      1.913 CV     1
 OR {  679}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  679}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  685}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.200     1.200 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13891E-02 ppm1      0.963 ppm2      2.007 CV     1
 OR {  685}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
 OR {  685}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  686}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.59716E-02 ppm1      0.952 ppm2      1.616 CV     1
 OR {  686}
   (  segid "    " and resid 4    and name HD2%)
   (  segid "    " and resid 83   and name HB% )
 ASSI {  688}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.700     0.900     0.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.37530E-02 ppm1      0.795 ppm2      1.133 CV     1
 OR {  688}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  689}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.16270E-02 ppm1      0.591 ppm2      0.947 CV     1
 OR {  689}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 4    and name HD2%)
 OR {  689}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 58   and name HG1%)
 OR {  689}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 55   and name HG2 ))
 OR {  689}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  690}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.44853E-02 ppm1      0.599 ppm2      1.036 CV     1
 OR {  690}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  692}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.39527E-02 ppm1      0.638 ppm2      0.899 CV     1
 OR {  692}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  693}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.65599E-02 ppm1      0.597 ppm2      0.869 CV     1
 OR {  693}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  700}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
      3.700     1.700     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13299E-02 ppm1      1.701 ppm2      0.982 CV     1
 OR {  700}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  700}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  700}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  700}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  707}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak   707 spectrum    1 weight  0.10000E+01 volume  0.23976E-02 ppm1      1.693 ppm2      1.553 CV     1
 OR {  707}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  712}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 38   and name HG2%)
      2.500     2.500     3.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.20384E-02 ppm1      0.797 ppm2      1.083 CV     1
 OR {  712}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  715}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.400     0.800     0.800 peak   715 spectrum    1 weight  0.10000E+01 volume  0.56187E-02 ppm1      0.984 ppm2      1.563 CV     1
 OR {  715}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  721}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      2.000     0.500     0.500 peak   721 spectrum    1 weight  0.10000E+01 volume  0.20934E-01 ppm1      0.872 ppm2      1.692 CV     1
 OR {  721}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  722}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   722 spectrum    1 weight  0.10000E+01 volume  0.94887E-02 ppm1      0.872 ppm2      1.546 CV     1
 OR {  722}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  722}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  724}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.40359E-02 ppm1      0.869 ppm2      1.391 CV     1
 OR {  724}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  724}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  726}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.800     0.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.60339E-02 ppm1      0.799 ppm2      1.447 CV     1
 OR {  726}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  727}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.53994E-02 ppm1      0.781 ppm2      1.625 CV     1
 OR {  727}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  735}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.300     0.600     0.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.97219E-02 ppm1      0.869 ppm2      2.202 CV     1
 OR {  735}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  739}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      4.000     2.000     2.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10852E-02 ppm1      0.597 ppm2      1.704 CV     1
 OR {  739}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  740}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      4.200     2.200     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.80623E-03 ppm1      0.638 ppm2      1.687 CV     1
 OR {  740}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  744}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      4.100     2.100     1.900 peak   744 spectrum    1 weight  0.10000E+01 volume  0.14839E-02 ppm1      1.064 ppm2      3.010 CV     1
 OR {  744}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  753}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   753 spectrum    1 weight  0.10000E+01 volume  0.80983E-03 ppm1      0.639 ppm2      4.213 CV     1
 OR {  753}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  755}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.19575E-02 ppm1      0.597 ppm2      3.893 CV     1
 OR {  755}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  761}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.400     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.29454E-02 ppm1      0.871 ppm2      3.892 CV     1
 OR {  761}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  765}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.16325E-02 ppm1      0.983 ppm2      4.222 CV     1
 OR {  765}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  770}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.63518E-03 ppm1      0.639 ppm2      8.058 CV     1
 OR {  770}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  780}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.700     1.700     1.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      0.873 ppm2      7.332 CV     1
 OR {  780}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  787}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      2.600     2.600     3.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.18445E-02 ppm1      0.871 ppm2      8.731 CV     1
 OR {  787}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 OR {  787}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  788}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      3.700     1.700     1.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.16507E-02 ppm1      0.873 ppm2      7.675 CV     1
 OR {  788}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  803}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.900     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.30635E-03 ppm1      0.599 ppm2      3.459 CV     1
 OR {  803}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 51   and name HD1 ))
 ASSI {  805}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      4.700     2.800     1.300 peak   805 spectrum    1 weight  0.10000E+01 volume  0.40836E-03 ppm1      0.642 ppm2      2.322 CV     1
 OR {  805}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  806}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      4.900     3.000     1.100 peak   806 spectrum    1 weight  0.10000E+01 volume  0.31587E-03 ppm1      0.597 ppm2      2.322 CV     1
 OR {  806}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  807}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.200     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.84043E-03 ppm1      0.873 ppm2      2.767 CV     1
 OR {  807}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  807}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  821}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.33295E-02 ppm1      1.827 ppm2      7.717 CV     1
 OR {  821}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  840}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.68397E-03 ppm1      1.202 ppm2      8.048 CV     1
 OR {  840}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  844}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.27183E-02 ppm1      1.546 ppm2      7.716 CV     1
 OR {  844}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  849}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.500     1.500     1.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.94712E-03 ppm1      1.402 ppm2      7.320 CV     1
 OR {  849}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  862}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.26460E-02 ppm1      1.828 ppm2      4.381 CV     1
 OR {  862}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  876}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   876 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      1.356 ppm2      4.262 CV     1
 OR {  876}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  878}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   878 spectrum    1 weight  0.10000E+01 volume  0.14664E-02 ppm1      1.360 ppm2      3.897 CV     1
 OR {  878}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  881}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      1.127 ppm2      4.221 CV     1
 OR {  881}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  882}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak   882 spectrum    1 weight  0.10000E+01 volume  0.17555E-02 ppm1      1.127 ppm2      3.885 CV     1
 OR {  882}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  887}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.13633E-02 ppm1      0.893 ppm2      4.392 CV     1
 OR {  887}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  887}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  888}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.96804E-03 ppm1      0.895 ppm2      4.224 CV     1
 OR {  888}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  888}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  892}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.500     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.54684E-03 ppm1      1.127 ppm2      3.306 CV     1
 OR {  892}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  900}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.74826E-03 ppm1      1.324 ppm2      3.303 CV     1
 OR {  900}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  901}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.75149E-03 ppm1      1.369 ppm2      2.772 CV     1
 OR {  901}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HG2 ))
 OR {  901}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  911}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak   911 spectrum    1 weight  0.10000E+01 volume  0.50719E-03 ppm1      1.828 ppm2      2.779 CV     1
 OR {  911}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  913}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.700     2.700     1.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10555E-02 ppm1      2.187 ppm2      3.298 CV     1
 OR {  913}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  926}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.17385E-02 ppm1      1.127 ppm2      2.005 CV     1
 OR {  926}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
 OR {  926}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  928}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.100     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.27374E-02 ppm1      2.132 ppm2      1.011 CV     1
 OR {  928}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  928}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  928}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  930}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      2.184 ppm2      0.891 CV     1
 OR {  930}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  934}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      3.300     1.400     1.400 peak   934 spectrum    1 weight  0.10000E+01 volume  0.28044E-02 ppm1      1.829 ppm2      1.059 CV     1
 OR {  934}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  936}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.500     0.800     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.43153E-02 ppm1      1.887 ppm2      1.041 CV     1
 OR {  936}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  939}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.63196E-02 ppm1      1.830 ppm2      0.877 CV     1
 OR {  939}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  939}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  947}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.700     2.700     3.300 peak   947 spectrum    1 weight  0.10000E+01 volume  0.28717E-02 ppm1      1.838 ppm2      0.980 CV     1
 OR {  947}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  947}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  947}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  950}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.200     1.300     1.300 peak   950 spectrum    1 weight  0.10000E+01 volume  0.18062E-02 ppm1      1.562 ppm2      0.796 CV     1
 OR {  950}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  957}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.100     0.600     0.600 peak   957 spectrum    1 weight  0.10000E+01 volume  0.11295E-01 ppm1      1.358 ppm2      1.586 CV     1
 OR {  957}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  963}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.600     0.300     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.13739E-01 ppm1      1.828 ppm2      1.549 CV     1
 OR {  963}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB2 ))
 OR {  963}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  965}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.200     0.600     0.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.93111E-02 ppm1      1.828 ppm2      2.026 CV     1
 OR {  965}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  966}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.18701E-01 ppm1      1.746 ppm2      1.864 CV     1
 OR {  966}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR {  966}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  974}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      3.000     1.200     1.200 peak   974 spectrum    1 weight  0.10000E+01 volume  0.30922E-02 ppm1      1.126 ppm2      0.870 CV     1
 OR {  974}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR {  974}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  978}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      3.500     1.600     1.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.20505E-02 ppm1      1.126 ppm2      1.689 CV     1
 OR {  978}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  978}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  979}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.51785E-02 ppm1      1.127 ppm2      1.560 CV     1
 OR {  979}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  981}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.36417E-02 ppm1      1.203 ppm2      1.632 CV     1
 OR {  981}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1005}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      1.621 ppm2      8.466 CV     1
 OR { 1005}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1007}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      1.940 ppm2      8.465 CV     1
 OR { 1007}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1020}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.30814E-02 ppm1      2.345 ppm2      4.249 CV     1
 OR { 1020}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1022}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.29523E-02 ppm1      2.478 ppm2      4.108 CV     1
 OR { 1022}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1022}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1023}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.28204E-02 ppm1      2.364 ppm2      4.109 CV     1
 OR { 1023}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1023}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1036}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.600     0.800     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.34379E-02 ppm1      1.928 ppm2      3.345 CV     1
 OR { 1036}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
 OR { 1036}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 1040}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.11488E-01 ppm1      2.354 ppm2      2.466 CV     1
 OR { 1040}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1054}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.28259E-02 ppm1      1.745 ppm2      1.931 CV     1
 OR { 1054}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1061}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
      3.100     1.200     1.200 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      1.738 ppm2      1.063 CV     1
 OR { 1061}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1061}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1067}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      5.100     3.200     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.60513E-03 ppm1      2.363 ppm2      0.908 CV     1
 OR { 1067}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1068}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      4.000     2.000     2.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.53634E-03 ppm1      2.351 ppm2      1.651 CV     1
 OR { 1068}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1068}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1070}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.400     1.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.50486E-03 ppm1      2.342 ppm2      1.529 CV     1
 OR { 1070}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1071}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      4.600     2.600     1.400 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.46185E-03 ppm1      2.208 ppm2      1.526 CV     1
 OR { 1071}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1080}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.21513E-02 ppm1      1.860 ppm2      8.466 CV     1
 OR { 1080}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1086}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.98339E-03 ppm1      2.136 ppm2      7.549 CV     1
 OR { 1086}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 1089}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.68992E-03 ppm1      2.255 ppm2      7.555 CV     1
 OR { 1089}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 1094}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.55335E-03 ppm1      2.031 ppm2      8.239 CV     1
 OR { 1094}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1100}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.200     2.300     1.800 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.81852E-03 ppm1      2.032 ppm2      8.418 CV     1
 OR { 1100}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1100}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1100}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1101}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.22111E-02 ppm1      2.231 ppm2      8.489 CV     1
 OR { 1101}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1102}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.31484E-02 ppm1      2.067 ppm2      8.491 CV     1
 OR { 1102}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1102}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1103}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      2.184 ppm2      8.452 CV     1
 OR { 1103}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1108}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.500     1.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.33353E-03 ppm1      2.030 ppm2      4.393 CV     1
 OR { 1108}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1108}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1108}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1114}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.37750E-02 ppm1      2.124 ppm2      4.392 CV     1
 OR { 1114}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1119}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.47117E-02 ppm1      2.270 ppm2      4.221 CV     1
 OR { 1119}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1122}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.76252E-03 ppm1      2.198 ppm2      3.956 CV     1
 OR { 1122}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1129}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      1.608 ppm2      3.015 CV     1
 OR { 1129}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1136}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HG2 ))
      4.500     2.500     1.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.38527E-03 ppm1      1.869 ppm2      2.489 CV     1
 OR { 1136}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR { 1136}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 OR { 1136}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1140}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.17749E-02 ppm1      2.036 ppm2      1.142 CV     1
 OR { 1140}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1140}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1140}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1140}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1140}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1148}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
      1.500     0.300     0.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.35196E-01 ppm1      2.127 ppm2      2.269 CV     1
 OR { 1148}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1151}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.800     0.400     0.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.13657E-01 ppm1      2.274 ppm2      2.466 CV     1
 OR { 1151}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 1151}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI { 1154}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.400     0.700     0.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.55952E-02 ppm1      2.269 ppm2      2.629 CV     1
 OR { 1154}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 1157}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.900     0.400     0.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.13902E-01 ppm1      2.260 ppm2      2.488 CV     1
 OR { 1157}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
 OR { 1157}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
 OR { 1157}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI { 1164}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
      4.400     2.400     1.600 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.51368E-03 ppm1      2.267 ppm2      1.650 CV     1
 OR { 1164}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HG1 ))
 OR { 1164}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1171}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.000     1.100     1.100 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.22085E-02 ppm1      2.049 ppm2      7.331 CV     1
 OR { 1171}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1171}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 1171}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1177}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.45597E-02 ppm1      1.888 ppm2      4.097 CV     1
 OR { 1177}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1216}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      2.251 ppm2      7.212 CV     1
 OR { 1216}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1220}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.72079E-03 ppm1      2.015 ppm2      7.210 CV     1
 OR { 1220}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1221}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      5.700     4.000     0.300 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.29413E-03 ppm1      2.006 ppm2      6.897 CV     1
 OR { 1221}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1238}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.30388E-02 ppm1      2.014 ppm2      3.306 CV     1
 OR { 1238}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1241}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      2.251 ppm2      3.308 CV     1
 OR { 1241}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1248}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     0.900     0.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.32992E-02 ppm1      2.306 ppm2      4.255 CV     1
 OR { 1248}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1248}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1248}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1253}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.25992E-02 ppm1      2.851 ppm2      4.253 CV     1
 OR { 1253}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1254}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.22779E-02 ppm1      2.753 ppm2      4.256 CV     1
 OR { 1254}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1257}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 42   and name H28B))
      4.200     2.200     1.800 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.30987E-03 ppm1      2.854 ppm2      3.903 CV     1
 OR { 1257}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
 OR { 1257}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1258}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name H28B))
      4.000     2.000     2.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.32135E-03 ppm1      2.754 ppm2      3.898 CV     1
 OR { 1258}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
 OR { 1258}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1272}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.800     2.900     1.200 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.35832E-03 ppm1      2.852 ppm2      1.536 CV     1
 OR { 1272}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 44   and name HB% )
 OR { 1272}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1273}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.300     2.300     1.700 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.38900E-03 ppm1      2.755 ppm2      1.528 CV     1
 OR { 1273}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1281}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      2.251 ppm2      0.889 CV     1
 OR { 1281}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1281}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1289}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.45494E-03 ppm1      2.251 ppm2      0.783 CV     1
 OR { 1289}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 1289}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1290}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      5.100     3.200     0.900 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.21577E-03 ppm1      2.011 ppm2      0.784 CV     1
 OR { 1290}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1297}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      2.400 ppm2      7.474 CV     1
 OR { 1297}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1303}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
      4.600     2.700     1.400 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.46635E-03 ppm1      2.399 ppm2      0.982 CV     1
 OR { 1303}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1303}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1303}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1310}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.600     2.600     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.26220E-03 ppm1      2.336 ppm2      8.312 CV     1
 OR { 1310}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1313}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ))
      5.100     3.200     0.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.21550E-03 ppm1      2.761 ppm2      8.307 CV     1
 OR { 1313}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1316}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.76433E-03 ppm1      2.759 ppm2      4.282 CV     1
 OR { 1316}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1318}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.600     2.600     1.400 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.73526E-03 ppm1      2.332 ppm2      4.279 CV     1
 OR { 1318}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1321}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      5.400     3.600     0.600 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.43875E-03 ppm1      2.141 ppm2      4.110 CV     1
 OR { 1321}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1330}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      4.400     2.400     1.600 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.33603E-03 ppm1      2.335 ppm2      1.504 CV     1
 OR { 1330}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1331}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.86872E-03 ppm1      2.329 ppm2      0.908 CV     1
 OR { 1331}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1332}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.500     1.600     1.600 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1      2.758 ppm2      0.850 CV     1
 OR { 1332}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1345}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.400     1.400 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.26352E-02 ppm1      2.625 ppm2      4.213 CV     1
 OR { 1345}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1353}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.200     1.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.45364E-03 ppm1      2.390 ppm2      4.394 CV     1
 OR { 1353}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1360}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.46819E-02 ppm1      2.389 ppm2      2.259 CV     1
 OR { 1360}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1366}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.51015E-02 ppm1      2.624 ppm2      2.265 CV     1
 OR { 1366}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
 OR { 1366}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1375}
   (( segid "    " and resid 84   and name HG2 ))
   (  segid "    " and resid 83   and name HB% )
      3.900     1.900     1.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.62944E-03 ppm1      2.461 ppm2      1.626 CV     1
 OR { 1375}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1376}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 81   and name HB% )
      4.500     2.500     1.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.35433E-03 ppm1      2.530 ppm2      1.611 CV     1
 OR { 1376}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1378}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 43   and name HG  ))
      3.500     3.500     2.500 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.32433E-03 ppm1      2.597 ppm2      1.750 CV     1
 OR { 1378}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1390}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
      5.400     3.700     0.600 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.23599E-03 ppm1      3.092 ppm2      8.289 CV     1
 OR { 1390}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1391}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      5.200     3.400     0.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.18177E-03 ppm1      2.770 ppm2      8.278 CV     1
 OR { 1391}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1407}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.200     1.200 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.19337E-02 ppm1      3.094 ppm2      4.380 CV     1
 OR { 1407}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1409}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      3.605 ppm2      4.380 CV     1
 OR { 1409}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1418}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.31523E-03 ppm1      3.081 ppm2      0.966 CV     1
 OR { 1418}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1419}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.500     1.500     1.500 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.98853E-03 ppm1      3.092 ppm2      0.880 CV     1
 OR { 1419}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1419}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1420}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
      4.100     2.100     1.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.73160E-03 ppm1      2.770 ppm2      0.877 CV     1
 OR { 1420}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 1420}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1426}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.31495E-02 ppm1      1.932 ppm2      0.879 CV     1
 OR { 1426}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1427}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      2.800     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.28967E-02 ppm1      1.936 ppm2      0.808 CV     1
 OR { 1427}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1438}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.15260E-02 ppm1      2.460 ppm2      7.721 CV     1
 OR { 1438}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1448}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA1 ))
      4.800     2.900     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.40330E-03 ppm1      3.454 ppm2      4.090 CV     1
 OR { 1448}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 1448}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1448}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1452}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.000     2.000     2.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.39831E-03 ppm1      2.791 ppm2      4.099 CV     1
 OR { 1452}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1452}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1452}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1455}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.600     0.900     0.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.38889E-02 ppm1      3.454 ppm2      0.978 CV     1
 OR { 1455}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1455}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1456}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.900     1.100     1.100 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.30812E-02 ppm1      2.795 ppm2      0.975 CV     1
 OR { 1456}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1456}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1473}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.14295E-02 ppm1      3.294 ppm2      8.046 CV     1
 OR { 1473}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1475}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.46416E-02 ppm1      3.012 ppm2      8.055 CV     1
 OR { 1475}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1476}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.600     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.26252E-03 ppm1      3.001 ppm2      7.718 CV     1
 OR { 1476}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1479}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.78006E-03 ppm1      3.014 ppm2      7.200 CV     1
 OR { 1479}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1490}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.700     2.800     1.300 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.47777E-03 ppm1      3.297 ppm2      7.204 CV     1
 OR { 1490}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1493}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.16626E-02 ppm1      3.014 ppm2      4.746 CV     1
 OR { 1493}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1495}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.19148E-02 ppm1      3.013 ppm2      4.371 CV     1
 OR { 1495}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1502}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.400     2.400     1.600 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.96318E-03 ppm1      1.804 ppm2      4.013 CV     1
 OR { 1502}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1523}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.300     2.300     1.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.53218E-03 ppm1      3.017 ppm2      1.801 CV     1
 OR { 1523}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 OR { 1523}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1529}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.500     2.600     1.500 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.52503E-03 ppm1      3.295 ppm2      0.879 CV     1
 OR { 1529}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1531}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      4.000     2.000     2.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.26664E-02 ppm1      3.297 ppm2      1.064 CV     1
 OR { 1531}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1532}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      4.100     2.100     1.900 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.16223E-02 ppm1      3.014 ppm2      1.063 CV     1
 OR { 1532}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1534}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.900     1.900     1.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.11033E-02 ppm1      3.005 ppm2      1.527 CV     1
 OR { 1534}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 1535}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
      3.200     1.300     1.300 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.14327E-02 ppm1      2.780 ppm2      1.527 CV     1
 OR { 1535}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1551}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.79820E-03 ppm1      2.709 ppm2      8.841 CV     1
 OR { 1551}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 1551}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 1551}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 1551}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1551}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1552}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.20968E-02 ppm1      2.701 ppm2      8.060 CV     1
 OR { 1552}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1556}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.62114E-02 ppm1      2.835 ppm2      8.490 CV     1
 OR { 1556}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1556}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1556}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1559}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.49608E-02 ppm1      3.033 ppm2      8.061 CV     1
 OR { 1559}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1560}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.74537E-03 ppm1      3.089 ppm2      8.465 CV     1
 OR { 1560}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1561}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.400     2.400     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.81682E-03 ppm1      2.995 ppm2      8.465 CV     1
 OR { 1561}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1563}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.400     1.400 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.72106E-03 ppm1      3.095 ppm2      7.717 CV     1
 OR { 1563}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1564}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      2.996 ppm2      7.721 CV     1
 OR { 1564}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1578}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35453E-02 ppm1      3.035 ppm2      4.546 CV     1
 OR { 1578}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1581}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.50327E-02 ppm1      2.700 ppm2      4.553 CV     1
 OR { 1581}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 1581}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1594}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.15179E-02 ppm1      3.038 ppm2      1.573 CV     1
 OR { 1594}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1594}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1595}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      2.699 ppm2      1.573 CV     1
 OR { 1595}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1595}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR { 1595}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1596}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.600     1.600     1.600 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.12505E-02 ppm1      2.705 ppm2      1.393 CV     1
 OR { 1596}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 OR { 1596}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1596}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1596}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1596}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1596}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1597}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      2.709 ppm2      2.043 CV     1
 OR { 1597}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1597}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1597}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1597}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1597}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1597}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1597}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1597}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1597}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1597}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 1627}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.40806E-02 ppm1      1.590 ppm2      9.425 CV     1
 OR { 1627}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1632}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.48517E-02 ppm1      2.012 ppm2      8.277 CV     1
 OR { 1632}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1650}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.34183E-02 ppm1      1.601 ppm2      4.364 CV     1
 OR { 1650}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1656}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.24079E-02 ppm1      1.478 ppm2      4.362 CV     1
 OR { 1656}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1662}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.40972E-02 ppm1      1.924 ppm2      4.283 CV     1
 OR { 1662}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1689}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.700     0.300     0.500 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.11462E-01 ppm1      1.029 ppm2      1.629 CV     1
 OR { 1689}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1713}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.700     0.700 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.51114E-02 ppm1      1.777 ppm2      1.062 CV     1
 OR { 1713}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1714}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.400     0.700     0.700 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.75001E-02 ppm1      2.012 ppm2      0.979 CV     1
 OR { 1714}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1714}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1714}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1716}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      2.400     0.700     0.700 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.97645E-02 ppm1      1.562 ppm2      0.984 CV     1
 OR { 1716}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1716}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1717}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.000     1.100     1.100 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.56274E-02 ppm1      1.410 ppm2      1.061 CV     1
 OR { 1717}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1719}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.500     0.800     0.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.47420E-02 ppm1      1.549 ppm2      0.875 CV     1
 OR { 1719}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1724}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.41913E-02 ppm1      2.222 ppm2      0.857 CV     1
 OR { 1724}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1727}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.200     1.300     1.300 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.29586E-02 ppm1      2.330 ppm2      1.043 CV     1
 OR { 1727}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1732}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.500     0.800     0.800 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.41323E-02 ppm1      3.496 ppm2      1.645 CV     1
 OR { 1732}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1733}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.900     1.100     1.100 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.37844E-02 ppm1      3.020 ppm2      1.643 CV     1
 OR { 1733}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1738}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      4.100     2.100     1.900 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.68315E-03 ppm1      2.333 ppm2      0.887 CV     1
 OR { 1738}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1738}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1742}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      3.000     1.100     1.100 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.30923E-02 ppm1      1.986 ppm2      0.775 CV     1
 OR { 1742}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1753}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1      1.375 ppm2      0.852 CV     1
 OR { 1753}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1753}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1754}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.16798E-02 ppm1      1.376 ppm2      0.801 CV     1
 OR { 1754}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1763}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      4.600     2.700     1.400 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.64938E-03 ppm1      1.696 ppm2      0.796 CV     1
 OR { 1763}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1772}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HN  ))
      5.300     3.500     0.700 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.19229E-03 ppm1      3.093 ppm2      8.117 CV     1
 OR { 1772}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1773}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 56   and name HN  ))
      5.700     4.100     0.300 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.18618E-03 ppm1      3.002 ppm2      8.114 CV     1
 OR { 1773}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1778}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.100     1.100 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.19310E-02 ppm1      3.351 ppm2      8.002 CV     1
 OR { 1778}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1779}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.45576E-03 ppm1      3.348 ppm2      8.470 CV     1
 OR { 1779}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1780}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.800     1.300 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.48833E-03 ppm1      3.446 ppm2      8.452 CV     1
 OR { 1780}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1805}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.700     1.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.39008E-03 ppm1      3.443 ppm2      3.957 CV     1
 OR { 1805}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1806}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     3.400     2.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.35582E-03 ppm1      3.304 ppm2      3.961 CV     1
 OR { 1806}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1816}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.50755E-02 ppm1      3.305 ppm2      1.709 CV     1
 OR { 1816}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1820}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.27697E-02 ppm1      3.447 ppm2      2.182 CV     1
 OR { 1820}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1821}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.700     0.900     0.900 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.41355E-02 ppm1      3.445 ppm2      1.967 CV     1
 OR { 1821}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1823}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.62884E-02 ppm1      3.305 ppm2      2.016 CV     1
 OR { 1823}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1823}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1824}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.52340E-02 ppm1      3.360 ppm2      1.928 CV     1
 OR { 1824}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1845}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
      4.200     2.200     1.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.46265E-03 ppm1      3.276 ppm2      0.973 CV     1
 OR { 1845}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1845}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1853}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14632E-01 ppm1      4.075 ppm2      8.490 CV     1
 OR { 1853}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 1853}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1853}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1864}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.200     2.300     1.800 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.60262E-03 ppm1      4.074 ppm2      4.729 CV     1
 OR { 1864}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 1864}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 25   and name HA  ))
 OR { 1864}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1866}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 46   and name HG1 ))
      3.500     1.600     1.600 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.27274E-03 ppm1      3.897 ppm2      2.842 CV     1
 OR { 1866}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR { 1866}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1872}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 15   and name HG1%)
      3.800     1.800     1.800 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.83758E-03 ppm1      4.076 ppm2      1.049 CV     1
 OR { 1872}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1872}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1891}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.000     1.100     1.100 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.36230E-02 ppm1      4.027 ppm2      1.609 CV     1
 OR { 1891}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1891}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1891}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1892}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 4    and name HD2%)
      4.200     2.300     1.800 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.41286E-03 ppm1      4.027 ppm2      0.968 CV     1
 OR { 1892}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1892}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1901}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.80218E-03 ppm1      4.094 ppm2      4.681 CV     1
 OR { 1901}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 1901}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1905}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HB2 ))
      5.200     3.400     0.800 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.24135E-03 ppm1      4.096 ppm2      2.783 CV     1
 OR { 1905}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR { 1905}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 1906}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.10160E-02 ppm1      4.094 ppm2      0.960 CV     1
 OR { 1906}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1906}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1909}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.19815E-03 ppm1      3.576 ppm2      8.313 CV     1
 OR { 1909}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1913}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.900     3.000     1.100 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.34715E-03 ppm1      2.795 ppm2      8.449 CV     1
 OR { 1913}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1932}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HB  ))
      4.500     2.500     1.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.10683E-02 ppm1      4.012 ppm2      1.807 CV     1
 OR { 1932}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1933}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HB  ))
      4.000     2.000     2.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      3.567 ppm2      1.806 CV     1
 OR { 1933}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1941}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.56323E-03 ppm1      2.802 ppm2      0.885 CV     1
 OR { 1941}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1941}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1943}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
      2.200     0.600     0.600 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.64321E-02 ppm1      3.570 ppm2      1.020 CV     1
 OR { 1943}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1948}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
      3.300     1.400     1.400 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.41048E-02 ppm1      4.013 ppm2      1.019 CV     1
 OR { 1948}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1953}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.10710E-02 ppm1      4.025 ppm2      2.027 CV     1
 OR { 1953}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1960}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.12201E-01 ppm1      4.718 ppm2      8.473 CV     1
 OR { 1960}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1960}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1968}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.600     1.400 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.53264E-03 ppm1      4.369 ppm2      8.496 CV     1
 OR { 1968}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 OR { 1968}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1974}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.22047E-02 ppm1      5.044 ppm2      1.071 CV     1
 OR { 1974}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1975}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.700     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.48321E-02 ppm1      4.720 ppm2      2.859 CV     1
 OR { 1975}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1975}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2003}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.700     1.700     1.700 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      4.462 ppm2      2.133 CV     1
 OR { 2003}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2016}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.82273E-03 ppm1      4.460 ppm2      0.969 CV     1
 OR { 2016}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2016}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2017}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13758E-02 ppm1      4.363 ppm2      1.061 CV     1
 OR { 2017}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2022}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.700     0.900     0.900 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.15699E-02 ppm1      4.285 ppm2      0.877 CV     1
 OR { 2022}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2027}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
      2.400     0.700     0.700 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.49522E-02 ppm1      4.363 ppm2      0.981 CV     1
 OR { 2027}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2028}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1      3.987 ppm2      1.119 CV     1
 OR { 2028}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI { 2029}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.700     0.900     0.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.34005E-02 ppm1      3.987 ppm2      0.971 CV     1
 OR { 2029}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 2029}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2055}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.35837E-02 ppm1      4.726 ppm2      2.173 CV     1
 OR { 2055}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2057}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.700     0.700 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.41467E-02 ppm1      4.737 ppm2      8.454 CV     1
 OR { 2057}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2065}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.400     2.400     1.600 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      4.400 ppm2      2.242 CV     1
 OR { 2065}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2068}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.800     1.800     1.800 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.95231E-03 ppm1      4.396 ppm2      2.031 CV     1
 OR { 2068}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 2068}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2068}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2085}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      3.900     1.900     1.900 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.97596E-03 ppm1      4.368 ppm2      1.381 CV     1
 OR { 2085}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2088}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.49640E-02 ppm1      4.469 ppm2      8.245 CV     1
 OR { 2088}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 2095}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.400     1.400 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      4.219 ppm2      7.959 CV     1
 OR { 2095}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 2096}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.51156E-03 ppm1      4.474 ppm2      8.013 CV     1
 OR { 2096}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2103}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      4.200     2.200     1.800 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.75701E-03 ppm1      3.954 ppm2      4.291 CV     1
 OR { 2103}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 2104}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      4.500     2.500     1.500 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.61426E-03 ppm1      3.953 ppm2      4.236 CV     1
 OR { 2104}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
 OR { 2104}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 2104}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 2115}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.27799E-02 ppm1      3.955 ppm2      2.224 CV     1
 OR { 2115}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2116}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.500     1.500     1.500 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.10456E-02 ppm1      3.956 ppm2      2.037 CV     1
 OR { 2116}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2117}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
      2.500     0.800     0.800 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.57695E-02 ppm1      4.220 ppm2      1.567 CV     1
 OR { 2117}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2123}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.28333E-03 ppm1      4.465 ppm2      1.135 CV     1
 OR { 2123}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
 OR { 2123}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2124}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.94056E-03 ppm1      4.465 ppm2      1.024 CV     1
 OR { 2124}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 2124}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2128}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.15881E-02 ppm1      3.955 ppm2      1.040 CV     1
 OR { 2128}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2128}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2128}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2129}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.40593E-02 ppm1      3.954 ppm2      0.858 CV     1
 OR { 2129}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2132}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.25069E-02 ppm1      4.743 ppm2      8.060 CV     1
 OR { 2132}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2156}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.15542E-02 ppm1      4.307 ppm2      8.119 CV     1
 OR { 2156}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2164}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.53788E-03 ppm1      4.211 ppm2      8.409 CV     1
 OR { 2164}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2166}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.17488E-02 ppm1      3.897 ppm2      8.312 CV     1
 OR { 2166}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2168}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.66370E-03 ppm1      3.310 ppm2      8.059 CV     1
 OR { 2168}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2171}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      3.308 ppm2      7.213 CV     1
 OR { 2171}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2175}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.66435E-03 ppm1      4.398 ppm2      7.811 CV     1
 OR { 2175}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2179}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.10471E-01 ppm1      3.898 ppm2      1.548 CV     1
 OR { 2179}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2179}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2180}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.200     1.300     1.300 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.17846E-02 ppm1      3.897 ppm2      1.363 CV     1
 OR { 2180}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2184}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.26491E-02 ppm1      3.308 ppm2      1.631 CV     1
 OR { 2184}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2189}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.70063E-02 ppm1      4.276 ppm2      1.910 CV     1
 OR { 2189}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 2190}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.65179E-02 ppm1      4.274 ppm2      1.831 CV     1
 OR { 2190}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2205}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.400     1.600 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.59913E-03 ppm1      3.306 ppm2      0.891 CV     1
 OR { 2205}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2212}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.000     0.500     0.500 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.15475E-01 ppm1      4.311 ppm2      1.047 CV     1
 OR { 2212}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2212}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2213}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.20249E-02 ppm1      4.307 ppm2      0.855 CV     1
 OR { 2213}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2219}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.24893E-02 ppm1      4.397 ppm2      1.123 CV     1
 OR { 2219}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2221}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      4.200     2.200     1.800 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.82934E-03 ppm1      4.491 ppm2      0.882 CV     1
 OR { 2221}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2221}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2229}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.45371E-02 ppm1      3.896 ppm2      8.738 CV     1
 OR { 2229}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      4.207 ppm2      7.814 CV     1
 OR { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2234}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.17702E-02 ppm1      4.235 ppm2      8.209 CV     1
 OR { 2234}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2236}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.12794E-02 ppm1      4.243 ppm2      8.021 CV     1
 OR { 2236}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2237}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.45980E-02 ppm1      4.205 ppm2      8.218 CV     1
 OR { 2237}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2240}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.83682E-03 ppm1      4.268 ppm2      8.497 CV     1
 OR { 2240}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2242}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.18266E-02 ppm1      4.252 ppm2      8.736 CV     1
 OR { 2242}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2246}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.13952E-02 ppm1      4.352 ppm2      7.723 CV     1
 OR { 2246}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2254}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.300     0.600     0.600 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.92002E-02 ppm1      4.239 ppm2      2.476 CV     1
 OR { 2254}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 2254}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 2255}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.100     1.200     1.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.37587E-02 ppm1      4.247 ppm2      2.751 CV     1
 OR { 2255}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 2259}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.600     0.900     0.900 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.58181E-02 ppm1      4.235 ppm2      2.341 CV     1
 OR { 2259}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2260}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.93215E-02 ppm1      4.237 ppm2      2.204 CV     1
 OR { 2260}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2262}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.50199E-02 ppm1      4.210 ppm2      2.264 CV     1
 OR { 2262}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2268}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.100     1.100 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      3.895 ppm2      1.935 CV     1
 OR { 2268}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2271}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.67927E-02 ppm1      4.232 ppm2      1.657 CV     1
 OR { 2271}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 OR { 2271}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 2274}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.45692E-02 ppm1      4.253 ppm2      1.531 CV     1
 OR { 2274}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
 OR { 2274}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2274}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2274}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2286}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.39019E-02 ppm1      4.681 ppm2      7.450 CV     1
 OR { 2286}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 2292}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.69495E-02 ppm1      4.676 ppm2      0.964 CV     1
 OR { 2292}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2299}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.800     1.000     1.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.39923E-02 ppm1      4.770 ppm2      1.405 CV     1
 OR { 2299}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2300}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.47976E-02 ppm1      4.573 ppm2      7.818 CV     1
 OR { 2300}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2309}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.18039E-02 ppm1      4.107 ppm2      8.005 CV     1
 OR { 2309}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2311}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.18828E-02 ppm1      4.110 ppm2      7.461 CV     1
 OR { 2311}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 2313}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10748E-02 ppm1      4.302 ppm2      7.323 CV     1
 OR { 2313}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2318}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.71150E-03 ppm1      4.111 ppm2      8.135 CV     1
 OR { 2318}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2323}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      3.524 ppm2      7.331 CV     1
 OR { 2323}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 OR { 2323}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2344}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.200     1.300     1.300 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.12416E-02 ppm1      4.259 ppm2      1.384 CV     1
 OR { 2344}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2345}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.600     0.800     0.800 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.39734E-02 ppm1      3.610 ppm2      1.643 CV     1
 OR { 2345}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.53418E-02 ppm1      3.610 ppm2      1.528 CV     1
 OR { 2346}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2350}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.600     1.600 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.92663E-03 ppm1      3.520 ppm2      1.898 CV     1
 OR { 2350}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2356}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.22688E-02 ppm1      3.522 ppm2      1.412 CV     1
 OR { 2356}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2357}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.30798E-02 ppm1      3.522 ppm2      1.154 CV     1
 OR { 2357}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2364}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.85048E-02 ppm1      4.517 ppm2      8.488 CV     1
 OR { 2364}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2366}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      4.667 ppm2      7.712 CV     1
 OR { 2366}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2371}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.100     0.500     0.500 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.22436E-01 ppm1      4.380 ppm2      4.110 CV     1
 OR { 2371}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 2371}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2371}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2385}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.200     2.200     1.800 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.96241E-03 ppm1      4.334 ppm2      8.481 CV     1
 OR { 2385}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2386}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.18309E-02 ppm1      4.383 ppm2      8.447 CV     1
 OR { 2386}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2389}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.11566E-02 ppm1      4.384 ppm2      7.725 CV     1
 OR { 2389}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2393}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      4.600     2.700     1.400 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.70057E-03 ppm1      4.384 ppm2      6.951 CV     1
 OR { 2393}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2411}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.18527E-02 ppm1      4.377 ppm2      0.872 CV     1
 OR { 2411}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2413}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.34542E-02 ppm1      4.141 ppm2      7.816 CV     1
 OR { 2413}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2414}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.37821E-02 ppm1      4.057 ppm2      7.813 CV     1
 OR { 2414}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2425}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.41450E-02 ppm1      3.745 ppm2      8.288 CV     1
 OR { 2425}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 2434}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.51409E-03 ppm1      3.806 ppm2      4.659 CV     1
 OR { 2434}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2435}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.63174E-03 ppm1      3.753 ppm2      4.662 CV     1
 OR { 2435}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2439}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.12002E-02 ppm1      4.135 ppm2      4.390 CV     1
 OR { 2439}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2439}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 2441}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.15760E-02 ppm1      4.052 ppm2      4.403 CV     1
 OR { 2441}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 2448}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.400     2.500     1.600 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.22866E-03 ppm1      4.137 ppm2      2.364 CV     1
 OR { 2448}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2450}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.60634E-03 ppm1      4.145 ppm2      2.202 CV     1
 OR { 2450}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2451}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.68183E-03 ppm1      4.056 ppm2      2.200 CV     1
 OR { 2451}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2453}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.000     1.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.27012E-02 ppm1      3.745 ppm2      1.933 CV     1
 OR { 2453}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2457}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.000     2.000     2.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.84556E-03 ppm1      4.142 ppm2      1.531 CV     1
 OR { 2457}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2458}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.98590E-03 ppm1      4.059 ppm2      1.533 CV     1
 OR { 2458}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2459}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.600     0.600 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.74652E-02 ppm1      3.746 ppm2      0.876 CV     1
 OR { 2459}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2469}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.17509E-02 ppm1      3.937 ppm2      8.226 CV     1
 OR { 2469}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2470}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.14231E-02 ppm1      3.937 ppm2      7.819 CV     1
 OR { 2470}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2472}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.30198E-02 ppm1      3.804 ppm2      7.392 CV     1
 OR { 2472}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2474}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.500     1.600 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      4.234 ppm2      7.218 CV     1
 OR { 2474}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 2477}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      4.700     2.800     1.300 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.64174E-03 ppm1      4.232 ppm2      3.302 CV     1
 OR { 2477}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2479}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      4.500     2.600     1.500 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.34411E-03 ppm1      4.349 ppm2      2.867 CV     1
 OR { 2479}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2480}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.900     0.900 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.33184E-02 ppm1      4.232 ppm2      2.429 CV     1
 OR { 2480}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2486}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.500     1.500     1.500 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      3.805 ppm2      2.080 CV     1
 OR { 2486}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2493}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.400     1.400 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      4.231 ppm2      1.122 CV     1
 OR { 2493}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2495}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.800     1.800     1.800 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      4.229 ppm2      0.887 CV     1
 OR { 2495}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2495}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2496}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.51636E-03 ppm1      4.233 ppm2      0.772 CV     1
 OR { 2496}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2496}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2502}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.21160E-02 ppm1      3.867 ppm2      8.837 CV     1
 OR { 2502}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2512}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.17338E-02 ppm1      3.866 ppm2      0.876 CV     1
 OR { 2512}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2513}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      3.868 ppm2      0.793 CV     1
 OR { 2513}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2519}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.29935E-02 ppm1      4.318 ppm2      8.835 CV     1
 OR { 2519}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2524}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.600     1.600     1.600 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.74220E-03 ppm1      3.955 ppm2      4.420 CV     1
 OR { 2524}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2526}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      4.000     2.000     2.000 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.45684E-03 ppm1      4.409 ppm2      3.956 CV     1
 OR { 2526}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2529}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.12172E-02 ppm1      3.958 ppm2      2.203 CV     1
 OR { 2529}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2530}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.300     1.300     1.300 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.15625E-02 ppm1      3.957 ppm2      2.020 CV     1
 OR { 2530}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2531}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.77001E-03 ppm1      3.957 ppm2      1.665 CV     1
 OR { 2531}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2532}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.900     3.000     1.100 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.40218E-03 ppm1      3.964 ppm2      1.535 CV     1
 OR { 2532}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 OR { 2532}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2533}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
      4.400     2.400     1.600 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.82092E-03 ppm1      4.417 ppm2      1.535 CV     1
 OR { 2533}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2543}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.300     1.300 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      4.374 ppm2      8.493 CV     1
 OR { 2543}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2547}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
      3.900     1.900     1.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.91090E-03 ppm1      4.189 ppm2      0.982 CV     1
 OR { 2547}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 2547}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2557}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.16978E-02 ppm1      6.755 ppm2      0.882 CV     1
 OR { 2557}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2560}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 3    and name HG2%)
      3.000     1.100     1.100 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.17632E-02 ppm1      6.817 ppm2      1.374 CV     1
 OR { 2560}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2562}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      2.800     0.900     0.900 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1      6.815 ppm2      0.874 CV     1
 OR { 2562}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2564}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HG  ))
      3.200     3.200     2.800 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.46541E-03 ppm1      6.818 ppm2      2.039 CV     1
 OR { 2564}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2566}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      6.815 ppm2      1.581 CV     1
 OR { 2566}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HG  ))
 OR { 2566}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2567}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.35935E-02 ppm1      6.756 ppm2      1.536 CV     1
 OR { 2567}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2576}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.400     1.400     1.400 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.15238E-02 ppm1      6.816 ppm2      3.004 CV     1
 OR { 2576}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2581}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.16240E-02 ppm1      6.756 ppm2      4.387 CV     1
 OR { 2581}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2585}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.75569E-03 ppm1      6.757 ppm2      8.463 CV     1
 OR { 2585}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
 OR { 2585}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 OR { 2585}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2586}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      3.100     1.200     1.200 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.65447E-03 ppm1      6.815 ppm2      8.137 CV     1
 OR { 2586}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 2596}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.500     2.500     1.500 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.20971E-03 ppm1      6.883 ppm2      2.430 CV     1
 OR { 2596}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2598}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD1%)
      5.000     3.200     1.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.17711E-03 ppm1      7.349 ppm2      0.797 CV     1
 OR { 2598}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2599}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
      4.500     2.600     1.500 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.26226E-03 ppm1      7.344 ppm2      0.889 CV     1
 OR { 2599}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2602}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.67867E-03 ppm1      7.344 ppm2      2.045 CV     1
 OR { 2602}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2602}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2607}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      4.400     2.400     1.600 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.67364E-03 ppm1      6.931 ppm2      1.333 CV     1
 OR { 2607}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2609}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
      4.300     2.300     1.700 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.85894E-03 ppm1      6.931 ppm2      1.108 CV     1
 OR { 2609}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2610}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.91325E-03 ppm1      6.933 ppm2      0.983 CV     1
 OR { 2610}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2611}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.15043E-02 ppm1      6.930 ppm2      0.886 CV     1
 OR { 2611}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2621}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      4.600     2.600     1.400 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.31070E-03 ppm1      7.120 ppm2      1.334 CV     1
 OR { 2621}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 2625}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.600     1.600     1.600 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.87118E-03 ppm1      7.215 ppm2      0.783 CV     1
 OR { 2625}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 OR { 2625}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2628}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.800     2.900     1.200 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.36175E-03 ppm1      7.120 ppm2      1.537 CV     1
 OR { 2628}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2631}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      7.215 ppm2      2.031 CV     1
 OR { 2631}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2631}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2635}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 68   and name HB  ))
      4.800     2.800     1.200 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.27804E-03 ppm1      7.114 ppm2      2.428 CV     1
 OR { 2635}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2636}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 68   and name HB  ))
      3.400     1.400     1.400 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.69298E-03 ppm1      6.932 ppm2      2.417 CV     1
 OR { 2636}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2637}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG1 ))
      3.800     1.800     1.800 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.29695E-03 ppm1      6.928 ppm2      2.200 CV     1
 OR { 2637}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 2638}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
      5.100     3.200     0.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.28416E-03 ppm1      6.930 ppm2      2.795 CV     1
 OR { 2638}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2644}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.82158E-03 ppm1      7.214 ppm2      3.301 CV     1
 OR { 2644}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2647}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.41336E-03 ppm1      7.121 ppm2      4.238 CV     1
 OR { 2647}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
 OR { 2647}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 39   and name HA1 ))
 ASSI { 2648}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.100     2.100     1.900 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.75548E-03 ppm1      6.931 ppm2      4.383 CV     1
 OR { 2648}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2656}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      4.800     2.900     1.200 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.23810E-03 ppm1      6.931 ppm2      8.447 CV     1
 OR { 2656}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2659}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.87080E-03 ppm1      7.311 ppm2      1.216 CV     1
 OR { 2659}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG  ))
 OR { 2659}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2660}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
      4.300     2.300     1.700 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      7.308 ppm2      1.066 CV     1
 OR { 2660}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2660}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2660}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2661}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      7.308 ppm2      0.887 CV     1
 OR { 2661}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 OR { 2661}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2662}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.600     1.600 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.96362E-03 ppm1      7.307 ppm2      0.794 CV     1
 OR { 2662}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 OR { 2662}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.700     1.700 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.58738E-03 ppm1      6.969 ppm2      1.066 CV     1
 OR { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 2665}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2673}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.55340E-02 ppm1      6.973 ppm2      1.532 CV     1
 OR { 2673}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2674}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.46568E-02 ppm1      7.309 ppm2      3.298 CV     1
 OR { 2674}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2680}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HA2 ))
      3.400     1.500     1.500 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.10436E-02 ppm1      6.974 ppm2      3.897 CV     1
 OR { 2680}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2682}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.88342E-03 ppm1      6.974 ppm2      4.376 CV     1
 OR { 2682}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2689}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.39609E-03 ppm1      6.969 ppm2      7.715 CV     1
 OR { 2689}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2690}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.58274E-03 ppm1      6.974 ppm2      8.450 CV     1
 OR { 2690}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2697}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.200     2.200     1.800 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.52595E-03 ppm1      7.434 ppm2      4.095 CV     1
 OR { 2697}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR { 2697}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 OR { 2697}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2701}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      7.434 ppm2      1.590 CV     1
 OR { 2701}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2701}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2704}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.700     1.700     1.700 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.95334E-03 ppm1      7.433 ppm2      0.877 CV     1
 OR { 2704}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {    3}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
      3.900     1.900     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.88435E-03 ppm1      6.892 ppm2      1.644 CV     1
 OR {    3}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 31   and name HB1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HG1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 31   and name HB1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {   16}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.77629E-03 ppm1      7.323 ppm2      4.304 CV     1
 OR {   16}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {   48}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.700     2.800     1.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.34269E-03 ppm1      8.020 ppm2      0.983 CV     1
 OR {   48}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {   48}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   52}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.600     1.600     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.25256E-03 ppm1      8.020 ppm2      2.848 CV     1
 OR {   52}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 OR {   52}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {   53}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.100     2.100     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.10734E-03 ppm1      8.019 ppm2      2.760 CV     1
 OR {   53}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {   61}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.200     2.200     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.52495E-03 ppm1      8.020 ppm2      7.399 CV     1
 OR {   61}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI {   73}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.30730E-02 ppm1      8.249 ppm2      7.827 CV     1
 OR {   73}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   83}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.600     1.600     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.12308E-02 ppm1      7.718 ppm2      4.359 CV     1
 OR {   83}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   89}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
      3.000     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.76449E-03 ppm1      7.673 ppm2      0.966 CV     1
 OR {   89}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
 OR {   89}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {   90}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD1%)
      3.600     1.600     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.76602E-03 ppm1      7.330 ppm2      0.965 CV     1
 OR {   90}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
 OR {   90}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {   91}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.13425E-02 ppm1      7.330 ppm2      0.883 CV     1
 OR {   91}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {   94}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.91210E-03 ppm1      7.675 ppm2      1.589 CV     1
 OR {   94}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   98}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
      3.400     1.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      7.330 ppm2      1.586 CV     1
 OR {   98}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  126}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.400     2.400     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.51654E-03 ppm1      7.474 ppm2      4.230 CV     1
 OR {  126}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.49238E-03 ppm1      8.493 ppm2      1.252 CV     1
 OR {  132}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  140}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.11718E-02 ppm1      8.415 ppm2      4.480 CV     1
 OR {  140}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  141}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12674E-02 ppm1      8.414 ppm2      4.271 CV     1
 OR {  141}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.000     2.000     2.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.58645E-03 ppm1      8.414 ppm2      0.971 CV     1
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  147}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  149}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.800     1.800     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.19166E-03 ppm1      8.414 ppm2      0.793 CV     1
 OR {  149}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  150}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.300     2.300     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      8.414 ppm2      1.622 CV     1
 OR {  150}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  153}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.300     1.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.41202E-03 ppm1      7.982 ppm2      0.968 CV     1
 OR {  153}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  156}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.99743E-03 ppm1      7.982 ppm2      4.688 CV     1
 OR {  156}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  169}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.12235E-02 ppm1      8.060 ppm2      1.046 CV     1
 OR {  169}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  172}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.400     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.16300E-02 ppm1      8.061 ppm2      1.630 CV     1
 OR {  172}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  174}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.400     1.400 peak   174 spectrum    1 weight  0.10000E+01 volume  0.21852E-02 ppm1      8.061 ppm2      3.032 CV     1
 OR {  174}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  175}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      8.060 ppm2      3.307 CV     1
 OR {  175}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.300     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.91199E-02 ppm1      8.023 ppm2      4.109 CV     1
 OR {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  185}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  190}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.500     1.600     1.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.35608E-03 ppm1      8.026 ppm2      1.641 CV     1
 OR {  190}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  195}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   195 spectrum    1 weight  0.10000E+01 volume  0.13536E-02 ppm1      7.716 ppm2      3.092 CV     1
 OR {  195}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  196}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.200     2.200     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1      7.718 ppm2      2.993 CV     1
 OR {  196}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  199}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.15013E-02 ppm1      7.716 ppm2      4.368 CV     1
 OR {  199}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  206}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
      2.500     0.800     0.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.53767E-02 ppm1      7.470 ppm2      4.103 CV     1
 OR {  206}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  206}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  215}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      5.000     3.200     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.22972E-03 ppm1      8.915 ppm2      1.521 CV     1
 OR {  215}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  219}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.28802E-02 ppm1      8.917 ppm2      4.260 CV     1
 OR {  219}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  230}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      3.700     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.68326E-03 ppm1      8.244 ppm2      4.070 CV     1
 OR {  230}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 OR {  230}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  234}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.56788E-02 ppm1      8.244 ppm2      8.493 CV     1
 OR {  234}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  238}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.27109E-02 ppm1      8.148 ppm2      4.097 CV     1
 OR {  238}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  238}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  238}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  244}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.200     2.200     1.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.63584E-03 ppm1      8.143 ppm2      0.977 CV     1
 OR {  244}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  244}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      7.809 ppm2      4.391 CV     1
 OR {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.60923E-03 ppm1      7.810 ppm2      3.948 CV     1
 OR {  252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.18233E-02 ppm1      7.810 ppm2      2.259 CV     1
 OR {  255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  258}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.42658E-03 ppm1      7.809 ppm2      1.121 CV     1
 OR {  258}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  270}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.84720E-03 ppm1      8.836 ppm2      0.790 CV     1
 OR {  270}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  272}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.700     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.41159E-02 ppm1      8.835 ppm2      1.397 CV     1
 OR {  272}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  273}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.500     2.600     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.57088E-03 ppm1      8.837 ppm2      2.707 CV     1
 OR {  273}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  273}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  295}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.67883E-03 ppm1      7.981 ppm2      1.133 CV     1
 OR {  295}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  295}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  296}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.800     2.800     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.36220E-03 ppm1      7.979 ppm2      1.039 CV     1
 OR {  296}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  296}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.200     0.600     0.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.12682E-01 ppm1      7.981 ppm2      2.032 CV     1
 OR {  298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  300}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     1.200     1.200 peak   300 spectrum    1 weight  0.10000E+01 volume  0.15358E-02 ppm1      7.983 ppm2      1.684 CV     1
 OR {  300}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  305}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.300     1.400     1.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.39673E-03 ppm1      7.982 ppm2      2.708 CV     1
 OR {  305}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  305}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  311}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     3.200     2.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.84518E-03 ppm1      7.977 ppm2      8.246 CV     1
 OR {  311}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  311}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  329}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.300     2.300     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.44116E-03 ppm1      7.292 ppm2      0.964 CV     1
 OR {  329}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  329}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  329}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  338}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.800     1.000     1.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      8.603 ppm2      2.841 CV     1
 OR {  338}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  339}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.44576E-02 ppm1      8.603 ppm2      2.736 CV     1
 OR {  339}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  340}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.47652E-02 ppm1      8.603 ppm2      4.539 CV     1
 OR {  340}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.200     1.200 peak   356 spectrum    1 weight  0.10000E+01 volume  0.97875E-03 ppm1      8.467 ppm2      4.728 CV     1
 OR {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.700     2.800     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.57520E-03 ppm1      8.470 ppm2      2.994 CV     1
 OR {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  367}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      8.468 ppm2      1.062 CV     1
 OR {  367}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 OR {  367}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  369}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.700     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.18816E-02 ppm1      8.468 ppm2      2.175 CV     1
 OR {  369}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  371}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.37635E-02 ppm1      8.141 ppm2      8.488 CV     1
 OR {  371}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  379}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.47814E-03 ppm1      7.834 ppm2      1.074 CV     1
 OR {  379}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  379}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  392}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.11411E-02 ppm1      7.758 ppm2      4.462 CV     1
 OR {  392}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  416}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.300     2.300     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.41246E-03 ppm1      7.502 ppm2      0.969 CV     1
 OR {  416}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  416}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  423}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      9.553 ppm2      3.092 CV     1
 OR {  423}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  424}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.900     3.000     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.39224E-03 ppm1      9.553 ppm2      2.995 CV     1
 OR {  424}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  424}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  427}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.42329E-02 ppm1      9.553 ppm2      4.360 CV     1
 OR {  427}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  428}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.55892E-03 ppm1      9.552 ppm2      7.720 CV     1
 OR {  428}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  437}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.900     1.900     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.11466E-02 ppm1      8.997 ppm2      2.251 CV     1
 OR {  437}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  438}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.400     2.400     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.61164E-03 ppm1      8.995 ppm2      2.184 CV     1
 OR {  438}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  441}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.500     1.500     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.33749E-03 ppm1      8.999 ppm2      1.768 CV     1
 OR {  441}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 OR {  441}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  442}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.31514E-02 ppm1      8.996 ppm2      1.619 CV     1
 OR {  442}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  444}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.700     2.800     1.300 peak   444 spectrum    1 weight  0.10000E+01 volume  0.32689E-03 ppm1      8.995 ppm2      2.450 CV     1
 OR {  444}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  452}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.93663E-03 ppm1      8.996 ppm2      4.237 CV     1
 OR {  452}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.600     1.600     1.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23907E-03 ppm1      8.882 ppm2      1.053 CV     1
 OR {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  458}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  459}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.87348E-03 ppm1      8.883 ppm2      0.973 CV     1
 OR {  459}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  459}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  460}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   460 spectrum    1 weight  0.10000E+01 volume  0.25378E-02 ppm1      8.883 ppm2      0.879 CV     1
 OR {  460}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  464}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.500     2.500     1.500 peak   464 spectrum    1 weight  0.10000E+01 volume  0.49583E-03 ppm1      8.883 ppm2      1.610 CV     1
 OR {  464}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  464}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  486}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.16164E-02 ppm1      8.682 ppm2      4.257 CV     1
 OR {  486}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  495}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      4.500     2.500     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.38930E-03 ppm1      8.681 ppm2      0.970 CV     1
 OR {  495}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  495}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  495}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  495}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  500}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.37129E-02 ppm1      8.403 ppm2      4.398 CV     1
 OR {  500}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  501}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.300     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.44212E-03 ppm1      8.402 ppm2      4.221 CV     1
 OR {  501}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  508}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.600     1.600     1.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17860E-02 ppm1      8.402 ppm2      1.124 CV     1
 OR {  508}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  509}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      8.403 ppm2      1.043 CV     1
 OR {  509}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  509}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  512}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      8.321 ppm2      1.532 CV     1
 OR {  512}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 OR {  512}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  516}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.22572E-02 ppm1      8.322 ppm2      2.339 CV     1
 OR {  516}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  524}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.76367E-03 ppm1      7.554 ppm2      8.464 CV     1
 OR {  524}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  525}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.69959E-02 ppm1      7.551 ppm2      7.720 CV     1
 OR {  525}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  526}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak   526 spectrum    1 weight  0.10000E+01 volume  0.14640E-02 ppm1      7.552 ppm2      4.364 CV     1
 OR {  526}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  535}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.300     3.300     2.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.49163E-03 ppm1      7.553 ppm2      1.621 CV     1
 OR {  535}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  537}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.79525E-03 ppm1      7.553 ppm2      1.061 CV     1
 OR {  537}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  543}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.56635E-02 ppm1      7.519 ppm2      1.631 CV     1
 OR {  543}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  544}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.31027E-02 ppm1      7.519 ppm2      3.305 CV     1
 OR {  544}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  545}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.75165E-03 ppm1      7.519 ppm2      3.020 CV     1
 OR {  545}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR {  545}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  549}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.10055E-02 ppm1      7.518 ppm2      7.216 CV     1
 OR {  549}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  550}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.75291E-02 ppm1      7.519 ppm2      8.046 CV     1
 OR {  550}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  554}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.19986E-02 ppm1      7.393 ppm2      4.542 CV     1
 OR {  554}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  567}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.27170E-02 ppm1      8.949 ppm2      4.110 CV     1
 OR {  567}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  567}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  576}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.700     1.700     1.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.41072E-03 ppm1      8.947 ppm2      1.649 CV     1
 OR {  576}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 OR {  576}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  577}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.600     2.600     1.400 peak   577 spectrum    1 weight  0.10000E+01 volume  0.67484E-03 ppm1      8.947 ppm2      0.859 CV     1
 OR {  577}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  577}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  580}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.700     1.700     1.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      8.842 ppm2      1.908 CV     1
 OR {  580}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  583}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.700     1.700     1.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.12461E-02 ppm1      8.842 ppm2      1.394 CV     1
 OR {  583}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  584}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.500     1.500     1.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.14947E-02 ppm1      8.842 ppm2      1.141 CV     1
 OR {  584}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  585}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.400     2.400     1.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.67659E-03 ppm1      8.841 ppm2      1.043 CV     1
 OR {  585}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  585}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  586}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.600     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.43825E-03 ppm1      8.843 ppm2      0.888 CV     1
 OR {  586}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  586}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.600     2.700     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.46925E-03 ppm1      8.843 ppm2      0.790 CV     1
 OR {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  596}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      8.841 ppm2      7.335 CV     1
 OR {  596}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  607}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.44081E-02 ppm1      7.694 ppm2      2.027 CV     1
 OR {  607}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  607}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  608}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.400     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10553E-02 ppm1      7.692 ppm2      1.909 CV     1
 OR {  608}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  611}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.800     1.800     1.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      7.695 ppm2      1.042 CV     1
 OR {  611}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  611}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  616}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.30285E-02 ppm1      8.239 ppm2      1.537 CV     1
 OR {  616}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  617}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.53447E-02 ppm1      8.242 ppm2      4.259 CV     1
 OR {  617}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  617}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  618}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      8.244 ppm2      3.901 CV     1
 OR {  618}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  620}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.44481E-02 ppm1      8.246 ppm2      8.472 CV     1
 OR {  620}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 OR {  620}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  620}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  621}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.43322E-02 ppm1      8.215 ppm2      8.473 CV     1
 OR {  621}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  623}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.25890E-02 ppm1      8.219 ppm2      7.807 CV     1
 OR {  623}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  626}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.22518E-02 ppm1      8.212 ppm2      3.946 CV     1
 OR {  626}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  626}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  627}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.600     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      8.214 ppm2      4.397 CV     1
 OR {  627}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 OR {  627}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  630}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.500     0.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.82682E-02 ppm1      8.217 ppm2      2.267 CV     1
 OR {  630}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  634}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.900     1.900     1.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18759E-02 ppm1      8.217 ppm2      1.121 CV     1
 OR {  634}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  639}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.43578E-02 ppm1      8.126 ppm2      4.246 CV     1
 OR {  639}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  640}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak   640 spectrum    1 weight  0.10000E+01 volume  0.13944E-02 ppm1      8.126 ppm2      3.957 CV     1
 OR {  640}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  651}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.19209E-02 ppm1      8.278 ppm2      4.909 CV     1
 OR {  651}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  653}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     1.300     1.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.18498E-02 ppm1      8.277 ppm2      4.464 CV     1
 OR {  653}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  659}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.10170E-01 ppm1      8.288 ppm2      1.930 CV     1
 OR {  659}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  660}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      2.500     0.800     0.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.56689E-02 ppm1      8.278 ppm2      1.840 CV     1
 OR {  660}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  664}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.800     0.900     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.47490E-02 ppm1      8.276 ppm2      1.621 CV     1
 OR {  664}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  666}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.100     1.200     1.200 peak   666 spectrum    1 weight  0.10000E+01 volume  0.41813E-02 ppm1      8.278 ppm2      0.979 CV     1
 OR {  666}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  666}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  666}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  667}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.36016E-02 ppm1      8.285 ppm2      0.883 CV     1
 OR {  667}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  668}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.19104E-02 ppm1      8.287 ppm2      0.798 CV     1
 OR {  668}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  669}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.300     2.300     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.45580E-03 ppm1      8.282 ppm2      2.769 CV     1
 OR {  669}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
 OR {  669}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  670}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      8.287 ppm2      4.282 CV     1
 OR {  670}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  685}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.60355E-02 ppm1      8.490 ppm2      8.243 CV     1
 OR {  685}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  685}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  690}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.37877E-02 ppm1      8.501 ppm2      4.239 CV     1
 OR {  690}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  697}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.66026E-03 ppm1      8.428 ppm2      4.247 CV     1
 OR {  697}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  700}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak   700 spectrum    1 weight  0.10000E+01 volume  0.48828E-02 ppm1      8.500 ppm2      2.340 CV     1
 OR {  700}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  700}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  703}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.35098E-02 ppm1      8.480 ppm2      2.257 CV     1
 OR {  703}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  707}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.400     0.700     0.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.53378E-02 ppm1      8.421 ppm2      2.041 CV     1
 OR {  707}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  708}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.52633E-02 ppm1      8.422 ppm2      2.215 CV     1
 OR {  708}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  720}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.71909E-03 ppm1      8.465 ppm2      4.399 CV     1
 OR {  720}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  722}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   722 spectrum    1 weight  0.10000E+01 volume  0.84299E-02 ppm1      8.452 ppm2      1.532 CV     1
 OR {  722}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  723}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.58509E-02 ppm1      8.084 ppm2      4.100 CV     1
 OR {  723}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  723}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  729}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.73903E-03 ppm1      8.085 ppm2      0.966 CV     1
 OR {  729}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.400     2.400     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.78503E-03 ppm1      7.890 ppm2      1.570 CV     1
 OR {  730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 OR {  730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  731}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.800     1.900     1.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.63758E-03 ppm1      7.888 ppm2      1.401 CV     1
 OR {  731}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  731}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  732}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak   732 spectrum    1 weight  0.10000E+01 volume  0.60497E-02 ppm1      7.888 ppm2      2.706 CV     1
 OR {  732}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  732}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  740}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.77531E-03 ppm1      7.889 ppm2      8.842 CV     1
 OR {  740}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  746}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12406E-02 ppm1      7.720 ppm2      4.233 CV     1
 OR {  746}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  749}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.13213E-02 ppm1      7.720 ppm2      1.122 CV     1
 OR {  749}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  751}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.300     2.300     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.10979E-02 ppm1      7.722 ppm2      0.971 CV     1
 OR {  751}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  753}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      8.740 ppm2      0.795 CV     1
 OR {  753}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  754}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.92663E-03 ppm1      8.740 ppm2      1.137 CV     1
 OR {  754}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  755}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.800     1.800     1.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.83349E-03 ppm1      8.740 ppm2      1.050 CV     1
 OR {  755}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  755}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  756}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.800     1.800     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      8.741 ppm2      1.699 CV     1
 OR {  756}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  760}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.700     2.700     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.57367E-03 ppm1      8.740 ppm2      0.970 CV     1
 OR {  760}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  763}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.82043E-03 ppm1      8.743 ppm2      4.232 CV     1
 OR {  763}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  773}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.26541E-02 ppm1      8.452 ppm2      3.900 CV     1
 OR {  773}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  774}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.21025E-02 ppm1      8.451 ppm2      4.265 CV     1
 OR {  774}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  774}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.900     3.100     1.100 peak   776 spectrum    1 weight  0.10000E+01 volume  0.36068E-03 ppm1      8.451 ppm2      2.320 CV     1
 OR {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  776}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  780}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.15526E-02 ppm1      8.062 ppm2      1.044 CV     1
 OR {  780}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  781}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.79328E-03 ppm1      8.063 ppm2      0.880 CV     1
 OR {  781}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  781}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  782}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.88413E-03 ppm1      8.062 ppm2      0.791 CV     1
 OR {  782}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  782}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  786}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.600     2.700     1.400 peak   786 spectrum    1 weight  0.10000E+01 volume  0.54606E-03 ppm1      8.062 ppm2      2.050 CV     1
 OR {  786}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  786}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  787}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.40420E-02 ppm1      8.061 ppm2      3.027 CV     1
 OR {  787}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.900     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.20598E-02 ppm1      8.060 ppm2      3.871 CV     1
 OR {  791}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  797}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.47447E-02 ppm1      8.070 ppm2      7.720 CV     1
 OR {  797}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  800}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak   800 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      8.069 ppm2      4.365 CV     1
 OR {  800}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  811}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.300     2.300     1.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.37931E-03 ppm1      7.955 ppm2      4.452 CV     1
 OR {  811}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  817}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.100     1.200     1.200 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      7.958 ppm2      0.982 CV     1
 OR {  817}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  817}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  818}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.800     2.800     3.200 peak   818 spectrum    1 weight  0.10000E+01 volume  0.11556E-02 ppm1      7.958 ppm2      0.887 CV     1
 OR {  818}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  833}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.35581E-02 ppm1      8.259 ppm2      0.984 CV     1
 OR {  833}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  833}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  837}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.800     2.900     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.20929E-03 ppm1      8.044 ppm2      1.390 CV     1
 OR {  837}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  839}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.500     1.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.65709E-03 ppm1      8.043 ppm2      1.052 CV     1
 OR {  839}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  841}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.20319E-02 ppm1      8.043 ppm2      3.297 CV     1
 OR {  841}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  848}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10774E-02 ppm1      8.043 ppm2      7.209 CV     1
 OR {  848}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  853}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.600     2.700     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.58705E-03 ppm1      7.213 ppm2      8.464 CV     1
 OR {  853}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  854}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.68866E-03 ppm1      7.215 ppm2      4.742 CV     1
 OR {  854}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  859}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.63163E-03 ppm1      7.212 ppm2      3.302 CV     1
 OR {  859}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  860}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.200     2.200     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.72991E-03 ppm1      7.212 ppm2      3.025 CV     1
 OR {  860}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  866}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     1.400     1.400 peak   866 spectrum    1 weight  0.10000E+01 volume  0.28249E-02 ppm1      7.212 ppm2      1.063 CV     1
 OR {  866}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  873}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.500     1.600     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.16729E-02 ppm1      8.825 ppm2      2.839 CV     1
 OR {  873}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  875}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      5.100     3.200     0.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.37598E-03 ppm1      8.829 ppm2      1.022 CV     1
 OR {  875}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  877}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.400     2.400     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.55586E-03 ppm1      8.740 ppm2      0.864 CV     1
 OR {  877}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  877}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  879}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.600     2.700     1.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.46800E-03 ppm1      8.743 ppm2      1.029 CV     1
 OR {  879}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  879}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  880}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.200     2.200     1.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.45973E-03 ppm1      8.742 ppm2      0.971 CV     1
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.500     2.600     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.39102E-03 ppm1      8.744 ppm2      2.207 CV     1
 OR {  883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  884}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.44659E-02 ppm1      8.743 ppm2      3.954 CV     1
 OR {  884}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  885}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.19626E-02 ppm1      8.743 ppm2      4.249 CV     1
 OR {  885}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  885}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  918}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.13465E-02 ppm1      8.453 ppm2      1.076 CV     1
 OR {  918}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  919}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      8.453 ppm2      2.172 CV     1
 OR {  919}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  921}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.600     2.600     1.400 peak   921 spectrum    1 weight  0.10000E+01 volume  0.58459E-03 ppm1      8.452 ppm2      1.850 CV     1
 OR {  921}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  922}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      5.100     3.200     0.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.41660E-03 ppm1      8.450 ppm2      2.801 CV     1
 OR {  922}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  935}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.42406E-03 ppm1      8.156 ppm2      2.860 CV     1
 OR {  935}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  936}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      5.100     3.200     0.900 peak   936 spectrum    1 weight  0.10000E+01 volume  0.25934E-03 ppm1      8.157 ppm2      3.904 CV     1
 OR {  936}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
 OR {  936}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  937}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      5.100     3.200     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.26074E-03 ppm1      8.156 ppm2      2.335 CV     1
 OR {  937}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  937}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  945}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.800     2.900     1.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.56465E-03 ppm1      8.002 ppm2      0.869 CV     1
 OR {  945}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  945}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  946}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      5.200     3.400     0.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.26883E-03 ppm1      8.001 ppm2      0.792 CV     1
 OR {  946}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  951}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   951 spectrum    1 weight  0.10000E+01 volume  0.20451E-02 ppm1      8.003 ppm2      2.776 CV     1
 OR {  951}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  967}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.30692E-03 ppm1      7.825 ppm2      1.122 CV     1
 OR {  967}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  971}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.300     1.400     1.400 peak   971 spectrum    1 weight  0.10000E+01 volume  0.15699E-02 ppm1      7.827 ppm2      4.053 CV     1
 OR {  971}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR {  971}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  983}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.600     2.600     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.93100E-03 ppm1      9.426 ppm2      1.700 CV     1
 OR {  983}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  987}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.200     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.24085E-02 ppm1      9.426 ppm2      0.979 CV     1
 OR {  987}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  988}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.19554E-02 ppm1      9.427 ppm2      0.884 CV     1
 OR {  988}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  988}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1022}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.13973E-02 ppm1      7.837 ppm2      7.946 CV     1
 OR { 1022}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1023}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.62027E-03 ppm1      7.837 ppm2      4.218 CV     1
 OR { 1023}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1028}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.400     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.69363E-03 ppm1      7.774 ppm2      1.524 CV     1
 OR { 1028}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1031}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.41783E-03 ppm1      7.774 ppm2      2.858 CV     1
 OR { 1031}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1032}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.43361E-02 ppm1      7.775 ppm2      4.270 CV     1
 OR { 1032}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1034}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
      4.100     2.100     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.34201E-03 ppm1      7.776 ppm2      3.918 CV     1
 OR { 1034}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 1047}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.94892E-03 ppm1      7.593 ppm2      0.972 CV     1
 OR { 1047}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1047}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1047}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1048}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.59022E-03 ppm1      7.592 ppm2      0.879 CV     1
 OR { 1048}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {    3}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
      3.600     1.600     1.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.14663E-02 ppm1      2.837 ppm2      1.076 CV     1
 OR {    3}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
 OR {    3}
   (( segid "    " and resid 63   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    4}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.12537E-02 ppm1      2.752 ppm2      1.077 CV     1
 OR {    4}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    5}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.85408E-03 ppm1      2.843 ppm2      0.941 CV     1
 OR {    5}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   13}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.600     1.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.25569E-02 ppm1      4.266 ppm2      0.940 CV     1
 OR {   13}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   13}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   18}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      4.100     2.100     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.19638E-02 ppm1      4.266 ppm2      1.077 CV     1
 OR {   18}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   18}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   20}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.62005E-03 ppm1      4.519 ppm2      0.941 CV     1
 OR {   20}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/diketo/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -116  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0  98  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -94  44 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -87  56 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -100  30 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0  83  28 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -107  50 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -72  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -97  20 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -131  36 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -109  50 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -104  50 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -104  52 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -106  48 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -74  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 128  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 169  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -39  22 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -41  24 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0  -6  44 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -15  54 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 153  30 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   4  28 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0  14  36 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 133  30 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -38  22 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0   3  26 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 155  20 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 133  30 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 129  32 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 137  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -31  32 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -21  28 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 143  36 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 155  26 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -37  32 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -24  42 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -19.967   9.651  -2.009
    2    H2   MET   1           HT2      MET   1 -20.453  11.208  -1.487
    3    H3   MET   1           HT3      MET   1 -19.522  10.239  -0.494
    4    HA   MET   1           HA       MET   1 -18.667  11.135  -3.164
    5    HB2  MET   1           HB2      MET   1 -17.226  12.806  -2.102
    6    HB3  MET   1           HB1      MET   1 -18.910  13.104  -1.714
    7    HG2  MET   1           HG2      MET   1 -18.583  12.142   0.498
    8    HG3  MET   1           HG1      MET   1 -16.901  11.796   0.108
    9    HE1  MET   1           HE1      MET   1 -15.376  15.385  -0.243
   10    HE2  MET   1           HE2      MET   1 -16.035  14.372  -1.530
   11    HE3  MET   1           HE3      MET   1 -15.047  13.653  -0.259
   12    H    ALA   2           HN       ALA   2 -18.155   9.161  -0.358
   13    HA   ALA   2           HA       ALA   2 -16.770   7.582   0.168
   14    HB1  ALA   2           HB1      ALA   2 -16.954   6.817  -2.178
   15    HB2  ALA   2           HB2      ALA   2 -15.369   6.463  -1.488
   16    HB3  ALA   2           HB3      ALA   2 -15.563   7.819  -2.597
   17    H    THR   3           HN       THR   3 -14.287   7.022   0.255
   18    HA   THR   3           HA       THR   3 -12.757   9.457   0.649
   19    HB   THR   3           HB       THR   3 -13.642   8.868   2.854
   20    HG1  THR   3           HG1      THR   3 -11.272   9.327   2.480
   21   HG21  THR   3          HG21      THR   3 -14.192   6.505   2.512
   22   HG22  THR   3          HG22      THR   3 -13.189   6.697   3.952
   23   HG23  THR   3          HG23      THR   3 -12.474   6.100   2.457
   24    H    LEU   4           HN       LEU   4 -11.153   9.222  -0.797
   25    HA   LEU   4           HA       LEU   4 -10.143   6.515  -1.288
   26    HB2  LEU   4           HB2      LEU   4  -9.897   8.979  -3.015
   27    HB3  LEU   4           HB1      LEU   4  -9.229   7.404  -3.394
   28    HG   LEU   4           HG       LEU   4 -12.155   8.120  -3.213
   29   HD11  LEU   4          HD11      LEU   4 -11.073   8.959  -5.203
   30   HD12  LEU   4          HD12      LEU   4 -12.158   7.629  -5.604
   31   HD13  LEU   4          HD13      LEU   4 -10.414   7.360  -5.544
   32   HD21  LEU   4          HD21      LEU   4 -12.587   5.823  -3.977
   33   HD22  LEU   4          HD22      LEU   4 -11.777   5.832  -2.411
   34   HD23  LEU   4          HD23      LEU   4 -10.864   5.467  -3.873
   35    H    LEU   5           HN       LEU   5  -7.808   6.351  -1.768
   36    HA   LEU   5           HA       LEU   5  -6.359   7.739   0.323
   37    HB2  LEU   5           HB2      LEU   5  -5.543   5.531  -1.554
   38    HB3  LEU   5           HB1      LEU   5  -4.556   6.174  -0.256
   39    HG   LEU   5           HG       LEU   5  -7.139   4.659   0.039
   40   HD11  LEU   5          HD11      LEU   5  -5.294   3.298  -0.749
   41   HD12  LEU   5          HD12      LEU   5  -5.680   2.918   0.931
   42   HD13  LEU   5          HD13      LEU   5  -4.270   3.908   0.552
   43   HD21  LEU   5          HD21      LEU   5  -6.809   6.291   1.827
   44   HD22  LEU   5          HD22      LEU   5  -5.185   5.661   2.100
   45   HD23  LEU   5          HD23      LEU   5  -6.591   4.644   2.417
   46    H    THR   6           HN       THR   6  -5.008   9.354  -0.082
   47    HA   THR   6           HA       THR   6  -4.490  10.045  -2.845
   48    HB   THR   6           HB       THR   6  -3.460  12.105  -1.886
   49    HG1  THR   6           HG1      THR   6  -4.296  10.978   0.624
   50   HG21  THR   6          HG21      THR   6  -5.851  12.099  -2.443
   51   HG22  THR   6          HG22      THR   6  -5.536  13.108  -1.029
   52   HG23  THR   6          HG23      THR   6  -6.232  11.501  -0.826
   53    H    THR   7           HN       THR   7  -1.962  11.145  -2.762
   54    HA   THR   7           HA       THR   7  -0.383   8.817  -2.680
   55    HB   THR   7           HB       THR   7   1.488  10.644  -2.977
   56    HG1  THR   7           HG1      THR   7   0.573  12.570  -2.786
   57   HG21  THR   7          HG21      THR   7   0.803   9.040  -4.701
   58   HG22  THR   7          HG22      THR   7   1.028  10.638  -5.407
   59   HG23  THR   7          HG23      THR   7  -0.600  10.036  -5.080
   60    H    ASP   8           HN       ASP   8  -1.057  11.289  -0.441
   61    HA   ASP   8           HA       ASP   8   1.206  10.821   1.250
   62    HB2  ASP   8           HB2      ASP   8  -1.389  12.278   1.763
   63    HB3  ASP   8           HB1      ASP   8  -0.102  12.150   2.955
   64    H    ASP   9           HN       ASP   9  -2.152   9.834   1.244
   65    HA   ASP   9           HA       ASP   9  -2.273   8.532   3.719
   66    HB2  ASP   9           HB2      ASP   9  -3.755   7.825   1.181
   67    HB3  ASP   9           HB1      ASP   9  -4.107   7.136   2.754
   68    H    LEU  10           HN       LEU  10  -1.609   7.126   0.539
   69    HA   LEU  10           HA       LEU  10  -1.131   4.550   1.628
   70    HB2  LEU  10           HB2      LEU  10  -1.842   4.861  -0.683
   71    HB3  LEU  10           HB1      LEU  10  -0.334   5.651  -1.076
   72    HG   LEU  10           HG       LEU  10   0.840   3.510  -0.469
   73   HD11  LEU  10          HD11      LEU  10  -1.957   2.407  -0.437
   74   HD12  LEU  10          HD12      LEU  10  -0.862   2.531   0.940
   75   HD13  LEU  10          HD13      LEU  10  -0.471   1.457  -0.403
   76   HD21  LEU  10          HD21      LEU  10  -1.178   3.372  -2.699
   77   HD22  LEU  10          HD22      LEU  10   0.262   2.363  -2.548
   78   HD23  LEU  10          HD23      LEU  10   0.425   4.103  -2.785
   79    H    ARG  11           HN       ARG  11   0.945   7.279   0.831
   80    HA   ARG  11           HA       ARG  11   3.464   6.086   0.999
   81    HB2  ARG  11           HB2      ARG  11   3.039   8.420   0.283
   82    HB3  ARG  11           HB1      ARG  11   2.657   8.841   1.942
   83    HG2  ARG  11           HG2      ARG  11   4.974   8.232   2.580
   84    HG3  ARG  11           HG1      ARG  11   5.328   7.940   0.875
   85    HD2  ARG  11           HD2      ARG  11   4.468  10.545   2.130
   86    HD3  ARG  11           HD1      ARG  11   6.062  10.159   1.484
   87    HE   ARG  11           HE       ARG  11   4.941   9.949  -0.715
   88   HH11  ARG  11          HH11      ARG  11   3.799  12.095   1.796
   89   HH12  ARG  11          HH12      ARG  11   2.785  13.050   0.843
   90   HH21  ARG  11          HH21      ARG  11   3.630  11.316  -2.205
   91   HH22  ARG  11          HH22      ARG  11   2.730  12.605  -1.532
   92    H    ARG  12           HN       ARG  12   1.404   7.487   3.510
   93    HA   ARG  12           HA       ARG  12   3.170   7.175   5.650
   94    HB2  ARG  12           HB2      ARG  12   0.159   7.155   5.696
   95    HB3  ARG  12           HB1      ARG  12   1.174   7.273   7.120
   96    HG2  ARG  12           HG2      ARG  12   2.144   9.359   6.179
   97    HG3  ARG  12           HG1      ARG  12   0.957   9.254   4.876
   98    HD2  ARG  12           HD2      ARG  12   0.173  10.752   6.608
   99    HD3  ARG  12           HD1      ARG  12  -0.845   9.312   6.541
  100    HE   ARG  12           HE       ARG  12   0.273   8.490   8.487
  101   HH11  ARG  12          HH11      ARG  12   0.822  11.949   7.768
  102   HH12  ARG  12          HH12      ARG  12   1.181  12.350   9.388
  103   HH21  ARG  12          HH21      ARG  12   0.859   9.102  10.727
  104   HH22  ARG  12          HH22      ARG  12   1.183  10.744  11.058
  105    H    ALA  13           HN       ALA  13   0.771   4.980   4.329
  106    HA   ALA  13           HA       ALA  13   0.921   3.020   6.313
  107    HB1  ALA  13           HB1      ALA  13   0.391   2.621   3.374
  108    HB2  ALA  13           HB2      ALA  13  -0.816   3.054   4.585
  109    HB3  ALA  13           HB3      ALA  13  -0.008   1.486   4.662
  110    H    LEU  14           HN       LEU  14   2.713   3.192   3.213
  111    HA   LEU  14           HA       LEU  14   4.360   0.995   3.638
  112    HB2  LEU  14           HB2      LEU  14   4.747   3.499   2.020
  113    HB3  LEU  14           HB1      LEU  14   6.011   2.302   2.128
  114    HG   LEU  14           HG       LEU  14   4.374   0.638   1.186
  115   HD11  LEU  14          HD11      LEU  14   2.305   1.750   1.644
  116   HD12  LEU  14          HD12      LEU  14   2.487   1.450  -0.083
  117   HD13  LEU  14          HD13      LEU  14   2.747   3.072   0.563
  118   HD21  LEU  14          HD21      LEU  14   4.630   1.462  -1.131
  119   HD22  LEU  14          HD22      LEU  14   6.112   1.544  -0.180
  120   HD23  LEU  14          HD23      LEU  14   5.177   3.007  -0.482
  121    H    VAL  15           HN       VAL  15   4.978   4.400   4.394
  122    HA   VAL  15           HA       VAL  15   7.569   4.093   5.417
  123    HB   VAL  15           HB       VAL  15   5.482   6.213   6.055
  124   HG11  VAL  15          HG11      VAL  15   8.447   6.233   6.653
  125   HG12  VAL  15          HG12      VAL  15   7.158   6.116   7.850
  126   HG13  VAL  15          HG13      VAL  15   7.339   7.586   6.890
  127   HG21  VAL  15          HG21      VAL  15   7.864   6.223   4.199
  128   HG22  VAL  15          HG22      VAL  15   6.788   7.589   4.502
  129   HG23  VAL  15          HG23      VAL  15   6.170   6.136   3.715
  130    H    GLU  16           HN       GLU  16   4.487   4.295   7.199
  131    HA   GLU  16           HA       GLU  16   5.580   3.963   9.753
  132    HB2  GLU  16           HB2      GLU  16   2.825   3.331   8.725
  133    HB3  GLU  16           HB1      GLU  16   3.272   3.324  10.421
  134    HG2  GLU  16           HG2      GLU  16   3.389   5.710   8.589
  135    HG3  GLU  16           HG1      GLU  16   2.123   5.368   9.768
  136    H    SER  17           HN       SER  17   4.469   1.567   7.401
  137    HA   SER  17           HA       SER  17   4.605  -0.571   9.250
  138    HB2  SER  17           HB2      SER  17   3.190  -0.606   7.188
  139    HB3  SER  17           HB1      SER  17   4.663  -0.708   6.225
  140    HG   SER  17           HG       SER  17   4.007  -2.560   8.257
  141    H    ALA  18           HN       ALA  18   6.881   0.821   6.928
  142    HA   ALA  18           HA       ALA  18   8.842  -1.247   7.259
  143    HB1  ALA  18           HB1      ALA  18   9.166   1.548   6.156
  144    HB2  ALA  18           HB2      ALA  18   8.739   0.116   5.219
  145    HB3  ALA  18           HB3      ALA  18  10.322   0.228   5.989
  146    H    GLY  19           HN       GLY  19   8.199   1.846   8.723
  147    HA2  GLY  19           HA2      GLY  19   9.114   1.470  11.164
  148    HA3  GLY  19           HA1      GLY  19  10.621   1.743  10.287
  149    H    GLU  20           HN       GLU  20  11.075   3.695   9.450
  150    HA   GLU  20           HA       GLU  20   9.238   5.856   9.445
  151    HB2  GLU  20           HB2      GLU  20   9.660   5.767  11.866
  152    HB3  GLU  20           HB1      GLU  20  11.390   5.837  11.576
  153    HG2  GLU  20           HG2      GLU  20  11.144   8.077  10.645
  154    HG3  GLU  20           HG1      GLU  20   9.404   8.000  10.938
  155    H    THR  21           HN       THR  21   9.921   6.085   7.394
  156    HA   THR  21           HA       THR  21  11.200   6.545   5.600
  157    HB   THR  21           HB       THR  21  12.566   8.703   5.847
  158    HG1  THR  21           HG1      THR  21  12.984   8.493   8.141
  159   HG21  THR  21          HG21      THR  21   9.703   8.683   6.797
  160   HG22  THR  21          HG22      THR  21  10.243   8.686   5.116
  161   HG23  THR  21          HG23      THR  21  10.559  10.082   6.148
  162    H    ASP  22           HN       ASP  22  12.205   4.372   6.455
  163    HA   ASP  22           HA       ASP  22  15.003   4.401   7.132
  164    HB2  ASP  22           HB2      ASP  22  13.095   2.196   6.359
  165    HB3  ASP  22           HB1      ASP  22  14.770   1.929   6.822
  166    H    GLY  23           HN       GLY  23  14.449   5.732   4.643
  167    HA2  GLY  23           HA2      GLY  23  15.824   5.742   2.698
  168    HA3  GLY  23           HA1      GLY  23  15.937   3.981   2.805
  169    H    THR  24           HN       THR  24  12.990   4.372   3.569
  170    HA   THR  24           HA       THR  24  11.870   3.733   1.033
  171    HB   THR  24           HB       THR  24   9.776   3.646   2.470
  172    HG1  THR  24           HG1      THR  24  10.461   5.140   3.975
  173   HG21  THR  24          HG21      THR  24  11.174   1.651   2.086
  174   HG22  THR  24          HG22      THR  24  10.500   1.646   3.720
  175   HG23  THR  24          HG23      THR  24  12.185   2.098   3.462
  176    H    ASP  25           HN       ASP  25  12.205   5.712  -0.136
  177    HA   ASP  25           HA       ASP  25  10.790   8.027   0.920
  178    HB2  ASP  25           HB2      ASP  25  12.899   7.825  -1.225
  179    HB3  ASP  25           HB1      ASP  25  11.948   9.281  -0.958
  180    H    LEU  26           HN       LEU  26   8.777   7.987   0.423
  181    HA   LEU  26           HA       LEU  26   8.045   7.307  -2.341
  182    HB2  LEU  26           HB2      LEU  26   6.328   7.225   0.164
  183    HB3  LEU  26           HB1      LEU  26   5.791   6.828  -1.445
  184    HG   LEU  26           HG       LEU  26   5.999   4.788  -0.398
  185   HD11  LEU  26          HD11      LEU  26   7.837   3.587  -1.439
  186   HD12  LEU  26          HD12      LEU  26   8.564   5.127  -1.891
  187   HD13  LEU  26          HD13      LEU  26   6.991   4.668  -2.547
  188   HD21  LEU  26          HD21      LEU  26   8.671   5.613   0.738
  189   HD22  LEU  26          HD22      LEU  26   7.922   4.030   0.939
  190   HD23  LEU  26          HD23      LEU  26   7.158   5.461   1.629
  191    H    SER  27           HN       SER  27   9.031   9.771  -0.950
  192    HA   SER  27           HA       SER  27   7.161  11.732  -0.666
  193    HB2  SER  27           HB2      SER  27   9.841  12.025  -1.854
  194    HB3  SER  27           HB1      SER  27   9.004  13.171  -0.803
  195    HG   SER  27           HG       SER  27  10.668  11.838   0.235
  196    H    GLY  28           HN       GLY  28   5.926  12.744  -2.013
  197    HA2  GLY  28           HA2      GLY  28   5.132  13.719  -3.963
  198    HA3  GLY  28           HA1      GLY  28   6.549  13.105  -4.815
  199    H    ASP  29           HN       ASP  29   5.956  11.844  -6.366
  200    HA   ASP  29           HA       ASP  29   3.635  10.076  -6.056
  201    HB2  ASP  29           HB2      ASP  29   3.680  11.468  -8.100
  202    HB3  ASP  29           HB1      ASP  29   5.247  10.786  -8.525
  203    H    PHE  30           HN       PHE  30   3.905   7.908  -6.084
  204    HA   PHE  30           HA       PHE  30   6.582   6.863  -6.555
  205    HB2  PHE  30           HB2      PHE  30   6.446   5.503  -4.484
  206    HB3  PHE  30           HB1      PHE  30   6.496   7.228  -4.161
  207    HD1  PHE  30           HD2      PHE  30   4.278   8.381  -3.635
  208    HD2  PHE  30           HD1      PHE  30   4.772   4.158  -3.583
  209    HE1  PHE  30           HE2      PHE  30   2.249   8.156  -2.270
  210    HE2  PHE  30           HE1      PHE  30   2.746   3.933  -2.228
  211    HZ   PHE  30           HZ       PHE  30   1.580   5.929  -1.440
  212    H    LEU  31           HN       LEU  31   3.986   6.858  -7.931
  213    HA   LEU  31           HA       LEU  31   2.929   4.196  -7.601
  214    HB2  LEU  31           HB2      LEU  31   2.211   6.512  -9.331
  215    HB3  LEU  31           HB1      LEU  31   1.655   4.911  -9.776
  216    HG   LEU  31           HG       LEU  31   0.517   4.731  -7.585
  217   HD11  LEU  31          HD11      LEU  31   1.322   7.591  -7.228
  218   HD12  LEU  31          HD12      LEU  31   1.883   6.198  -6.295
  219   HD13  LEU  31          HD13      LEU  31   0.186   6.691  -6.209
  220   HD21  LEU  31          HD21      LEU  31  -1.305   6.284  -8.092
  221   HD22  LEU  31          HD22      LEU  31  -0.718   5.458  -9.539
  222   HD23  LEU  31          HD23      LEU  31  -0.254   7.130  -9.229
  223    H    ASP  32           HN       ASP  32   5.274   5.725  -9.587
  224    HA   ASP  32           HA       ASP  32   5.115   3.601 -11.582
  225    HB2  ASP  32           HB2      ASP  32   5.186   6.092 -12.153
  226    HB3  ASP  32           HB1      ASP  32   6.851   6.074 -11.607
  227    H    LEU  33           HN       LEU  33   6.235   3.630  -8.769
  228    HA   LEU  33           HA       LEU  33   8.977   2.716  -9.215
  229    HB2  LEU  33           HB2      LEU  33   7.334   3.028  -6.721
  230    HB3  LEU  33           HB1      LEU  33   9.010   2.496  -6.735
  231    HG   LEU  33           HG       LEU  33   7.952   5.221  -7.481
  232   HD11  LEU  33          HD11      LEU  33   9.739   4.296  -5.239
  233   HD12  LEU  33          HD12      LEU  33   8.059   4.814  -5.095
  234   HD13  LEU  33          HD13      LEU  33   9.302   5.970  -5.578
  235   HD21  LEU  33          HD21      LEU  33   9.803   4.620  -8.964
  236   HD22  LEU  33          HD22      LEU  33  10.797   4.199  -7.568
  237   HD23  LEU  33          HD23      LEU  33  10.296   5.870  -7.822
  238    H    ARG  34           HN       ARG  34   9.353   0.660  -7.600
  239    HA   ARG  34           HA       ARG  34   7.207  -1.293  -8.087
  240    HB2  ARG  34           HB2      ARG  34  10.154  -1.906  -8.449
  241    HB3  ARG  34           HB1      ARG  34   8.789  -2.927  -8.879
  242    HG2  ARG  34           HG2      ARG  34   8.183  -1.421 -10.670
  243    HG3  ARG  34           HG1      ARG  34   9.471  -0.316 -10.186
  244    HD2  ARG  34           HD2      ARG  34  11.070  -2.227 -10.598
  245    HD3  ARG  34           HD1      ARG  34   9.723  -3.065 -11.371
  246    HE   ARG  34           HE       ARG  34  10.082  -0.436 -12.382
  247   HH11  ARG  34          HH11      ARG  34  11.187  -3.804 -12.715
  248   HH12  ARG  34          HH12      ARG  34  11.931  -3.573 -14.221
  249   HH21  ARG  34          HH21      ARG  34  11.054  -0.132 -14.508
  250   HH22  ARG  34          HH22      ARG  34  11.825  -1.445 -15.289
  251    H    PHE  35           HN       PHE  35   7.259  -2.991  -6.456
  252    HA   PHE  35           HA       PHE  35   8.190  -1.970  -3.990
  253    HB2  PHE  35           HB2      PHE  35   6.795  -4.535  -4.645
  254    HB3  PHE  35           HB1      PHE  35   7.376  -4.178  -3.016
  255    HD1  PHE  35           HD1      PHE  35   6.724  -1.729  -2.200
  256    HD2  PHE  35           HD2      PHE  35   4.657  -4.004  -5.121
  257    HE1  PHE  35           HE1      PHE  35   4.684  -0.445  -1.760
  258    HE2  PHE  35           HE2      PHE  35   2.618  -2.719  -4.695
  259    HZ   PHE  35           HZ       PHE  35   2.700  -0.830  -3.007
  260    H    GLU  36           HN       GLU  36   9.357  -4.611  -5.967
  261    HA   GLU  36           HA       GLU  36  11.386  -5.385  -4.167
  262    HB2  GLU  36           HB2      GLU  36  10.730  -6.663  -6.224
  263    HB3  GLU  36           HB1      GLU  36  11.525  -5.430  -7.196
  264    HG2  GLU  36           HG2      GLU  36  12.957  -7.351  -6.971
  265    HG3  GLU  36           HG1      GLU  36  13.659  -5.983  -6.106
  266    H    ASP  37           HN       ASP  37  11.166  -2.881  -6.553
  267    HA   ASP  37           HA       ASP  37  13.820  -1.935  -6.539
  268    HB2  ASP  37           HB2      ASP  37  12.296  -1.361  -8.329
  269    HB3  ASP  37           HB1      ASP  37  11.219  -0.553  -7.203
  270    H    ILE  38           HN       ILE  38  11.166  -1.385  -4.339
  271    HA   ILE  38           HA       ILE  38  12.876   0.521  -2.940
  272    HB   ILE  38           HB       ILE  38  10.865   1.271  -1.657
  273   HG12  ILE  38          HG12      ILE  38   9.362  -0.391  -3.699
  274   HG13  ILE  38          HG11      ILE  38   9.476  -0.745  -1.981
  275   HG21  ILE  38          HG21      ILE  38   9.931   2.611  -3.492
  276   HG22  ILE  38          HG22      ILE  38  10.752   1.555  -4.651
  277   HG23  ILE  38          HG23      ILE  38  11.696   2.542  -3.535
  278   HD11  ILE  38          HD11      ILE  38   8.156   1.670  -3.207
  279   HD12  ILE  38          HD12      ILE  38   8.257   1.310  -1.483
  280   HD13  ILE  38          HD13      ILE  38   7.332   0.254  -2.554
  281    H    GLY  39           HN       GLY  39  12.571  -2.547  -2.873
  282    HA2  GLY  39           HA2      GLY  39  13.383  -4.082  -1.359
  283    HA3  GLY  39           HA1      GLY  39  13.654  -2.758  -0.241
  284    H    TYR  40           HN       TYR  40  10.656  -3.930  -1.689
  285    HA   TYR  40           HA       TYR  40   9.676  -4.436   1.028
  286    HB2  TYR  40           HB2      TYR  40   8.360  -3.292  -1.380
  287    HB3  TYR  40           HB1      TYR  40   7.390  -4.216  -0.251
  288    HD1  TYR  40           HD1      TYR  40   9.961  -1.516  -0.182
  289    HD2  TYR  40           HD2      TYR  40   6.290  -2.980   1.370
  290    HE1  TYR  40           HE1      TYR  40   9.766   0.493   1.180
  291    HE2  TYR  40           HE2      TYR  40   6.063  -0.973   2.753
  292    HH   TYR  40           HH       TYR  40   7.998   1.799   2.348
  293    H    ASP  41           HN       ASP  41   8.746  -6.306   1.507
  294    HA   ASP  41           HA       ASP  41   8.506  -8.358  -0.594
  295    HB2  ASP  41           HB2      ASP  41   8.330  -8.628   2.433
  296    HB3  ASP  41           HB1      ASP  41   8.198  -9.946   1.285
  297    H    SER  42           HN       SER  42   6.469  -9.728  -0.244
  298    HA   SER  42           HA       SER  42   4.176  -8.084  -0.303
  299    HB2  SER  42           HB2      SER  42   2.972 -10.252  -0.239
  300    HB3  SER  42           HB1      SER  42   4.218 -10.203  -1.490
  301    H    LEU  43           HN       LEU  43   5.840  -9.828   2.164
  302    HA   LEU  43           HA       LEU  43   3.952 -10.115   4.167
  303    HB2  LEU  43           HB2      LEU  43   6.359 -10.929   4.085
  304    HB3  LEU  43           HB1      LEU  43   6.816  -9.332   4.641
  305    HG   LEU  43           HG       LEU  43   5.399  -9.703   6.659
  306   HD11  LEU  43          HD11      LEU  43   5.248 -12.504   5.558
  307   HD12  LEU  43          HD12      LEU  43   3.911 -11.381   5.754
  308   HD13  LEU  43          HD13      LEU  43   4.743 -12.015   7.177
  309   HD21  LEU  43          HD21      LEU  43   7.006 -11.194   7.758
  310   HD22  LEU  43          HD22      LEU  43   7.826 -10.026   6.722
  311   HD23  LEU  43          HD23      LEU  43   7.624 -11.691   6.182
  312    H    ALA  44           HN       ALA  44   6.017  -7.334   3.416
  313    HA   ALA  44           HA       ALA  44   4.975  -5.700   5.548
  314    HB1  ALA  44           HB1      ALA  44   6.561  -4.916   3.098
  315    HB2  ALA  44           HB2      ALA  44   7.249  -5.378   4.657
  316    HB3  ALA  44           HB3      ALA  44   6.276  -3.911   4.521
  317    H    LEU  45           HN       LEU  45   4.143  -6.349   2.253
  318    HA   LEU  45           HA       LEU  45   2.551  -4.055   1.847
  319    HB2  LEU  45           HB2      LEU  45   2.384  -6.753   0.504
  320    HB3  LEU  45           HB1      LEU  45   1.546  -5.312  -0.041
  321    HG   LEU  45           HG       LEU  45   4.528  -5.723   0.036
  322   HD11  LEU  45          HD11      LEU  45   4.371  -5.595  -2.385
  323   HD12  LEU  45          HD12      LEU  45   2.624  -5.435  -2.275
  324   HD13  LEU  45          HD13      LEU  45   3.400  -6.935  -1.771
  325   HD21  LEU  45          HD21      LEU  45   3.940  -3.423   0.566
  326   HD22  LEU  45          HD22      LEU  45   2.899  -3.358  -0.854
  327   HD23  LEU  45          HD23      LEU  45   4.643  -3.530  -1.049
  328    H    MET  46           HN       MET  46   1.938  -7.259   3.108
  329    HA   MET  46           HA       MET  46  -0.859  -7.265   3.426
  330    HB2  MET  46           HB2      MET  46   1.125  -8.263   5.479
  331    HB3  MET  46           HB1      MET  46  -0.531  -8.794   5.274
  332    HG2  MET  46           HG2      MET  46   1.714  -9.229   3.346
  333    HG3  MET  46           HG1      MET  46   1.118 -10.391   4.523
  334    HE1  MET  46           HE1      MET  46   0.880 -12.138   2.579
  335    HE2  MET  46           HE2      MET  46   1.462 -10.942   1.421
  336    HE3  MET  46           HE3      MET  46  -0.016 -11.843   1.089
  337    H    GLU  47           HN       GLU  47   1.689  -6.325   5.603
  338    HA   GLU  47           HA       GLU  47   0.223  -5.219   7.673
  339    HB2  GLU  47           HB2      GLU  47   2.972  -5.044   6.660
  340    HB3  GLU  47           HB1      GLU  47   2.551  -3.951   7.974
  341    HG2  GLU  47           HG2      GLU  47   2.471  -6.962   7.915
  342    HG3  GLU  47           HG1      GLU  47   3.579  -5.938   8.833
  343    H    THR  48           HN       THR  48   1.589  -3.699   4.827
  344    HA   THR  48           HA       THR  48   0.931  -1.032   5.305
  345    HB   THR  48           HB       THR  48   1.042  -2.576   2.697
  346    HG1  THR  48           HG1      THR  48   2.994  -2.480   4.060
  347   HG21  THR  48          HG21      THR  48  -0.140  -0.445   2.395
  348   HG22  THR  48          HG22      THR  48   1.443  -0.400   1.619
  349   HG23  THR  48          HG23      THR  48   1.197   0.410   3.165
  350    H    ALA  49           HN       ALA  49  -0.934  -3.516   3.473
  351    HA   ALA  49           HA       ALA  49  -3.150  -1.914   2.951
  352    HB1  ALA  49           HB1      ALA  49  -2.616  -3.953   1.697
  353    HB2  ALA  49           HB2      ALA  49  -4.257  -3.994   2.337
  354    HB3  ALA  49           HB3      ALA  49  -2.981  -4.924   3.123
  355    H    ALA  50           HN       ALA  50  -2.569  -4.345   5.464
  356    HA   ALA  50           HA       ALA  50  -5.017  -4.450   6.694
  357    HB1  ALA  50           HB1      ALA  50  -2.345  -4.591   8.071
  358    HB2  ALA  50           HB2      ALA  50  -3.128  -5.915   7.208
  359    HB3  ALA  50           HB3      ALA  50  -3.870  -5.250   8.663
  360    H    ARG  51           HN       ARG  51  -2.473  -2.098   7.289
  361    HA   ARG  51           HA       ARG  51  -3.686  -0.881   9.536
  362    HB2  ARG  51           HB2      ARG  51  -1.294  -0.669   9.011
  363    HB3  ARG  51           HB1      ARG  51  -1.690   0.263   7.576
  364    HG2  ARG  51           HG2      ARG  51  -2.521   2.068   8.918
  365    HG3  ARG  51           HG1      ARG  51  -2.333   1.116  10.391
  366    HD2  ARG  51           HD2      ARG  51   0.076   1.043  10.056
  367    HD3  ARG  51           HD1      ARG  51  -0.093   1.938   8.546
  368    HE   ARG  51           HE       ARG  51  -1.075   3.736  10.010
  369   HH11  ARG  51          HH11      ARG  51   1.418   1.454  11.276
  370   HH12  ARG  51          HH12      ARG  51   2.070   2.643  12.313
  371   HH21  ARG  51          HH21      ARG  51  -0.082   5.291  11.526
  372   HH22  ARG  51          HH22      ARG  51   1.252   4.769  12.444
  373    H    LEU  52           HN       LEU  52  -3.939  -0.314   6.095
  374    HA   LEU  52           HA       LEU  52  -5.563   2.043   6.450
  375    HB2  LEU  52           HB2      LEU  52  -4.892   0.456   3.972
  376    HB3  LEU  52           HB1      LEU  52  -5.765   1.977   3.979
  377    HG   LEU  52           HG       LEU  52  -2.907   1.602   4.884
  378   HD11  LEU  52          HD11      LEU  52  -4.027   2.886   2.407
  379   HD12  LEU  52          HD12      LEU  52  -3.153   1.359   2.482
  380   HD13  LEU  52          HD13      LEU  52  -2.332   2.869   2.886
  381   HD21  LEU  52          HD21      LEU  52  -2.842   4.045   4.977
  382   HD22  LEU  52          HD22      LEU  52  -4.032   3.395   6.103
  383   HD23  LEU  52          HD23      LEU  52  -4.561   4.111   4.581
  384    H    GLU  53           HN       GLU  53  -5.996  -1.328   5.535
  385    HA   GLU  53           HA       GLU  53  -8.671  -1.408   4.893
  386    HB2  GLU  53           HB2      GLU  53  -6.964  -3.416   6.347
  387    HB3  GLU  53           HB1      GLU  53  -8.621  -3.772   5.858
  388    HG2  GLU  53           HG2      GLU  53  -7.903  -3.425   3.501
  389    HG3  GLU  53           HG1      GLU  53  -6.270  -3.143   4.095
  390    H    SER  54           HN       SER  54  -7.170  -1.684   8.071
  391    HA   SER  54           HA       SER  54  -9.500  -2.076   9.557
  392    HB2  SER  54           HB2      SER  54  -6.896  -0.831  10.448
  393    HB3  SER  54           HB1      SER  54  -8.133  -1.514  11.508
  394    HG   SER  54           HG       SER  54  -6.412  -2.835   9.686
  395    H    ARG  55           HN       ARG  55  -7.925   0.959   8.579
  396    HA   ARG  55           HA       ARG  55  -9.610   2.554  10.254
  397    HB2  ARG  55           HB2      ARG  55  -7.443   3.468   9.629
  398    HB3  ARG  55           HB1      ARG  55  -7.862   3.389   7.922
  399    HG2  ARG  55           HG2      ARG  55  -9.618   5.062   8.257
  400    HG3  ARG  55           HG1      ARG  55  -9.236   5.131   9.972
  401    HD2  ARG  55           HD2      ARG  55  -7.307   5.831   7.755
  402    HD3  ARG  55           HD1      ARG  55  -8.293   7.006   8.615
  403    HE   ARG  55           HE       ARG  55  -6.835   5.501  10.480
  404   HH11  ARG  55          HH11      ARG  55  -6.285   8.035   8.019
  405   HH12  ARG  55          HH12      ARG  55  -4.869   8.617   8.750
  406   HH21  ARG  55          HH21      ARG  55  -4.941   6.425  11.540
  407   HH22  ARG  55          HH22      ARG  55  -4.101   7.696  10.782
  408    H    TYR  56           HN       TYR  56  -9.606   1.813   6.796
  409    HA   TYR  56           HA       TYR  56 -11.929   3.493   6.445
  410    HB2  TYR  56           HB2      TYR  56 -10.344   1.895   4.440
  411    HB3  TYR  56           HB1      TYR  56 -11.669   2.982   4.037
  412    HD1  TYR  56           HD2      TYR  56 -11.449   5.423   4.576
  413    HD2  TYR  56           HD1      TYR  56  -8.165   2.744   4.844
  414    HE1  TYR  56           HE2      TYR  56  -9.900   7.326   4.585
  415    HE2  TYR  56           HE1      TYR  56  -6.610   4.634   4.865
  416    HH   TYR  56           HH       TYR  56  -6.588   7.017   4.110
  417    H    GLY  57           HN       GLY  57 -11.443   0.276   7.208
  418    HA2  GLY  57           HA2      GLY  57 -13.063  -1.266   7.743
  419    HA3  GLY  57           HA1      GLY  57 -14.276  -0.183   7.072
  420    H    VAL  58           HN       VAL  58 -11.414  -1.414   5.452
  421    HA   VAL  58           HA       VAL  58 -13.245  -2.806   3.658
  422    HB   VAL  58           HB       VAL  58 -11.686  -2.542   1.774
  423   HG11  VAL  58          HG11      VAL  58 -13.438  -0.877   2.092
  424   HG12  VAL  58          HG12      VAL  58 -11.977  -0.159   1.393
  425   HG13  VAL  58          HG13      VAL  58 -12.328   0.057   3.108
  426   HG21  VAL  58          HG21      VAL  58  -9.764  -1.054   1.898
  427   HG22  VAL  58          HG22      VAL  58  -9.584  -2.380   3.051
  428   HG23  VAL  58          HG23      VAL  58 -10.085  -0.771   3.605
  429    H    SER  59           HN       SER  59 -11.895  -4.524   2.294
  430    HA   SER  59           HA       SER  59 -10.097  -5.971   3.990
  431    HB2  SER  59           HB2      SER  59 -11.702  -7.997   3.751
  432    HB3  SER  59           HB1      SER  59 -12.039  -6.787   4.990
  433    HG   SER  59           HG       SER  59 -13.692  -6.056   3.896
  434    H    ILE  60           HN       ILE  60  -8.583  -6.563   2.666
  435    HA   ILE  60           HA       ILE  60  -9.294  -7.468  -0.046
  436    HB   ILE  60           HB       ILE  60  -6.797  -5.977   0.835
  437   HG12  ILE  60          HG12      ILE  60  -9.046  -5.139  -1.014
  438   HG13  ILE  60          HG11      ILE  60  -8.804  -4.557   0.628
  439   HG21  ILE  60          HG21      ILE  60  -7.545  -7.019  -1.902
  440   HG22  ILE  60          HG22      ILE  60  -6.253  -7.633  -0.871
  441   HG23  ILE  60          HG23      ILE  60  -6.149  -6.003  -1.538
  442   HD11  ILE  60          HD11      ILE  60  -8.052  -2.939  -1.014
  443   HD12  ILE  60          HD12      ILE  60  -6.941  -4.127  -1.692
  444   HD13  ILE  60          HD13      ILE  60  -6.701  -3.531  -0.050
  445    HA   PRO  61           HA       PRO  61  -7.672 -11.443   1.254
  446    HB2  PRO  61           HB2      PRO  61  -7.000 -11.514  -1.651
  447    HB3  PRO  61           HB1      PRO  61  -7.795 -12.743  -0.665
  448    HG2  PRO  61           HG2      PRO  61  -9.228 -11.251  -2.306
  449    HG3  PRO  61           HG1      PRO  61  -9.835 -11.614  -0.682
  450    HD2  PRO  61           HD2      PRO  61  -8.652  -9.093  -1.744
  451    HD3  PRO  61           HD1      PRO  61  -9.961  -9.316  -0.568
  452    H    ASP  62           HN       ASP  62  -5.720 -12.116   1.867
  453    HA   ASP  62           HA       ASP  62  -3.452 -10.456   1.850
  454    HB2  ASP  62           HB2      ASP  62  -3.482 -13.462   2.274
  455    HB3  ASP  62           HB1      ASP  62  -2.226 -12.353   2.800
  456    H    ASP  63           HN       ASP  63  -4.329 -13.212  -0.096
  457    HA   ASP  63           HA       ASP  63  -1.937 -13.459  -1.567
  458    HB2  ASP  63           HB2      ASP  63  -3.248 -14.795  -3.178
  459    HB3  ASP  63           HB1      ASP  63  -3.540 -15.282  -1.514
  460    H    VAL  64           HN       VAL  64  -4.614 -11.308  -1.921
  461    HA   VAL  64           HA       VAL  64  -3.810 -10.510  -4.585
  462    HB   VAL  64           HB       VAL  64  -6.025  -9.414  -2.802
  463   HG11  VAL  64          HG11      VAL  64  -5.273  -7.730  -4.405
  464   HG12  VAL  64          HG12      VAL  64  -6.879  -8.326  -4.817
  465   HG13  VAL  64          HG13      VAL  64  -5.470  -8.886  -5.723
  466   HG21  VAL  64          HG21      VAL  64  -6.415 -11.709  -3.499
  467   HG22  VAL  64          HG22      VAL  64  -6.141 -11.257  -5.180
  468   HG23  VAL  64          HG23      VAL  64  -7.531 -10.609  -4.307
  469    H    ALA  65           HN       ALA  65  -3.641  -9.352  -1.280
  470    HA   ALA  65           HA       ALA  65  -2.618  -6.762  -1.768
  471    HB1  ALA  65           HB1      ALA  65  -2.095  -8.591   0.568
  472    HB2  ALA  65           HB2      ALA  65  -3.462  -7.473   0.441
  473    HB3  ALA  65           HB3      ALA  65  -1.805  -6.854   0.534
  474    H    GLY  66           HN       GLY  66  -1.022  -9.838  -1.066
  475    HA2  GLY  66           HA2      GLY  66   1.573  -8.698  -1.664
  476    HA3  GLY  66           HA1      GLY  66   1.251 -10.349  -1.131
  477    H    ARG  67           HN       ARG  67   0.045  -8.465  -3.826
  478    HA   ARG  67           HA       ARG  67   1.342 -10.327  -5.698
  479    HB2  ARG  67           HB2      ARG  67  -1.019 -10.962  -5.323
  480    HB3  ARG  67           HB1      ARG  67  -1.515  -9.368  -5.854
  481    HG2  ARG  67           HG2      ARG  67  -0.437  -9.882  -8.058
  482    HG3  ARG  67           HG1      ARG  67  -0.211 -11.534  -7.475
  483    HD2  ARG  67           HD2      ARG  67  -2.238 -11.378  -8.810
  484    HD3  ARG  67           HD1      ARG  67  -2.635 -11.722  -7.125
  485    HE   ARG  67           HE       ARG  67  -2.685  -8.966  -7.400
  486   HH11  ARG  67          HH11      ARG  67  -4.585 -11.698  -8.651
  487   HH12  ARG  67          HH12      ARG  67  -5.969 -10.736  -8.923
  488   HH21  ARG  67          HH21      ARG  67  -4.512  -7.735  -7.764
  489   HH22  ARG  67          HH22      ARG  67  -5.942  -8.401  -8.423
  490    H    VAL  68           HN       VAL  68   0.660  -7.142  -4.753
  491    HA   VAL  68           HA       VAL  68   0.687  -5.966  -7.374
  492    HB   VAL  68           HB       VAL  68   0.769  -3.773  -6.121
  493   HG11  VAL  68          HG11      VAL  68  -1.397  -5.694  -5.293
  494   HG12  VAL  68          HG12      VAL  68  -1.353  -4.745  -6.779
  495   HG13  VAL  68          HG13      VAL  68  -1.500  -3.937  -5.220
  496   HG21  VAL  68          HG21      VAL  68   0.550  -5.547  -3.686
  497   HG22  VAL  68          HG22      VAL  68   0.376  -3.792  -3.699
  498   HG23  VAL  68          HG23      VAL  68   1.929  -4.528  -4.105
  499    H    ASP  69           HN       ASP  69   2.386  -5.334  -8.491
  500    HA   ASP  69           HA       ASP  69   5.063  -5.624  -7.312
  501    HB2  ASP  69           HB2      ASP  69   4.702  -6.672  -9.499
  502    HB3  ASP  69           HB1      ASP  69   4.214  -5.125 -10.175
  503    H    THR  70           HN       THR  70   2.892  -3.231  -8.547
  504    HA   THR  70           HA       THR  70   4.902  -1.188  -7.987
  505    HB   THR  70           HB       THR  70   3.519   0.249  -9.507
  506    HG1  THR  70           HG1      THR  70   2.373  -2.036 -10.645
  507   HG21  THR  70          HG21      THR  70   4.332  -0.822 -11.586
  508   HG22  THR  70          HG22      THR  70   4.641  -2.300 -10.664
  509   HG23  THR  70          HG23      THR  70   5.548  -0.833 -10.307
  510    HA   PRO  71           HA       PRO  71   2.397   0.232  -4.580
  511    HB2  PRO  71           HB2      PRO  71   3.373   2.918  -5.434
  512    HB3  PRO  71           HB1      PRO  71   3.448   2.149  -3.842
  513    HG2  PRO  71           HG2      PRO  71   5.633   2.314  -5.319
  514    HG3  PRO  71           HG1      PRO  71   5.275   0.821  -4.425
  515    HD2  PRO  71           HD2      PRO  71   4.907   1.423  -7.335
  516    HD3  PRO  71           HD1      PRO  71   5.536  -0.046  -6.560
  517    H    ARG  72           HN       ARG  72   2.307   1.704  -7.721
  518    HA   ARG  72           HA       ARG  72  -0.052   3.170  -7.585
  519    HB2  ARG  72           HB2      ARG  72   1.187   3.363  -9.573
  520    HB3  ARG  72           HB1      ARG  72   1.181   1.628  -9.845
  521    HG2  ARG  72           HG2      ARG  72  -1.134   1.660 -10.448
  522    HG3  ARG  72           HG1      ARG  72  -1.287   3.346  -9.962
  523    HD2  ARG  72           HD2      ARG  72  -1.046   2.756 -12.470
  524    HD3  ARG  72           HD1      ARG  72  -0.137   4.113 -11.812
  525    HE   ARG  72           HE       ARG  72   1.757   3.070 -12.316
  526   HH11  ARG  72          HH11      ARG  72  -0.667   0.422 -12.116
  527   HH12  ARG  72          HH12      ARG  72   0.332  -0.691 -12.903
  528   HH21  ARG  72          HH21      ARG  72   3.103   1.444 -13.351
  529   HH22  ARG  72          HH22      ARG  72   2.530  -0.131 -13.557
  530    H    GLU  73           HN       GLU  73   0.340  -0.291  -8.304
  531    HA   GLU  73           HA       GLU  73  -2.454  -0.601  -8.611
  532    HB2  GLU  73           HB2      GLU  73  -0.292  -2.674  -8.344
  533    HB3  GLU  73           HB1      GLU  73  -1.970  -3.014  -8.749
  534    HG2  GLU  73           HG2      GLU  73  -0.037  -1.369 -10.362
  535    HG3  GLU  73           HG1      GLU  73  -0.619  -2.985 -10.742
  536    H    LEU  74           HN       LEU  74  -0.318  -0.745  -5.929
  537    HA   LEU  74           HA       LEU  74  -2.049  -2.199  -4.174
  538    HB2  LEU  74           HB2      LEU  74   0.480  -1.498  -3.866
  539    HB3  LEU  74           HB1      LEU  74  -0.178  -0.005  -3.248
  540    HG   LEU  74           HG       LEU  74  -0.501  -2.765  -2.028
  541   HD11  LEU  74          HD11      LEU  74   1.007  -0.356  -1.089
  542   HD12  LEU  74          HD12      LEU  74   1.685  -1.862  -1.707
  543   HD13  LEU  74          HD13      LEU  74   0.793  -1.854  -0.186
  544   HD21  LEU  74          HD21      LEU  74  -2.524  -1.443  -1.613
  545   HD22  LEU  74          HD22      LEU  74  -1.538  -0.123  -0.991
  546   HD23  LEU  74          HD23      LEU  74  -1.593  -1.665  -0.132
  547    H    LEU  75           HN       LEU  75  -1.506   1.216  -4.882
  548    HA   LEU  75           HA       LEU  75  -3.453   2.386  -3.222
  549    HB2  LEU  75           HB2      LEU  75  -1.630   3.600  -4.394
  550    HB3  LEU  75           HB1      LEU  75  -2.427   3.296  -5.919
  551    HG   LEU  75           HG       LEU  75  -4.346   4.670  -5.145
  552   HD11  LEU  75          HD11      LEU  75  -4.048   6.095  -3.188
  553   HD12  LEU  75          HD12      LEU  75  -2.536   5.262  -2.814
  554   HD13  LEU  75          HD13      LEU  75  -4.066   4.385  -2.762
  555   HD21  LEU  75          HD21      LEU  75  -1.655   6.031  -5.094
  556   HD22  LEU  75          HD22      LEU  75  -3.208   6.820  -5.379
  557   HD23  LEU  75          HD23      LEU  75  -2.595   5.639  -6.534
  558    H    ASP  76           HN       ASP  76  -3.486   1.434  -6.580
  559    HA   ASP  76           HA       ASP  76  -6.065   2.072  -7.372
  560    HB2  ASP  76           HB2      ASP  76  -4.190   1.372  -8.845
  561    HB3  ASP  76           HB1      ASP  76  -4.359  -0.269  -8.246
  562    H    LEU  77           HN       LEU  77  -4.801  -0.943  -6.029
  563    HA   LEU  77           HA       LEU  77  -7.118  -2.471  -6.046
  564    HB2  LEU  77           HB2      LEU  77  -4.854  -3.331  -5.728
  565    HB3  LEU  77           HB1      LEU  77  -4.769  -2.548  -4.169
  566    HG   LEU  77           HG       LEU  77  -6.548  -4.043  -3.348
  567   HD11  LEU  77          HD11      LEU  77  -7.680  -4.476  -5.470
  568   HD12  LEU  77          HD12      LEU  77  -7.200  -5.981  -4.685
  569   HD13  LEU  77          HD13      LEU  77  -6.268  -5.361  -6.048
  570   HD21  LEU  77          HD21      LEU  77  -4.170  -5.421  -4.586
  571   HD22  LEU  77          HD22      LEU  77  -5.159  -6.053  -3.266
  572   HD23  LEU  77          HD23      LEU  77  -4.199  -4.597  -3.027
  573    H    ILE  78           HN       ILE  78  -5.730  -0.568  -3.328
  574    HA   ILE  78           HA       ILE  78  -7.918  -1.164  -1.642
  575    HB   ILE  78           HB       ILE  78  -5.923   1.110  -1.343
  576   HG12  ILE  78          HG12      ILE  78  -6.078  -1.665  -0.137
  577   HG13  ILE  78          HG11      ILE  78  -4.840  -1.049  -1.223
  578   HG21  ILE  78          HG21      ILE  78  -7.950   0.044   0.643
  579   HG22  ILE  78          HG22      ILE  78  -7.959   1.640  -0.123
  580   HG23  ILE  78          HG23      ILE  78  -6.683   1.216   1.009
  581   HD11  ILE  78          HD11      ILE  78  -5.341  -0.162   1.609
  582   HD12  ILE  78          HD12      ILE  78  -4.107   0.505   0.538
  583   HD13  ILE  78          HD13      ILE  78  -4.017  -1.184   1.050
  584    H    ASN  79           HN       ASN  79  -7.236   1.670  -3.668
  585    HA   ASN  79           HA       ASN  79  -9.571   3.063  -2.912
  586    HB2  ASN  79           HB2      ASN  79  -7.900   3.259  -5.417
  587    HB3  ASN  79           HB1      ASN  79  -9.342   4.241  -5.178
  588   HD21  ASN  79          HD21      ASN  79  -6.684   5.144  -5.500
  589   HD22  ASN  79          HD22      ASN  79  -6.245   6.015  -4.072
  590    H    GLY  80           HN       GLY  80  -9.075   0.461  -5.099
  591    HA2  GLY  80           HA2      GLY  80 -11.562   0.609  -6.455
  592    HA3  GLY  80           HA1      GLY  80 -10.580  -0.845  -6.256
  593    H    ALA  81           HN       ALA  81 -10.480  -1.116  -3.566
  594    HA   ALA  81           HA       ALA  81 -12.988  -2.273  -2.924
  595    HB1  ALA  81           HB1      ALA  81 -10.646  -1.685  -1.106
  596    HB2  ALA  81           HB2      ALA  81 -10.857  -3.151  -2.060
  597    HB3  ALA  81           HB3      ALA  81 -11.982  -2.778  -0.754
  598    H    LEU  82           HN       LEU  82 -11.444   0.754  -2.085
  599    HA   LEU  82           HA       LEU  82 -13.291   1.649  -0.161
  600    HB2  LEU  82           HB2      LEU  82 -11.558   3.216  -2.073
  601    HB3  LEU  82           HB1      LEU  82 -12.455   3.934  -0.749
  602    HG   LEU  82           HG       LEU  82 -10.264   1.883  -0.426
  603   HD11  LEU  82          HD11      LEU  82  -9.391   3.999  -1.251
  604   HD12  LEU  82          HD12      LEU  82  -8.932   3.735   0.432
  605   HD13  LEU  82          HD13      LEU  82 -10.236   4.857   0.038
  606   HD21  LEU  82          HD21      LEU  82 -11.917   1.814   1.347
  607   HD22  LEU  82          HD22      LEU  82 -11.754   3.556   1.580
  608   HD23  LEU  82          HD23      LEU  82 -10.396   2.487   1.931
  609    H    ALA  83           HN       ALA  83 -13.276   1.799  -3.649
  610    HA   ALA  83           HA       ALA  83 -15.614   3.418  -3.844
  611    HB1  ALA  83           HB1      ALA  83 -15.553   2.878  -6.234
  612    HB2  ALA  83           HB2      ALA  83 -14.322   1.651  -5.929
  613    HB3  ALA  83           HB3      ALA  83 -13.959   3.353  -5.650
  614    H    GLU  84           HN       GLU  84 -14.969   0.062  -3.400
  615    HA   GLU  84           HA       GLU  84 -17.568  -0.901  -4.173
  616    HB2  GLU  84           HB2      GLU  84 -15.346  -2.193  -2.579
  617    HB3  GLU  84           HB1      GLU  84 -16.841  -3.011  -3.003
  618    HG2  GLU  84           HG2      GLU  84 -14.815  -1.926  -4.947
  619    HG3  GLU  84           HG1      GLU  84 -15.004  -3.618  -4.492
  620    H    ALA  85           HN       ALA  85 -16.312   0.720  -1.550
  621    HA   ALA  85           HA       ALA  85 -18.493  -0.050   0.234
  622    HB1  ALA  85           HB1      ALA  85 -16.251   0.069   1.238
  623    HB2  ALA  85           HB2      ALA  85 -17.279   1.344   1.893
  624    HB3  ALA  85           HB3      ALA  85 -16.072   1.726   0.661
  625    H    ALA  86           HN       ALA  86 -19.163   2.298   1.443
  626    HA   ALA  86           HA       ALA  86 -19.411   4.353  -0.536
  627    HB1  ALA  86           HB1      ALA  86 -21.855   4.396  -0.510
  628    HB2  ALA  86           HB2      ALA  86 -21.876   2.959   0.513
  629    HB3  ALA  86           HB3      ALA  86 -21.261   2.857  -1.138
  630    H28  SXD  87          H28B      SXD  87   2.619 -12.810   0.791
  631   H28A  SXD  87          H28A      SXD  87   3.754 -14.127   1.064
  632    H30  SXD  87          H30A      SXD  87   0.571 -15.834   1.254
  633   H30A  SXD  87          H30C      SXD  87   2.212 -15.663   1.879
  634   H30B  SXD  87          H30B      SXD  87   1.082 -14.295   1.986
  635    H31  SXD  87          H31A      SXD  87   1.221 -13.642  -1.675
  636   H31A  SXD  87          H31C      SXD  87   0.026 -14.715  -0.944
  637   H31B  SXD  87          H31B      SXD  87   0.418 -13.177  -0.176
  638    H32  SXD  87          H32A      SXD  87   2.905 -15.650  -1.653
  639   HO33  SXD  87          H33A      SXD  87   1.676 -17.648  -0.657
  640   HN36  SXD  87          H36A      SXD  87   4.598 -15.299   0.550
  641    H37  SXD  87          H37B      SXD  87   5.627 -17.977   0.946
  642   H37A  SXD  87          H37A      SXD  87   5.100 -17.167   2.415
  643    H38  SXD  87          H38A      SXD  87   6.683 -15.341   2.001
  644   H38A  SXD  87          H38B      SXD  87   7.485 -16.893   2.133
  645   HN41  SXD  87          H41A      SXD  87   5.820 -16.321  -0.754
  646    H42  SXD  87          H42B      SXD  87   7.598 -16.848  -2.652
  647   H42A  SXD  87          H42A      SXD  87   8.010 -15.176  -2.301
  648    H43  SXD  87          H43B      SXD  87   5.264 -16.165  -3.037
  649   H43A  SXD  87          H43A      SXD  87   5.749 -14.483  -2.905
  650    H1   SXD  87           H1A      SXD  87   5.106 -14.962  -6.788
  651    H1A  SXD  87           H1B      SXD  87   4.774 -13.941  -5.380
  652    H2   SXD  87           H2A      SXD  87   2.908 -15.388  -5.921
  653    H2A  SXD  87           H2B      SXD  87   3.589 -15.892  -4.374
  654    H4   SXD  87           H4B      SXD  87   3.025 -16.965  -7.921
  655    H4A  SXD  87           H4A      SXD  87   3.531 -18.611  -7.504
  656    H6   SXD  87           H6C      SXD  87  -0.190 -17.149  -7.385
  657    H6A  SXD  87           H6A      SXD  87   1.058 -16.062  -6.765
  658    H6B  SXD  87           H6B      SXD  87   0.145 -17.086  -5.649
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -21.878   7.950  -2.534
    2    H2   MET   1           HT2      MET   1 -21.480   7.032  -1.176
    3    H3   MET   1           HT3      MET   1 -20.658   6.753  -2.609
    4    HA   MET   1           HA       MET   1 -19.700   8.963  -2.463
    5    HB2  MET   1           HB2      MET   1 -21.414  10.010  -1.062
    6    HB3  MET   1           HB1      MET   1 -21.045   8.906   0.255
    7    HG2  MET   1           HG2      MET   1 -18.811   9.877   0.445
    8    HG3  MET   1           HG1      MET   1 -19.176  10.976  -0.881
    9    HE1  MET   1           HE1      MET   1 -18.097  11.815   2.033
   10    HE2  MET   1           HE2      MET   1 -19.053  13.275   2.304
   11    HE3  MET   1           HE3      MET   1 -18.363  12.954   0.712
   12    H    ALA   2           HN       ALA   2 -17.767   8.080  -2.551
   13    HA   ALA   2           HA       ALA   2 -16.881   6.437  -0.294
   14    HB1  ALA   2           HB1      ALA   2 -16.012   6.304  -3.180
   15    HB2  ALA   2           HB2      ALA   2 -17.095   5.167  -2.378
   16    HB3  ALA   2           HB3      ALA   2 -15.411   5.288  -1.870
   17    H    THR   3           HN       THR   3 -15.267   7.193   0.812
   18    HA   THR   3           HA       THR   3 -13.697   9.442  -0.180
   19    HB   THR   3           HB       THR   3 -13.709   8.072   2.491
   20    HG1  THR   3           HG1      THR   3 -15.359   9.989   1.334
   21   HG21  THR   3          HG21      THR   3 -12.678  10.165   3.301
   22   HG22  THR   3          HG22      THR   3 -12.686  10.789   1.652
   23   HG23  THR   3          HG23      THR   3 -11.690   9.391   2.059
   24    H    LEU   4           HN       LEU   4 -11.996   8.817  -1.319
   25    HA   LEU   4           HA       LEU   4 -11.059   6.080  -1.165
   26    HB2  LEU   4           HB2      LEU   4 -10.294   8.307  -3.032
   27    HB3  LEU   4           HB1      LEU   4  -9.761   6.643  -3.162
   28    HG   LEU   4           HG       LEU   4 -12.604   7.612  -3.443
   29   HD11  LEU   4          HD11      LEU   4 -10.644   6.575  -5.476
   30   HD12  LEU   4          HD12      LEU   4 -11.206   8.238  -5.323
   31   HD13  LEU   4          HD13      LEU   4 -12.336   6.966  -5.783
   32   HD21  LEU   4          HD21      LEU   4 -12.507   5.376  -2.471
   33   HD22  LEU   4          HD22      LEU   4 -11.431   4.850  -3.763
   34   HD23  LEU   4          HD23      LEU   4 -13.094   5.310  -4.133
   35    H    LEU   5           HN       LEU   5  -8.613   5.915  -1.651
   36    HA   LEU   5           HA       LEU   5  -7.262   7.065   0.648
   37    HB2  LEU   5           HB2      LEU   5  -7.074   4.659   0.243
   38    HB3  LEU   5           HB1      LEU   5  -6.425   4.965  -1.356
   39    HG   LEU   5           HG       LEU   5  -4.485   6.104  -0.270
   40   HD11  LEU   5          HD11      LEU   5  -5.701   4.933   2.189
   41   HD12  LEU   5          HD12      LEU   5  -5.491   6.648   1.827
   42   HD13  LEU   5          HD13      LEU   5  -4.074   5.619   2.095
   43   HD21  LEU   5          HD21      LEU   5  -3.383   4.070   0.421
   44   HD22  LEU   5          HD22      LEU   5  -4.297   3.824  -1.076
   45   HD23  LEU   5          HD23      LEU   5  -4.927   3.223   0.467
   46    H    THR   6           HN       THR   6  -5.825   8.669   0.434
   47    HA   THR   6           HA       THR   6  -5.251   9.688  -2.192
   48    HB   THR   6           HB       THR   6  -4.003  11.451  -0.898
   49    HG1  THR   6           HG1      THR   6  -5.247  10.325   1.389
   50   HG21  THR   6          HG21      THR   6  -6.349  11.778  -1.559
   51   HG22  THR   6          HG22      THR   6  -6.028  12.526   0.005
   52   HG23  THR   6          HG23      THR   6  -6.884  10.984  -0.079
   53    H    THR   7           HN       THR   7  -2.826  10.463  -2.418
   54    HA   THR   7           HA       THR   7  -1.247   8.112  -2.192
   55    HB   THR   7           HB       THR   7   0.508   9.735  -3.187
   56    HG1  THR   7           HG1      THR   7  -0.627  11.428  -4.387
   57   HG21  THR   7          HG21      THR   7  -1.994   8.988  -4.717
   58   HG22  THR   7          HG22      THR   7  -0.595   7.948  -4.452
   59   HG23  THR   7          HG23      THR   7  -0.440   9.397  -5.443
   60    H    ASP   8           HN       ASP   8  -1.626  11.094  -0.553
   61    HA   ASP   8           HA       ASP   8   0.804  11.107   0.862
   62    HB2  ASP   8           HB2      ASP   8  -1.831  12.408   1.479
   63    HB3  ASP   8           HB1      ASP   8  -0.488  12.497   2.611
   64    H    ASP   9           HN       ASP   9  -2.374   9.804   1.869
   65    HA   ASP   9           HA       ASP   9  -1.394   8.869   4.377
   66    HB2  ASP   9           HB2      ASP   9  -3.925   8.972   3.554
   67    HB3  ASP   9           HB1      ASP   9  -3.564   7.388   2.923
   68    H    LEU  10           HN       LEU  10  -1.614   7.419   1.194
   69    HA   LEU  10           HA       LEU  10  -0.694   4.842   1.786
   70    HB2  LEU  10           HB2      LEU  10  -1.695   5.414  -0.360
   71    HB3  LEU  10           HB1      LEU  10  -0.361   6.492  -0.725
   72    HG   LEU  10           HG       LEU  10   1.162   4.552  -0.823
   73   HD11  LEU  10          HD11      LEU  10  -1.337   2.925  -0.419
   74   HD12  LEU  10          HD12      LEU  10   0.003   3.079   0.715
   75   HD13  LEU  10          HD13      LEU  10   0.252   2.292  -0.842
   76   HD21  LEU  10          HD21      LEU  10   0.105   5.364  -2.860
   77   HD22  LEU  10          HD22      LEU  10  -1.279   4.308  -2.578
   78   HD23  LEU  10          HD23      LEU  10   0.306   3.612  -2.914
   79    H    ARG  11           HN       ARG  11   1.073   7.761   0.876
   80    HA   ARG  11           HA       ARG  11   3.649   6.709   0.958
   81    HB2  ARG  11           HB2      ARG  11   3.409   8.819  -0.036
   82    HB3  ARG  11           HB1      ARG  11   2.548   9.474   1.344
   83    HG2  ARG  11           HG2      ARG  11   4.515   9.705   2.598
   84    HG3  ARG  11           HG1      ARG  11   5.429   8.658   1.510
   85    HD2  ARG  11           HD2      ARG  11   5.937  11.070   1.250
   86    HD3  ARG  11           HD1      ARG  11   5.373  10.290  -0.222
   87    HE   ARG  11           HE       ARG  11   3.445  11.737   1.418
   88   HH11  ARG  11          HH11      ARG  11   5.447  11.564  -1.524
   89   HH12  ARG  11          HH12      ARG  11   4.651  12.855  -2.307
   90   HH21  ARG  11          HH21      ARG  11   2.291  13.546   0.229
   91   HH22  ARG  11          HH22      ARG  11   2.843  13.965  -1.316
   92    H    ARG  12           HN       ARG  12   1.744   8.230   3.494
   93    HA   ARG  12           HA       ARG  12   3.608   8.051   5.582
   94    HB2  ARG  12           HB2      ARG  12   0.577   7.922   5.703
   95    HB3  ARG  12           HB1      ARG  12   1.627   8.217   7.087
   96    HG2  ARG  12           HG2      ARG  12   2.339  10.302   6.219
   97    HG3  ARG  12           HG1      ARG  12   1.614   9.972   4.651
   98    HD2  ARG  12           HD2      ARG  12  -0.627  10.023   5.738
   99    HD3  ARG  12           HD1      ARG  12   0.159  10.487   7.252
  100    HE   ARG  12           HE       ARG  12   1.102  12.377   5.844
  101   HH11  ARG  12          HH11      ARG  12  -2.305  11.252   5.703
  102   HH12  ARG  12          HH12      ARG  12  -2.815  12.579   4.785
  103   HH21  ARG  12          HH21      ARG  12   0.311  14.196   4.590
  104   HH22  ARG  12          HH22      ARG  12  -1.350  14.299   4.199
  105    H    ALA  13           HN       ALA  13   1.191   5.773   4.424
  106    HA   ALA  13           HA       ALA  13   1.541   3.740   6.315
  107    HB1  ALA  13           HB1      ALA  13   0.733   3.469   3.421
  108    HB2  ALA  13           HB2      ALA  13  -0.354   3.826   4.762
  109    HB3  ALA  13           HB3      ALA  13   0.474   2.269   4.688
  110    H    LEU  14           HN       LEU  14   3.152   4.333   3.234
  111    HA   LEU  14           HA       LEU  14   4.718   1.972   3.268
  112    HB2  LEU  14           HB2      LEU  14   5.190   4.557   1.779
  113    HB3  LEU  14           HB1      LEU  14   6.042   3.057   1.482
  114    HG   LEU  14           HG       LEU  14   3.093   3.532   1.038
  115   HD11  LEU  14          HD11      LEU  14   3.637   3.306  -1.324
  116   HD12  LEU  14          HD12      LEU  14   5.348   3.177  -0.918
  117   HD13  LEU  14          HD13      LEU  14   4.475   4.673  -0.592
  118   HD21  LEU  14          HD21      LEU  14   3.092   1.316  -0.008
  119   HD22  LEU  14          HD22      LEU  14   3.532   1.221   1.697
  120   HD23  LEU  14          HD23      LEU  14   4.779   1.094   0.458
  121    H    VAL  15           HN       VAL  15   5.349   5.273   4.282
  122    HA   VAL  15           HA       VAL  15   8.030   5.071   5.055
  123    HB   VAL  15           HB       VAL  15   5.748   6.693   6.256
  124   HG11  VAL  15          HG11      VAL  15   7.449   8.090   7.336
  125   HG12  VAL  15          HG12      VAL  15   8.708   6.985   6.784
  126   HG13  VAL  15          HG13      VAL  15   7.499   6.437   7.945
  127   HG21  VAL  15          HG21      VAL  15   8.002   7.458   4.402
  128   HG22  VAL  15          HG22      VAL  15   6.778   8.555   5.044
  129   HG23  VAL  15          HG23      VAL  15   6.308   7.248   3.953
  130    H    GLU  16           HN       GLU  16   5.130   4.565   6.973
  131    HA   GLU  16           HA       GLU  16   6.368   3.741   9.344
  132    HB2  GLU  16           HB2      GLU  16   3.600   3.309   8.257
  133    HB3  GLU  16           HB1      GLU  16   4.087   2.904   9.898
  134    HG2  GLU  16           HG2      GLU  16   4.485   5.168  10.439
  135    HG3  GLU  16           HG1      GLU  16   4.379   5.657   8.749
  136    H    SER  17           HN       SER  17   4.824   1.770   6.774
  137    HA   SER  17           HA       SER  17   5.284  -0.640   8.243
  138    HB2  SER  17           HB2      SER  17   4.354  -0.360   5.393
  139    HB3  SER  17           HB1      SER  17   4.136  -1.753   6.459
  140    HG   SER  17           HG       SER  17   2.969   0.779   6.532
  141    H    ALA  18           HN       ALA  18   7.312   1.126   6.200
  142    HA   ALA  18           HA       ALA  18   8.807  -1.175   5.288
  143    HB1  ALA  18           HB1      ALA  18   8.746   0.873   3.943
  144    HB2  ALA  18           HB2      ALA  18  10.392   0.446   4.400
  145    HB3  ALA  18           HB3      ALA  18   9.550   1.747   5.245
  146    H    GLY  19           HN       GLY  19   8.578   0.626   8.093
  147    HA2  GLY  19           HA2      GLY  19   9.748  -0.260  10.056
  148    HA3  GLY  19           HA1      GLY  19  11.163  -0.456   9.030
  149    H    GLU  20           HN       GLU  20   8.985   2.300   9.151
  150    HA   GLU  20           HA       GLU  20   9.222   4.459   9.565
  151    HB2  GLU  20           HB2      GLU  20  11.361   3.578  11.513
  152    HB3  GLU  20           HB1      GLU  20  10.656   5.183  11.450
  153    HG2  GLU  20           HG2      GLU  20   9.142   2.651  12.033
  154    HG3  GLU  20           HG1      GLU  20   9.725   3.796  13.244
  155    H    THR  21           HN       THR  21   9.959   4.528   7.377
  156    HA   THR  21           HA       THR  21  11.241   5.273   5.678
  157    HB   THR  21           HB       THR  21  12.600   6.926   7.843
  158    HG1  THR  21           HG1      THR  21  10.521   7.514   7.880
  159   HG21  THR  21          HG21      THR  21  13.131   8.486   6.014
  160   HG22  THR  21          HG22      THR  21  12.401   7.382   4.850
  161   HG23  THR  21          HG23      THR  21  13.864   6.909   5.714
  162    H    ASP  22           HN       ASP  22  12.178   3.241   5.268
  163    HA   ASP  22           HA       ASP  22  15.064   3.310   5.689
  164    HB2  ASP  22           HB2      ASP  22  14.235   1.662   7.299
  165    HB3  ASP  22           HB1      ASP  22  13.387   0.812   6.005
  166    H    GLY  23           HN       GLY  23  15.591   3.885   3.724
  167    HA2  GLY  23           HA2      GLY  23  16.016   3.722   1.462
  168    HA3  GLY  23           HA1      GLY  23  15.457   2.054   1.552
  169    H    THR  24           HN       THR  24  13.127   4.001   2.747
  170    HA   THR  24           HA       THR  24  11.590   3.826   0.297
  171    HB   THR  24           HB       THR  24   9.856   4.303   2.364
  172    HG1  THR  24           HG1      THR  24  11.687   2.383   3.299
  173   HG21  THR  24          HG21      THR  24  10.865   1.633   1.352
  174   HG22  THR  24          HG22      THR  24   9.618   2.616   0.585
  175   HG23  THR  24          HG23      THR  24   9.327   1.905   2.172
  176    H    ASP  25           HN       ASP  25  12.444   5.842  -0.498
  177    HA   ASP  25           HA       ASP  25  11.409   8.150   0.963
  178    HB2  ASP  25           HB2      ASP  25  13.757   8.340   0.150
  179    HB3  ASP  25           HB1      ASP  25  13.176   8.131  -1.503
  180    H    LEU  26           HN       LEU  26   9.509   8.830   0.433
  181    HA   LEU  26           HA       LEU  26   8.461   8.014  -2.182
  182    HB2  LEU  26           HB2      LEU  26   6.920   8.402   0.401
  183    HB3  LEU  26           HB1      LEU  26   6.194   8.053  -1.144
  184    HG   LEU  26           HG       LEU  26   6.108   6.046  -0.019
  185   HD11  LEU  26          HD11      LEU  26   7.610   4.482  -1.118
  186   HD12  LEU  26          HD12      LEU  26   8.572   5.845  -1.691
  187   HD13  LEU  26          HD13      LEU  26   6.895   5.666  -2.214
  188   HD21  LEU  26          HD21      LEU  26   7.943   4.973   1.222
  189   HD22  LEU  26          HD22      LEU  26   7.526   6.545   1.901
  190   HD23  LEU  26          HD23      LEU  26   8.971   6.368   0.904
  191    H    SER  27           HN       SER  27   9.932  10.458  -1.404
  192    HA   SER  27           HA       SER  27   7.965  12.551  -1.516
  193    HB2  SER  27           HB2      SER  27  10.920  12.588  -1.738
  194    HB3  SER  27           HB1      SER  27   9.919  14.026  -1.503
  195    HG   SER  27           HG       SER  27  10.106  11.813   0.313
  196    H    GLY  28           HN       GLY  28   7.124  13.294  -3.406
  197    HA2  GLY  28           HA2      GLY  28   7.318  13.966  -5.665
  198    HA3  GLY  28           HA1      GLY  28   8.641  12.807  -5.865
  199    H    ASP  29           HN       ASP  29   7.676  11.595  -7.524
  200    HA   ASP  29           HA       ASP  29   5.077  10.435  -6.878
  201    HB2  ASP  29           HB2      ASP  29   5.533  11.273  -9.221
  202    HB3  ASP  29           HB1      ASP  29   6.697   9.955  -9.385
  203    H    PHE  30           HN       PHE  30   4.812   8.344  -6.430
  204    HA   PHE  30           HA       PHE  30   7.192   6.656  -6.377
  205    HB2  PHE  30           HB2      PHE  30   6.564   5.873  -4.112
  206    HB3  PHE  30           HB1      PHE  30   7.008   7.572  -4.149
  207    HD1  PHE  30           HD2      PHE  30   5.299   9.309  -3.825
  208    HD2  PHE  30           HD1      PHE  30   4.332   5.173  -3.557
  209    HE1  PHE  30           HE2      PHE  30   3.184   9.878  -2.716
  210    HE2  PHE  30           HE1      PHE  30   2.219   5.739  -2.443
  211    HZ   PHE  30           HZ       PHE  30   1.642   8.090  -2.024
  212    H    LEU  31           HN       LEU  31   4.584   6.899  -7.966
  213    HA   LEU  31           HA       LEU  31   3.136   4.596  -7.019
  214    HB2  LEU  31           HB2      LEU  31   2.565   6.561  -9.191
  215    HB3  LEU  31           HB1      LEU  31   1.631   5.093  -9.018
  216    HG   LEU  31           HG       LEU  31   0.399   6.804  -8.006
  217   HD11  LEU  31          HD11      LEU  31   0.336   4.752  -6.784
  218   HD12  LEU  31          HD12      LEU  31   0.217   6.116  -5.674
  219   HD13  LEU  31          HD13      LEU  31   1.739   5.237  -5.833
  220   HD21  LEU  31          HD21      LEU  31   2.843   7.560  -6.405
  221   HD22  LEU  31          HD22      LEU  31   1.237   8.262  -6.203
  222   HD23  LEU  31          HD23      LEU  31   2.120   8.500  -7.712
  223    H    ASP  32           HN       ASP  32   5.144   5.422  -9.783
  224    HA   ASP  32           HA       ASP  32   4.572   2.779 -10.894
  225    HB2  ASP  32           HB2      ASP  32   6.110   5.079 -12.121
  226    HB3  ASP  32           HB1      ASP  32   5.741   3.555 -12.923
  227    H    LEU  33           HN       LEU  33   6.094   3.171  -8.556
  228    HA   LEU  33           HA       LEU  33   8.795   2.286  -9.242
  229    HB2  LEU  33           HB2      LEU  33   7.399   2.831  -6.657
  230    HB3  LEU  33           HB1      LEU  33   9.075   2.294  -6.748
  231    HG   LEU  33           HG       LEU  33   7.919   4.927  -7.662
  232   HD11  LEU  33          HD11      LEU  33   9.947   4.227  -5.540
  233   HD12  LEU  33          HD12      LEU  33   8.287   4.758  -5.264
  234   HD13  LEU  33          HD13      LEU  33   9.455   5.860  -5.990
  235   HD21  LEU  33          HD21      LEU  33   9.601   4.182  -9.262
  236   HD22  LEU  33          HD22      LEU  33  10.741   3.896  -7.947
  237   HD23  LEU  33          HD23      LEU  33  10.205   5.537  -8.308
  238    H    ARG  34           HN       ARG  34   9.485   0.357  -7.808
  239    HA   ARG  34           HA       ARG  34   7.289  -1.608  -7.763
  240    HB2  ARG  34           HB2      ARG  34  10.267  -2.109  -7.803
  241    HB3  ARG  34           HB1      ARG  34   9.011  -3.335  -7.837
  242    HG2  ARG  34           HG2      ARG  34   8.266  -2.482 -10.014
  243    HG3  ARG  34           HG1      ARG  34   9.582  -1.302  -9.978
  244    HD2  ARG  34           HD2      ARG  34   9.862  -4.300  -9.930
  245    HD3  ARG  34           HD1      ARG  34  10.184  -3.240 -11.303
  246    HE   ARG  34           HE       ARG  34  11.962  -2.229  -9.892
  247   HH11  ARG  34          HH11      ARG  34  10.957  -5.605  -9.279
  248   HH12  ARG  34          HH12      ARG  34  12.412  -6.002  -8.514
  249   HH21  ARG  34          HH21      ARG  34  13.883  -2.804  -8.888
  250   HH22  ARG  34          HH22      ARG  34  14.155  -4.364  -8.239
  251    H    PHE  35           HN       PHE  35   7.037  -2.874  -5.911
  252    HA   PHE  35           HA       PHE  35   7.769  -1.600  -3.496
  253    HB2  PHE  35           HB2      PHE  35   6.441  -4.235  -4.068
  254    HB3  PHE  35           HB1      PHE  35   6.864  -3.749  -2.430
  255    HD1  PHE  35           HD1      PHE  35   6.092  -1.285  -1.830
  256    HD2  PHE  35           HD2      PHE  35   4.313  -3.772  -4.785
  257    HE1  PHE  35           HE1      PHE  35   4.001  -0.019  -1.620
  258    HE2  PHE  35           HE2      PHE  35   2.217  -2.506  -4.587
  259    HZ   PHE  35           HZ       PHE  35   2.057  -0.629  -3.002
  260    H    GLU  36           HN       GLU  36   8.940  -4.439  -5.155
  261    HA   GLU  36           HA       GLU  36  10.840  -5.329  -3.334
  262    HB2  GLU  36           HB2      GLU  36  10.263  -6.545  -5.351
  263    HB3  GLU  36           HB1      GLU  36  10.939  -5.267  -6.349
  264    HG2  GLU  36           HG2      GLU  36  13.154  -5.754  -5.504
  265    HG3  GLU  36           HG1      GLU  36  12.491  -6.999  -4.446
  266    H    ASP  37           HN       ASP  37  10.959  -2.769  -5.683
  267    HA   ASP  37           HA       ASP  37  13.689  -2.094  -5.520
  268    HB2  ASP  37           HB2      ASP  37  12.243  -1.332  -7.343
  269    HB3  ASP  37           HB1      ASP  37  11.316  -0.352  -6.214
  270    H    ILE  38           HN       ILE  38  10.886  -1.079  -3.649
  271    HA   ILE  38           HA       ILE  38  12.624   0.629  -2.063
  272    HB   ILE  38           HB       ILE  38  10.568   1.494  -0.950
  273   HG12  ILE  38          HG12      ILE  38   9.108  -0.162  -3.032
  274   HG13  ILE  38          HG11      ILE  38   9.120  -0.488  -1.304
  275   HG21  ILE  38          HG21      ILE  38  11.549   2.674  -2.809
  276   HG22  ILE  38          HG22      ILE  38   9.787   2.802  -2.884
  277   HG23  ILE  38          HG23      ILE  38  10.641   1.680  -3.947
  278   HD11  ILE  38          HD11      ILE  38   7.049   0.583  -1.996
  279   HD12  ILE  38          HD12      ILE  38   7.957   1.954  -2.636
  280   HD13  ILE  38          HD13      ILE  38   7.956   1.629  -0.904
  281    H    GLY  39           HN       GLY  39  12.551  -2.321  -1.963
  282    HA2  GLY  39           HA2      GLY  39  13.162  -3.846  -0.337
  283    HA3  GLY  39           HA1      GLY  39  13.131  -2.532   0.822
  284    H    TYR  40           HN       TYR  40  10.390  -3.504  -1.091
  285    HA   TYR  40           HA       TYR  40   9.015  -4.401   1.341
  286    HB2  TYR  40           HB2      TYR  40   8.185  -2.978  -1.103
  287    HB3  TYR  40           HB1      TYR  40   7.078  -4.205  -0.524
  288    HD1  TYR  40           HD1      TYR  40   8.926  -1.148   0.632
  289    HD2  TYR  40           HD2      TYR  40   5.566  -3.706   1.053
  290    HE1  TYR  40           HE1      TYR  40   7.892   0.458   2.207
  291    HE2  TYR  40           HE2      TYR  40   4.550  -2.146   2.613
  292    HH   TYR  40           HH       TYR  40   5.009  -0.435   3.961
  293    H    ASP  41           HN       ASP  41   7.593  -6.206   1.126
  294    HA   ASP  41           HA       ASP  41   7.931  -7.986  -1.163
  295    HB2  ASP  41           HB2      ASP  41   8.024  -8.980   1.708
  296    HB3  ASP  41           HB1      ASP  41   8.209  -9.933   0.252
  297    H    SER  42           HN       SER  42   6.249  -9.931  -0.436
  298    HA   SER  42           HA       SER  42   3.769  -8.634  -0.473
  299    HB2  SER  42           HB2      SER  42   2.921 -11.031  -0.263
  300    HB3  SER  42           HB1      SER  42   3.879 -10.625  -1.688
  301    H    LEU  43           HN       LEU  43   5.574 -10.131   2.182
  302    HA   LEU  43           HA       LEU  43   3.366 -10.169   3.970
  303    HB2  LEU  43           HB2      LEU  43   5.498 -11.465   4.307
  304    HB3  LEU  43           HB1      LEU  43   6.292  -9.955   4.720
  305    HG   LEU  43           HG       LEU  43   4.634  -9.697   6.590
  306   HD11  LEU  43          HD11      LEU  43   2.898 -11.136   5.753
  307   HD12  LEU  43          HD12      LEU  43   3.441 -11.685   7.338
  308   HD13  LEU  43          HD13      LEU  43   3.961 -12.535   5.883
  309   HD21  LEU  43          HD21      LEU  43   6.376 -12.156   6.677
  310   HD22  LEU  43          HD22      LEU  43   5.720 -11.292   8.072
  311   HD23  LEU  43          HD23      LEU  43   6.889 -10.501   7.018
  312    H    ALA  44           HN       ALA  44   5.974  -7.870   3.381
  313    HA   ALA  44           HA       ALA  44   5.139  -5.902   5.181
  314    HB1  ALA  44           HB1      ALA  44   7.336  -5.873   4.088
  315    HB2  ALA  44           HB2      ALA  44   6.479  -4.349   3.851
  316    HB3  ALA  44           HB3      ALA  44   6.559  -5.527   2.543
  317    H    LEU  45           HN       LEU  45   4.052  -6.692   1.954
  318    HA   LEU  45           HA       LEU  45   2.452  -4.405   1.572
  319    HB2  LEU  45           HB2      LEU  45   2.174  -7.173   0.406
  320    HB3  LEU  45           HB1      LEU  45   1.218  -5.792  -0.101
  321    HG   LEU  45           HG       LEU  45   4.209  -6.050  -0.343
  322   HD11  LEU  45          HD11      LEU  45   3.037  -7.454  -1.935
  323   HD12  LEU  45          HD12      LEU  45   3.772  -6.070  -2.746
  324   HD13  LEU  45          HD13      LEU  45   2.040  -6.087  -2.427
  325   HD21  LEU  45          HD21      LEU  45   2.351  -3.851  -1.205
  326   HD22  LEU  45          HD22      LEU  45   4.067  -3.958  -1.582
  327   HD23  LEU  45          HD23      LEU  45   3.542  -3.768   0.093
  328    H    MET  46           HN       MET  46   1.813  -7.535   3.003
  329    HA   MET  46           HA       MET  46  -0.930  -7.201   3.600
  330    HB2  MET  46           HB2      MET  46   1.135  -8.635   5.279
  331    HB3  MET  46           HB1      MET  46  -0.602  -8.845   5.374
  332    HG2  MET  46           HG2      MET  46   1.154  -9.499   3.070
  333    HG3  MET  46           HG1      MET  46   0.506 -10.657   4.230
  334    HE1  MET  46           HE1      MET  46  -3.387 -10.323   3.517
  335    HE2  MET  46           HE2      MET  46  -2.447  -9.357   4.654
  336    HE3  MET  46           HE3      MET  46  -2.164 -11.092   4.529
  337    H    GLU  47           HN       GLU  47   1.984  -6.449   5.355
  338    HA   GLU  47           HA       GLU  47   0.910  -5.491   7.742
  339    HB2  GLU  47           HB2      GLU  47   3.266  -6.127   7.095
  340    HB3  GLU  47           HB1      GLU  47   3.421  -4.528   6.400
  341    HG2  GLU  47           HG2      GLU  47   2.897  -3.527   8.616
  342    HG3  GLU  47           HG1      GLU  47   2.880  -5.163   9.287
  343    H    THR  48           HN       THR  48   1.696  -3.875   4.732
  344    HA   THR  48           HA       THR  48   1.010  -1.243   5.556
  345    HB   THR  48           HB       THR  48   1.134  -2.402   2.751
  346    HG1  THR  48           HG1      THR  48   3.106  -2.717   3.785
  347   HG21  THR  48          HG21      THR  48   0.048  -0.187   2.884
  348   HG22  THR  48          HG22      THR  48   1.612  -0.084   2.074
  349   HG23  THR  48          HG23      THR  48   1.450   0.444   3.750
  350    H    ALA  49           HN       ALA  49  -0.698  -3.807   3.708
  351    HA   ALA  49           HA       ALA  49  -3.015  -2.442   3.123
  352    HB1  ALA  49           HB1      ALA  49  -2.687  -5.393   3.673
  353    HB2  ALA  49           HB2      ALA  49  -2.409  -4.599   2.123
  354    HB3  ALA  49           HB3      ALA  49  -4.031  -4.638   2.815
  355    H    ALA  50           HN       ALA  50  -2.286  -4.517   5.920
  356    HA   ALA  50           HA       ALA  50  -4.681  -4.509   7.257
  357    HB1  ALA  50           HB1      ALA  50  -2.702  -5.772   7.963
  358    HB2  ALA  50           HB2      ALA  50  -3.407  -4.871   9.305
  359    HB3  ALA  50           HB3      ALA  50  -1.950  -4.274   8.512
  360    H    ARG  51           HN       ARG  51  -2.170  -2.089   7.423
  361    HA   ARG  51           HA       ARG  51  -3.192  -0.385   9.383
  362    HB2  ARG  51           HB2      ARG  51  -0.926  -0.258   8.480
  363    HB3  ARG  51           HB1      ARG  51  -1.563   0.272   6.934
  364    HG2  ARG  51           HG2      ARG  51  -2.451   2.301   8.082
  365    HG3  ARG  51           HG1      ARG  51  -1.598   1.775   9.541
  366    HD2  ARG  51           HD2      ARG  51   0.498   1.758   8.311
  367    HD3  ARG  51           HD1      ARG  51  -0.340   2.275   6.855
  368    HE   ARG  51           HE       ARG  51   0.514   3.877   9.061
  369   HH11  ARG  51          HH11      ARG  51  -1.989   3.761   6.520
  370   HH12  ARG  51          HH12      ARG  51  -2.079   5.428   6.273
  371   HH21  ARG  51          HH21      ARG  51   0.504   6.132   8.684
  372   HH22  ARG  51          HH22      ARG  51  -0.619   6.869   7.630
  373    H    LEU  52           HN       LEU  52  -3.677  -0.434   5.898
  374    HA   LEU  52           HA       LEU  52  -5.352   1.904   5.980
  375    HB2  LEU  52           HB2      LEU  52  -4.518   0.118   3.706
  376    HB3  LEU  52           HB1      LEU  52  -5.472   1.581   3.523
  377    HG   LEU  52           HG       LEU  52  -2.672   1.495   4.660
  378   HD11  LEU  52          HD11      LEU  52  -3.636   2.432   1.974
  379   HD12  LEU  52          HD12      LEU  52  -2.680   0.978   2.275
  380   HD13  LEU  52          HD13      LEU  52  -1.993   2.573   2.591
  381   HD21  LEU  52          HD21      LEU  52  -2.783   3.918   4.461
  382   HD22  LEU  52          HD22      LEU  52  -4.022   3.295   5.550
  383   HD23  LEU  52          HD23      LEU  52  -4.456   3.796   3.916
  384    H    GLU  53           HN       GLU  53  -5.743  -1.557   5.578
  385    HA   GLU  53           HA       GLU  53  -8.377  -1.644   4.856
  386    HB2  GLU  53           HB2      GLU  53  -6.774  -3.555   6.546
  387    HB3  GLU  53           HB1      GLU  53  -8.425  -3.901   6.037
  388    HG2  GLU  53           HG2      GLU  53  -7.602  -3.727   3.671
  389    HG3  GLU  53           HG1      GLU  53  -5.980  -3.551   4.330
  390    H    SER  54           HN       SER  54  -6.911  -1.659   8.090
  391    HA   SER  54           HA       SER  54  -9.396  -1.687   9.455
  392    HB2  SER  54           HB2      SER  54  -7.188  -2.534  10.355
  393    HB3  SER  54           HB1      SER  54  -6.695  -0.855  10.551
  394    HG   SER  54           HG       SER  54  -9.122  -1.711  11.655
  395    H    ARG  55           HN       ARG  55  -7.431   0.812   8.104
  396    HA   ARG  55           HA       ARG  55  -8.507   2.954   9.669
  397    HB2  ARG  55           HB2      ARG  55  -6.272   3.140   8.743
  398    HB3  ARG  55           HB1      ARG  55  -6.900   2.993   7.114
  399    HG2  ARG  55           HG2      ARG  55  -7.909   5.148   7.228
  400    HG3  ARG  55           HG1      ARG  55  -7.588   5.269   8.962
  401    HD2  ARG  55           HD2      ARG  55  -5.465   5.085   6.821
  402    HD3  ARG  55           HD1      ARG  55  -5.992   6.586   7.589
  403    HE   ARG  55           HE       ARG  55  -5.130   4.521   9.417
  404   HH11  ARG  55          HH11      ARG  55  -3.893   7.200   7.414
  405   HH12  ARG  55          HH12      ARG  55  -2.659   7.592   8.509
  406   HH21  ARG  55          HH21      ARG  55  -3.498   5.075  10.874
  407   HH22  ARG  55          HH22      ARG  55  -2.452   6.394  10.570
  408    H    TYR  56           HN       TYR  56  -9.073   1.882   6.309
  409    HA   TYR  56           HA       TYR  56 -11.319   3.753   6.222
  410    HB2  TYR  56           HB2      TYR  56  -9.980   2.191   4.035
  411    HB3  TYR  56           HB1      TYR  56 -11.384   3.231   3.798
  412    HD1  TYR  56           HD2      TYR  56 -11.197   5.653   4.102
  413    HD2  TYR  56           HD1      TYR  56  -7.815   3.103   4.366
  414    HE1  TYR  56           HE2      TYR  56  -9.731   7.601   3.871
  415    HE2  TYR  56           HE1      TYR  56  -6.339   4.999   4.157
  416    HH   TYR  56           HH       TYR  56  -7.281   8.120   4.627
  417    H    GLY  57           HN       GLY  57 -10.934   0.617   7.050
  418    HA2  GLY  57           HA2      GLY  57 -12.537  -0.942   7.591
  419    HA3  GLY  57           HA1      GLY  57 -13.759   0.176   7.006
  420    H    VAL  58           HN       VAL  58 -11.044  -1.521   5.486
  421    HA   VAL  58           HA       VAL  58 -12.989  -2.646   3.627
  422    HB   VAL  58           HB       VAL  58 -11.379  -2.576   1.750
  423   HG11  VAL  58          HG11      VAL  58 -11.845   0.103   3.005
  424   HG12  VAL  58          HG12      VAL  58 -12.979  -0.771   1.967
  425   HG13  VAL  58          HG13      VAL  58 -11.442  -0.180   1.315
  426   HG21  VAL  58          HG21      VAL  58  -9.350  -1.261   1.860
  427   HG22  VAL  58          HG22      VAL  58  -9.290  -2.557   3.062
  428   HG23  VAL  58          HG23      VAL  58  -9.667  -0.890   3.549
  429    H    SER  59           HN       SER  59 -11.834  -4.513   2.278
  430    HA   SER  59           HA       SER  59 -10.177  -6.108   4.040
  431    HB2  SER  59           HB2      SER  59 -12.824  -7.024   2.896
  432    HB3  SER  59           HB1      SER  59 -11.678  -8.029   3.787
  433    HG   SER  59           HG       SER  59 -12.031  -5.956   5.272
  434    H    ILE  60           HN       ILE  60  -8.512  -6.564   2.819
  435    HA   ILE  60           HA       ILE  60  -8.897  -7.142  -0.040
  436    HB   ILE  60           HB       ILE  60  -6.403  -6.217   1.416
  437   HG12  ILE  60          HG12      ILE  60  -8.217  -4.705  -0.475
  438   HG13  ILE  60          HG11      ILE  60  -8.177  -4.497   1.271
  439   HG21  ILE  60          HG21      ILE  60  -5.455  -5.921  -0.841
  440   HG22  ILE  60          HG22      ILE  60  -6.921  -6.605  -1.544
  441   HG23  ILE  60          HG23      ILE  60  -5.880  -7.605  -0.530
  442   HD11  ILE  60          HD11      ILE  60  -6.975  -2.747   0.167
  443   HD12  ILE  60          HD12      ILE  60  -5.940  -3.925  -0.647
  444   HD13  ILE  60          HD13      ILE  60  -5.860  -3.739   1.107
  445    HA   PRO  61           HA       PRO  61  -7.907 -11.414   1.002
  446    HB2  PRO  61           HB2      PRO  61  -7.219 -11.320  -1.895
  447    HB3  PRO  61           HB1      PRO  61  -8.204 -12.504  -1.039
  448    HG2  PRO  61           HG2      PRO  61  -9.379 -10.701  -2.540
  449    HG3  PRO  61           HG1      PRO  61 -10.048 -11.045  -0.932
  450    HD2  PRO  61           HD2      PRO  61  -8.367  -8.737  -1.826
  451    HD3  PRO  61           HD1      PRO  61  -9.782  -8.752  -0.753
  452    H    ASP  62           HN       ASP  62  -6.066 -12.468   1.443
  453    HA   ASP  62           HA       ASP  62  -3.651 -11.187   1.830
  454    HB2  ASP  62           HB2      ASP  62  -4.073 -14.160   1.466
  455    HB3  ASP  62           HB1      ASP  62  -2.727 -13.394   2.286
  456    H    ASP  63           HN       ASP  63  -4.558 -13.490  -0.718
  457    HA   ASP  63           HA       ASP  63  -1.955 -13.476  -1.896
  458    HB2  ASP  63           HB2      ASP  63  -3.527 -15.394  -2.091
  459    HB3  ASP  63           HB1      ASP  63  -4.541 -14.418  -3.147
  460    H    VAL  64           HN       VAL  64  -4.691 -11.489  -2.224
  461    HA   VAL  64           HA       VAL  64  -3.960 -10.477  -4.819
  462    HB   VAL  64           HB       VAL  64  -6.068  -9.464  -2.869
  463   HG11  VAL  64          HG11      VAL  64  -5.361  -7.709  -4.414
  464   HG12  VAL  64          HG12      VAL  64  -6.995  -8.251  -4.792
  465   HG13  VAL  64          HG13      VAL  64  -5.636  -8.787  -5.781
  466   HG21  VAL  64          HG21      VAL  64  -7.668 -10.564  -4.369
  467   HG22  VAL  64          HG22      VAL  64  -6.538 -11.719  -3.660
  468   HG23  VAL  64          HG23      VAL  64  -6.329 -11.192  -5.330
  469    H    ALA  65           HN       ALA  65  -3.801  -9.496  -1.446
  470    HA   ALA  65           HA       ALA  65  -2.793  -6.902  -1.772
  471    HB1  ALA  65           HB1      ALA  65  -2.052  -7.074   0.531
  472    HB2  ALA  65           HB2      ALA  65  -2.246  -8.821   0.479
  473    HB3  ALA  65           HB3      ALA  65  -3.668  -7.774   0.365
  474    H    GLY  66           HN       GLY  66  -1.169 -10.017  -1.503
  475    HA2  GLY  66           HA2      GLY  66   1.390  -8.685  -1.878
  476    HA3  GLY  66           HA1      GLY  66   1.181 -10.408  -1.522
  477    H    ARG  67           HN       ARG  67  -0.712  -9.033  -4.025
  478    HA   ARG  67           HA       ARG  67   0.895 -10.435  -6.015
  479    HB2  ARG  67           HB2      ARG  67  -1.514 -10.826  -5.750
  480    HB3  ARG  67           HB1      ARG  67  -1.809  -9.150  -6.166
  481    HG2  ARG  67           HG2      ARG  67  -0.844  -9.509  -8.334
  482    HG3  ARG  67           HG1      ARG  67  -0.545 -11.209  -7.912
  483    HD2  ARG  67           HD2      ARG  67  -3.228  -9.836  -8.058
  484    HD3  ARG  67           HD1      ARG  67  -2.623 -11.061  -9.179
  485    HE   ARG  67           HE       ARG  67  -2.423 -12.254  -6.785
  486   HH11  ARG  67          HH11      ARG  67  -5.177 -10.609  -8.367
  487   HH12  ARG  67          HH12      ARG  67  -6.338 -11.656  -7.696
  488   HH21  ARG  67          HH21      ARG  67  -4.077 -13.679  -5.885
  489   HH22  ARG  67          HH22      ARG  67  -5.720 -13.426  -6.244
  490    H    VAL  68           HN       VAL  68   0.095  -7.281  -4.941
  491    HA   VAL  68           HA       VAL  68   0.484  -5.950  -7.435
  492    HB   VAL  68           HB       VAL  68   0.373  -3.844  -6.035
  493   HG11  VAL  68          HG11      VAL  68  -1.631  -4.842  -7.029
  494   HG12  VAL  68          HG12      VAL  68  -1.995  -4.128  -5.460
  495   HG13  VAL  68          HG13      VAL  68  -1.824  -5.878  -5.614
  496   HG21  VAL  68          HG21      VAL  68  -0.300  -4.069  -3.694
  497   HG22  VAL  68          HG22      VAL  68   1.296  -4.793  -3.960
  498   HG23  VAL  68          HG23      VAL  68  -0.133  -5.819  -3.824
  499    H    ASP  69           HN       ASP  69   2.272  -5.205  -8.319
  500    HA   ASP  69           HA       ASP  69   4.791  -5.620  -6.886
  501    HB2  ASP  69           HB2      ASP  69   4.671  -6.705  -9.025
  502    HB3  ASP  69           HB1      ASP  69   4.152  -5.218  -9.807
  503    H    THR  70           HN       THR  70   2.918  -3.204  -8.505
  504    HA   THR  70           HA       THR  70   4.883  -1.177  -7.706
  505    HB   THR  70           HB       THR  70   3.827   0.247  -9.473
  506    HG1  THR  70           HG1      THR  70   2.335  -2.144  -9.934
  507   HG21  THR  70          HG21      THR  70   4.686  -0.998 -11.421
  508   HG22  THR  70          HG22      THR  70   4.736  -2.468 -10.440
  509   HG23  THR  70          HG23      THR  70   5.786  -1.113 -10.047
  510    HA   PRO  71           HA       PRO  71   1.916   0.550  -4.757
  511    HB2  PRO  71           HB2      PRO  71   3.052   3.139  -5.735
  512    HB3  PRO  71           HB1      PRO  71   2.828   2.577  -4.073
  513    HG2  PRO  71           HG2      PRO  71   5.240   2.551  -5.128
  514    HG3  PRO  71           HG1      PRO  71   4.687   1.166  -4.165
  515    HD2  PRO  71           HD2      PRO  71   4.886   1.444  -7.140
  516    HD3  PRO  71           HD1      PRO  71   5.301   0.059  -6.110
  517    H    ARG  72           HN       ARG  72   2.309   1.747  -8.006
  518    HA   ARG  72           HA       ARG  72  -0.026   3.122  -8.563
  519    HB2  ARG  72           HB2      ARG  72   1.731   2.682 -10.237
  520    HB3  ARG  72           HB1      ARG  72   1.320   0.977 -10.240
  521    HG2  ARG  72           HG2      ARG  72   0.425   1.963 -12.217
  522    HG3  ARG  72           HG1      ARG  72  -0.921   1.588 -11.141
  523    HD2  ARG  72           HD2      ARG  72  -1.276   3.754 -12.116
  524    HD3  ARG  72           HD1      ARG  72  -0.932   3.942 -10.398
  525    HE   ARG  72           HE       ARG  72   1.436   4.194 -11.995
  526   HH11  ARG  72          HH11      ARG  72  -1.452   6.011 -10.943
  527   HH12  ARG  72          HH12      ARG  72  -0.692   7.520 -11.151
  528   HH21  ARG  72          HH21      ARG  72   2.413   6.245 -12.274
  529   HH22  ARG  72          HH22      ARG  72   1.582   7.672 -11.897
  530    H    GLU  73           HN       GLU  73   0.447  -0.397  -8.625
  531    HA   GLU  73           HA       GLU  73  -2.237  -1.120  -9.134
  532    HB2  GLU  73           HB2      GLU  73   0.026  -2.661  -7.888
  533    HB3  GLU  73           HB1      GLU  73  -1.503  -3.358  -8.401
  534    HG2  GLU  73           HG2      GLU  73  -1.029  -2.937 -10.666
  535    HG3  GLU  73           HG1      GLU  73   0.350  -1.912 -10.254
  536    H    LEU  74           HN       LEU  74  -0.298  -0.890  -6.194
  537    HA   LEU  74           HA       LEU  74  -2.205  -1.984  -4.428
  538    HB2  LEU  74           HB2      LEU  74   0.262  -1.662  -3.993
  539    HB3  LEU  74           HB1      LEU  74  -0.050   0.034  -3.750
  540    HG   LEU  74           HG       LEU  74   0.313  -1.282  -1.654
  541   HD11  LEU  74          HD11      LEU  74  -2.393   0.000  -1.845
  542   HD12  LEU  74          HD12      LEU  74  -0.865   0.813  -1.501
  543   HD13  LEU  74          HD13      LEU  74  -1.520  -0.359  -0.356
  544   HD21  LEU  74          HD21      LEU  74  -1.479  -2.721  -0.813
  545   HD22  LEU  74          HD22      LEU  74  -0.762  -3.353  -2.294
  546   HD23  LEU  74          HD23      LEU  74  -2.330  -2.552  -2.348
  547    H    LEU  75           HN       LEU  75  -1.579   1.389  -5.354
  548    HA   LEU  75           HA       LEU  75  -3.512   2.568  -3.695
  549    HB2  LEU  75           HB2      LEU  75  -1.772   3.858  -4.851
  550    HB3  LEU  75           HB1      LEU  75  -2.496   3.475  -6.397
  551    HG   LEU  75           HG       LEU  75  -4.538   4.730  -5.691
  552   HD11  LEU  75          HD11      LEU  75  -4.308   4.554  -3.308
  553   HD12  LEU  75          HD12      LEU  75  -4.384   6.249  -3.791
  554   HD13  LEU  75          HD13      LEU  75  -2.836   5.529  -3.343
  555   HD21  LEU  75          HD21      LEU  75  -3.552   6.953  -5.988
  556   HD22  LEU  75          HD22      LEU  75  -2.846   5.774  -7.099
  557   HD23  LEU  75          HD23      LEU  75  -1.952   6.283  -5.666
  558    H    ASP  76           HN       ASP  76  -3.636   1.436  -7.024
  559    HA   ASP  76           HA       ASP  76  -6.299   2.081  -7.604
  560    HB2  ASP  76           HB2      ASP  76  -4.683   1.477  -9.333
  561    HB3  ASP  76           HB1      ASP  76  -4.579  -0.155  -8.691
  562    H    LEU  77           HN       LEU  77  -4.852  -0.865  -6.372
  563    HA   LEU  77           HA       LEU  77  -7.027  -2.530  -6.092
  564    HB2  LEU  77           HB2      LEU  77  -4.780  -3.294  -5.738
  565    HB3  LEU  77           HB1      LEU  77  -4.557  -2.201  -4.394
  566    HG   LEU  77           HG       LEU  77  -6.177  -3.521  -3.074
  567   HD11  LEU  77          HD11      LEU  77  -6.147  -5.379  -5.439
  568   HD12  LEU  77          HD12      LEU  77  -7.518  -4.419  -4.887
  569   HD13  LEU  77          HD13      LEU  77  -6.880  -5.714  -3.872
  570   HD21  LEU  77          HD21      LEU  77  -3.797  -3.975  -2.899
  571   HD22  LEU  77          HD22      LEU  77  -3.899  -5.106  -4.247
  572   HD23  LEU  77          HD23      LEU  77  -4.727  -5.463  -2.732
  573    H    ILE  78           HN       ILE  78  -5.672  -0.378  -3.592
  574    HA   ILE  78           HA       ILE  78  -7.835  -0.924  -1.866
  575    HB   ILE  78           HB       ILE  78  -5.823   1.338  -1.654
  576   HG12  ILE  78          HG12      ILE  78  -5.996  -1.443  -0.496
  577   HG13  ILE  78          HG11      ILE  78  -4.722  -0.765  -1.491
  578   HG21  ILE  78          HG21      ILE  78  -7.815   0.331   0.396
  579   HG22  ILE  78          HG22      ILE  78  -7.886   1.886  -0.426
  580   HG23  ILE  78          HG23      ILE  78  -6.568   1.545   0.697
  581   HD11  ILE  78          HD11      ILE  78  -5.355  -0.056   1.353
  582   HD12  ILE  78          HD12      ILE  78  -4.102   0.716   0.377
  583   HD13  ILE  78          HD13      ILE  78  -3.980  -1.001   0.783
  584    H    ASN  79           HN       ASN  79  -7.248   1.740  -4.110
  585    HA   ASN  79           HA       ASN  79  -9.497   3.256  -3.303
  586    HB2  ASN  79           HB2      ASN  79  -7.996   3.160  -5.908
  587    HB3  ASN  79           HB1      ASN  79  -9.482   4.090  -5.773
  588   HD21  ASN  79          HD21      ASN  79  -7.134   3.765  -3.168
  589   HD22  ASN  79          HD22      ASN  79  -6.618   5.423  -3.232
  590    H    GLY  80           HN       GLY  80  -9.186   0.631  -5.575
  591    HA2  GLY  80           HA2      GLY  80 -11.849   0.711  -6.542
  592    HA3  GLY  80           HA1      GLY  80 -10.776  -0.687  -6.595
  593    H    ALA  81           HN       ALA  81 -10.323  -1.303  -4.049
  594    HA   ALA  81           HA       ALA  81 -12.628  -2.678  -3.245
  595    HB1  ALA  81           HB1      ALA  81 -10.353  -3.418  -2.709
  596    HB2  ALA  81           HB2      ALA  81 -11.362  -3.315  -1.268
  597    HB3  ALA  81           HB3      ALA  81 -10.175  -2.051  -1.608
  598    H    LEU  82           HN       LEU  82 -11.288   0.347  -2.224
  599    HA   LEU  82           HA       LEU  82 -13.002   0.730   0.015
  600    HB2  LEU  82           HB2      LEU  82 -10.767   1.668  -0.131
  601    HB3  LEU  82           HB1      LEU  82 -11.219   2.600  -1.529
  602    HG   LEU  82           HG       LEU  82 -12.531   4.099  -0.180
  603   HD11  LEU  82          HD11      LEU  82 -11.870   2.265   2.129
  604   HD12  LEU  82          HD12      LEU  82 -13.460   2.428   1.384
  605   HD13  LEU  82          HD13      LEU  82 -12.737   3.797   2.234
  606   HD21  LEU  82          HD21      LEU  82  -9.888   3.436   1.130
  607   HD22  LEU  82          HD22      LEU  82 -10.761   4.953   1.279
  608   HD23  LEU  82          HD23      LEU  82 -10.119   4.461  -0.282
  609    H    ALA  83           HN       ALA  83 -13.110   1.653  -3.387
  610    HA   ALA  83           HA       ALA  83 -15.358   3.383  -3.106
  611    HB1  ALA  83           HB1      ALA  83 -13.818   3.575  -5.012
  612    HB2  ALA  83           HB2      ALA  83 -15.476   3.309  -5.551
  613    HB3  ALA  83           HB3      ALA  83 -14.316   1.979  -5.570
  614    H    GLU  84           HN       GLU  84 -14.894  -0.024  -3.907
  615    HA   GLU  84           HA       GLU  84 -17.707  -0.459  -4.346
  616    HB2  GLU  84           HB2      GLU  84 -17.160  -2.801  -4.622
  617    HB3  GLU  84           HB1      GLU  84 -15.981  -1.838  -5.495
  618    HG2  GLU  84           HG2      GLU  84 -14.380  -2.157  -3.715
  619    HG3  GLU  84           HG1      GLU  84 -15.566  -3.071  -2.787
  620    H    ALA  85           HN       ALA  85 -16.123   0.220  -1.635
  621    HA   ALA  85           HA       ALA  85 -17.591  -1.650   0.068
  622    HB1  ALA  85           HB1      ALA  85 -16.159  -0.848   1.880
  623    HB2  ALA  85           HB2      ALA  85 -15.411   0.314   0.782
  624    HB3  ALA  85           HB3      ALA  85 -15.196  -1.416   0.516
  625    H    ALA  86           HN       ALA  86 -18.244   1.100  -1.416
  626    HA   ALA  86           HA       ALA  86 -19.968   2.022   0.743
  627    HB1  ALA  86           HB1      ALA  86 -18.361   3.818  -1.091
  628    HB2  ALA  86           HB2      ALA  86 -18.058   3.574   0.628
  629    HB3  ALA  86           HB3      ALA  86 -19.547   4.359   0.099
  630    H28  SXD  87          H28B      SXD  87   3.189 -12.594   1.551
  631   H28A  SXD  87          H28A      SXD  87   3.435 -14.336   1.639
  632    H30  SXD  87          H30A      SXD  87   0.175 -13.772   3.235
  633   H30A  SXD  87          H30C      SXD  87   1.809 -14.398   3.445
  634   H30B  SXD  87          H30B      SXD  87   1.543 -12.660   3.293
  635    H31  SXD  87          H31A      SXD  87   0.892 -11.673   1.172
  636   H31A  SXD  87          H31C      SXD  87   0.731 -12.663  -0.278
  637   H31B  SXD  87          H31B      SXD  87  -0.485 -12.761   0.996
  638    H32  SXD  87          H32A      SXD  87   1.577 -15.944   1.141
  639   HO33  SXD  87          H33A      SXD  87  -0.274 -15.145  -0.554
  640   HN36  SXD  87          H36A      SXD  87   0.216 -16.216   3.133
  641    H37  SXD  87          H37B      SXD  87  -2.579 -16.734   2.448
  642   H37A  SXD  87          H37A      SXD  87  -2.300 -15.734   3.853
  643    H38  SXD  87          H38A      SXD  87  -2.752 -18.155   4.281
  644   H38A  SXD  87          H38B      SXD  87  -1.207 -18.559   3.505
  645   HN41  SXD  87          H41A      SXD  87  -1.263 -15.659   5.361
  646    H42  SXD  87          H42B      SXD  87   0.390 -16.810   7.451
  647   H42A  SXD  87          H42A      SXD  87  -1.150 -16.067   7.922
  648    H43  SXD  87          H43B      SXD  87   0.563 -14.400   8.122
  649   H43A  SXD  87          H43A      SXD  87   1.102 -14.747   6.468
  650    H1   SXD  87           H1A      SXD  87  -0.459 -11.168   6.168
  651    H1A  SXD  87           H1B      SXD  87   0.981 -12.160   5.895
  652    H2   SXD  87           H2A      SXD  87   1.468 -10.983   7.877
  653    H2A  SXD  87           H2B      SXD  87   0.843 -12.503   8.464
  654    H4   SXD  87           H4B      SXD  87  -2.605 -10.653   8.690
  655    H4A  SXD  87           H4A      SXD  87  -1.925 -12.163   8.058
  656    H6   SXD  87           H6C      SXD  87  -1.622 -14.113  10.765
  657    H6A  SXD  87           H6A      SXD  87  -2.118 -14.007   9.072
  658    H6B  SXD  87           H6B      SXD  87  -3.338 -13.978  10.352
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -18.408   4.531  -1.473
    2    H2   MET   1           HT2      MET   1 -19.959   5.088  -1.942
    3    H3   MET   1           HT3      MET   1 -19.606   4.783  -0.320
    4    HA   MET   1           HA       MET   1 -18.249   6.813  -1.945
    5    HB2  MET   1           HB2      MET   1 -20.624   7.344  -1.587
    6    HB3  MET   1           HB1      MET   1 -20.434   7.082   0.135
    7    HG2  MET   1           HG2      MET   1 -18.947   8.997   0.268
    8    HG3  MET   1           HG1      MET   1 -19.087   9.239  -1.472
    9    HE1  MET   1           HE1      MET   1 -22.652   9.677   1.451
   10    HE2  MET   1           HE2      MET   1 -21.021   9.232   1.957
   11    HE3  MET   1           HE3      MET   1 -21.970   8.122   0.975
   12    H    ALA   2           HN       ALA   2 -16.215   6.369  -1.191
   13    HA   ALA   2           HA       ALA   2 -15.763   6.774   1.673
   14    HB1  ALA   2           HB1      ALA   2 -14.521   4.554   0.037
   15    HB2  ALA   2           HB2      ALA   2 -15.734   4.347   1.303
   16    HB3  ALA   2           HB3      ALA   2 -14.129   4.956   1.708
   17    H    THR   3           HN       THR   3 -13.596   7.407   2.120
   18    HA   THR   3           HA       THR   3 -12.640   9.376   0.301
   19    HB   THR   3           HB       THR   3 -11.257   8.259   2.699
   20    HG1  THR   3           HG1      THR   3 -13.373   8.820   3.279
   21   HG21  THR   3          HG21      THR   3  -9.942   9.805   1.346
   22   HG22  THR   3          HG22      THR   3 -10.363  10.559   2.886
   23   HG23  THR   3          HG23      THR   3 -11.239  10.999   1.419
   24    H    LEU   4           HN       LEU   4 -11.680   8.632  -1.501
   25    HA   LEU   4           HA       LEU   4 -10.056   6.281  -1.591
   26    HB2  LEU   4           HB2      LEU   4 -10.117   8.574  -3.550
   27    HB3  LEU   4           HB1      LEU   4  -9.422   6.983  -3.799
   28    HG   LEU   4           HG       LEU   4 -12.358   7.600  -3.476
   29   HD11  LEU   4          HD11      LEU   4 -11.451   8.356  -5.589
   30   HD12  LEU   4          HD12      LEU   4 -12.507   6.961  -5.815
   31   HD13  LEU   4          HD13      LEU   4 -10.754   6.760  -5.872
   32   HD21  LEU   4          HD21      LEU   4 -12.716   5.248  -4.048
   33   HD22  LEU   4          HD22      LEU   4 -11.776   5.395  -2.563
   34   HD23  LEU   4          HD23      LEU   4 -10.974   4.983  -4.078
   35    H    LEU   5           HN       LEU   5  -8.258   6.213  -0.527
   36    HA   LEU   5           HA       LEU   5  -6.855   8.470   0.331
   37    HB2  LEU   5           HB2      LEU   5  -5.355   7.022   1.418
   38    HB3  LEU   5           HB1      LEU   5  -6.896   6.220   1.405
   39    HG   LEU   5           HG       LEU   5  -4.705   5.491  -0.521
   40   HD11  LEU   5          HD11      LEU   5  -3.974   5.122   1.792
   41   HD12  LEU   5          HD12      LEU   5  -4.291   3.597   0.963
   42   HD13  LEU   5          HD13      LEU   5  -5.467   4.236   2.111
   43   HD21  LEU   5          HD21      LEU   5  -6.005   3.457  -0.722
   44   HD22  LEU   5          HD22      LEU   5  -6.933   4.907  -1.164
   45   HD23  LEU   5          HD23      LEU   5  -7.197   4.133   0.406
   46    H    THR   6           HN       THR   6  -5.128   9.494  -0.368
   47    HA   THR   6           HA       THR   6  -4.419   9.124  -3.119
   48    HB   THR   6           HB       THR   6  -3.246  11.335  -2.601
   49    HG1  THR   6           HG1      THR   6  -3.554  12.162  -0.591
   50   HG21  THR   6          HG21      THR   6  -5.441  11.179  -3.741
   51   HG22  THR   6          HG22      THR   6  -5.362  12.578  -2.672
   52   HG23  THR   6          HG23      THR   6  -6.240  11.134  -2.172
   53    H    THR   7           HN       THR   7  -1.926  10.104  -3.295
   54    HA   THR   7           HA       THR   7  -0.176   8.077  -2.631
   55    HB   THR   7           HB       THR   7   0.346  10.986  -3.290
   56    HG1  THR   7           HG1      THR   7   0.604   9.772  -5.457
   57   HG21  THR   7          HG21      THR   7   2.027   8.512  -3.727
   58   HG22  THR   7          HG22      THR   7   2.343   9.772  -2.534
   59   HG23  THR   7          HG23      THR   7   2.438  10.143  -4.259
   60    H    ASP   8           HN       ASP   8  -0.779  11.249  -1.186
   61    HA   ASP   8           HA       ASP   8   1.175  11.191   0.793
   62    HB2  ASP   8           HB2      ASP   8  -0.135  12.954   1.978
   63    HB3  ASP   8           HB1      ASP   8   0.140  13.306   0.282
   64    H    ASP   9           HN       ASP   9  -2.054   9.854   0.822
   65    HA   ASP   9           HA       ASP   9  -1.973   9.235   3.633
   66    HB2  ASP   9           HB2      ASP   9  -4.171   9.411   2.093
   67    HB3  ASP   9           HB1      ASP   9  -3.673   7.802   1.674
   68    H    LEU  10           HN       LEU  10  -1.495   7.484   0.618
   69    HA   LEU  10           HA       LEU  10  -1.035   4.941   1.682
   70    HB2  LEU  10           HB2      LEU  10  -1.454   5.377  -0.696
   71    HB3  LEU  10           HB1      LEU  10   0.094   6.186  -0.826
   72    HG   LEU  10           HG       LEU  10   1.246   4.068  -0.352
   73   HD11  LEU  10          HD11      LEU  10  -0.026   1.978  -0.324
   74   HD12  LEU  10          HD12      LEU  10  -1.530   2.902  -0.374
   75   HD13  LEU  10          HD13      LEU  10  -0.464   3.031   1.022
   76   HD21  LEU  10          HD21      LEU  10   0.765   4.720  -2.670
   77   HD22  LEU  10          HD22      LEU  10  -0.772   3.862  -2.582
   78   HD23  LEU  10          HD23      LEU  10   0.743   2.968  -2.465
   79    H    ARG  11           HN       ARG  11   1.168   7.605   1.003
   80    HA   ARG  11           HA       ARG  11   3.525   6.287   1.717
   81    HB2  ARG  11           HB2      ARG  11   3.663   8.308   0.447
   82    HB3  ARG  11           HB1      ARG  11   2.839   9.224   1.694
   83    HG2  ARG  11           HG2      ARG  11   4.722   9.137   3.131
   84    HG3  ARG  11           HG1      ARG  11   5.520   7.930   2.122
   85    HD2  ARG  11           HD2      ARG  11   6.423  10.229   1.870
   86    HD3  ARG  11           HD1      ARG  11   5.848   9.515   0.365
   87    HE   ARG  11           HE       ARG  11   4.217  11.392   1.928
   88   HH11  ARG  11          HH11      ARG  11   5.735  10.416  -1.124
   89   HH12  ARG  11          HH12      ARG  11   5.041  11.637  -2.076
   90   HH21  ARG  11          HH21      ARG  11   3.311  13.187   0.645
   91   HH22  ARG  11          HH22      ARG  11   3.653  13.265  -1.036
   92    H    ARG  12           HN       ARG  12   1.154   7.952   3.659
   93    HA   ARG  12           HA       ARG  12   2.528   8.091   6.113
   94    HB2  ARG  12           HB2      ARG  12  -0.411   7.509   5.649
   95    HB3  ARG  12           HB1      ARG  12   0.283   7.906   7.213
   96    HG2  ARG  12           HG2      ARG  12   0.875  10.096   6.455
   97    HG3  ARG  12           HG1      ARG  12   0.392   9.696   4.807
   98    HD2  ARG  12           HD2      ARG  12  -1.925   9.391   5.588
   99    HD3  ARG  12           HD1      ARG  12  -1.420   9.860   7.214
  100    HE   ARG  12           HE       ARG  12  -0.661  11.985   6.099
  101   HH11  ARG  12          HH11      ARG  12  -3.546  10.166   4.935
  102   HH12  ARG  12          HH12      ARG  12  -4.195  11.522   4.166
  103   HH21  ARG  12          HH21      ARG  12  -1.670  13.808   5.015
  104   HH22  ARG  12          HH22      ARG  12  -3.194  13.590   4.265
  105    H    ALA  13           HN       ALA  13   0.724   5.423   4.702
  106    HA   ALA  13           HA       ALA  13   1.133   3.649   6.899
  107    HB1  ALA  13           HB1      ALA  13   0.375   3.017   4.053
  108    HB2  ALA  13           HB2      ALA  13  -0.750   3.387   5.360
  109    HB3  ALA  13           HB3      ALA  13   0.234   1.924   5.429
  110    H    LEU  14           HN       LEU  14   2.757   4.247   3.846
  111    HA   LEU  14           HA       LEU  14   4.530   2.055   3.996
  112    HB2  LEU  14           HB2      LEU  14   4.811   4.665   2.518
  113    HB3  LEU  14           HB1      LEU  14   5.908   3.310   2.336
  114    HG   LEU  14           HG       LEU  14   2.969   3.307   1.634
  115   HD11  LEU  14          HD11      LEU  14   5.426   3.300  -0.099
  116   HD12  LEU  14          HD12      LEU  14   4.301   4.642   0.109
  117   HD13  LEU  14          HD13      LEU  14   3.761   3.151  -0.665
  118   HD21  LEU  14          HD21      LEU  14   5.078   1.178   1.260
  119   HD22  LEU  14          HD22      LEU  14   3.426   1.111   0.650
  120   HD23  LEU  14          HD23      LEU  14   3.726   1.109   2.389
  121    H    VAL  15           HN       VAL  15   4.678   5.299   5.283
  122    HA   VAL  15           HA       VAL  15   7.338   5.231   6.221
  123    HB   VAL  15           HB       VAL  15   4.902   6.691   7.341
  124   HG11  VAL  15          HG11      VAL  15   6.593   6.425   9.104
  125   HG12  VAL  15          HG12      VAL  15   6.488   8.107   8.577
  126   HG13  VAL  15          HG13      VAL  15   7.821   7.091   8.029
  127   HG21  VAL  15          HG21      VAL  15   5.893   8.658   6.276
  128   HG22  VAL  15          HG22      VAL  15   5.557   7.389   5.097
  129   HG23  VAL  15          HG23      VAL  15   7.209   7.660   5.658
  130    H    GLU  16           HN       GLU  16   4.271   4.467   7.811
  131    HA   GLU  16           HA       GLU  16   5.271   3.567  10.230
  132    HB2  GLU  16           HB2      GLU  16   2.786   2.667   8.775
  133    HB3  GLU  16           HB1      GLU  16   3.133   2.353  10.470
  134    HG2  GLU  16           HG2      GLU  16   2.835   5.076   9.227
  135    HG3  GLU  16           HG1      GLU  16   1.606   4.231  10.167
  136    H    SER  17           HN       SER  17   4.576   1.626   7.321
  137    HA   SER  17           HA       SER  17   5.399  -0.767   8.548
  138    HB2  SER  17           HB2      SER  17   4.959  -0.096   5.644
  139    HB3  SER  17           HB1      SER  17   5.274  -1.721   6.258
  140    HG   SER  17           HG       SER  17   3.462  -1.534   7.549
  141    H    ALA  18           HN       ALA  18   7.212   1.591   6.630
  142    HA   ALA  18           HA       ALA  18   9.485  -0.179   6.450
  143    HB1  ALA  18           HB1      ALA  18   9.315   2.772   5.828
  144    HB2  ALA  18           HB2      ALA  18   9.052   1.465   4.672
  145    HB3  ALA  18           HB3      ALA  18  10.643   1.695   5.396
  146    H    GLY  19           HN       GLY  19   8.565   2.635   8.347
  147    HA2  GLY  19           HA2      GLY  19   9.537   2.281  10.730
  148    HA3  GLY  19           HA1      GLY  19  11.046   2.487   9.823
  149    H    GLU  20           HN       GLU  20  10.878   4.241   8.181
  150    HA   GLU  20           HA       GLU  20   9.601   6.659   9.163
  151    HB2  GLU  20           HB2      GLU  20  12.567   6.344   8.534
  152    HB3  GLU  20           HB1      GLU  20  11.764   7.855   8.917
  153    HG2  GLU  20           HG2      GLU  20  11.361   7.116  11.177
  154    HG3  GLU  20           HG1      GLU  20  12.009   5.522  10.799
  155    H    THR  21           HN       THR  21  10.728   8.299   7.243
  156    HA   THR  21           HA       THR  21   9.794   7.201   4.755
  157    HB   THR  21           HB       THR  21  11.312   9.809   5.212
  158    HG1  THR  21           HG1      THR  21   8.500   9.881   5.073
  159   HG21  THR  21          HG21      THR  21  10.055  10.557   3.222
  160   HG22  THR  21          HG22      THR  21   9.294   8.968   3.110
  161   HG23  THR  21          HG23      THR  21  11.033   9.135   2.866
  162    H    ASP  22           HN       ASP  22  11.158   5.461   4.577
  163    HA   ASP  22           HA       ASP  22  13.780   5.039   5.009
  164    HB2  ASP  22           HB2      ASP  22  12.246   3.300   4.223
  165    HB3  ASP  22           HB1      ASP  22  12.284   3.991   2.604
  166    H    GLY  23           HN       GLY  23  12.552   6.417   2.012
  167    HA2  GLY  23           HA2      GLY  23  13.779   8.359   1.252
  168    HA3  GLY  23           HA1      GLY  23  15.257   7.509   1.665
  169    H    THR  24           HN       THR  24  12.852   5.564   0.208
  170    HA   THR  24           HA       THR  24  14.377   5.076  -2.118
  171    HB   THR  24           HB       THR  24  12.127   3.718  -2.424
  172    HG1  THR  24           HG1      THR  24  11.511   3.291  -0.041
  173   HG21  THR  24          HG21      THR  24  14.354   2.744  -1.970
  174   HG22  THR  24          HG22      THR  24  13.081   1.963  -1.015
  175   HG23  THR  24          HG23      THR  24  14.155   3.138  -0.257
  176    H    ASP  25           HN       ASP  25  13.647   7.763  -2.155
  177    HA   ASP  25           HA       ASP  25  12.565   9.470  -3.190
  178    HB2  ASP  25           HB2      ASP  25  13.458   8.129  -5.213
  179    HB3  ASP  25           HB1      ASP  25  11.815   7.498  -5.355
  180    H    LEU  26           HN       LEU  26  11.258   8.144  -1.301
  181    HA   LEU  26           HA       LEU  26   8.609   7.306  -1.984
  182    HB2  LEU  26           HB2      LEU  26  10.103   6.605  -0.001
  183    HB3  LEU  26           HB1      LEU  26   9.618   8.113   0.739
  184    HG   LEU  26           HG       LEU  26   7.235   7.331   0.559
  185   HD11  LEU  26          HD11      LEU  26   7.533   5.700  -1.217
  186   HD12  LEU  26          HD12      LEU  26   6.883   4.914   0.227
  187   HD13  LEU  26          HD13      LEU  26   8.589   4.742  -0.182
  188   HD21  LEU  26          HD21      LEU  26   8.492   7.179   2.655
  189   HD22  LEU  26          HD22      LEU  26   9.131   5.610   2.165
  190   HD23  LEU  26          HD23      LEU  26   7.408   5.799   2.473
  191    H    SER  27           HN       SER  27  10.244  10.248  -1.201
  192    HA   SER  27           HA       SER  27   7.746  11.659  -0.825
  193    HB2  SER  27           HB2      SER  27   9.329  13.604  -0.304
  194    HB3  SER  27           HB1      SER  27   9.372  12.245   0.821
  195    HG   SER  27           HG       SER  27  11.182  12.781  -1.312
  196    H    GLY  28           HN       GLY  28   9.223  10.600  -3.260
  197    HA2  GLY  28           HA2      GLY  28   9.021  13.030  -4.936
  198    HA3  GLY  28           HA1      GLY  28  10.060  11.658  -5.326
  199    H    ASP  29           HN       ASP  29   9.136   9.745  -6.063
  200    HA   ASP  29           HA       ASP  29   6.269   9.664  -6.493
  201    HB2  ASP  29           HB2      ASP  29   7.115  10.780  -8.536
  202    HB3  ASP  29           HB1      ASP  29   8.199   9.417  -8.815
  203    H    PHE  30           HN       PHE  30   5.721   7.754  -5.836
  204    HA   PHE  30           HA       PHE  30   7.638   5.608  -6.316
  205    HB2  PHE  30           HB2      PHE  30   6.864   4.480  -4.237
  206    HB3  PHE  30           HB1      PHE  30   7.678   6.009  -3.956
  207    HD1  PHE  30           HD1      PHE  30   4.463   4.266  -3.925
  208    HD2  PHE  30           HD2      PHE  30   6.526   7.839  -2.953
  209    HE1  PHE  30           HE1      PHE  30   2.527   5.012  -2.600
  210    HE2  PHE  30           HE2      PHE  30   4.603   8.598  -1.623
  211    HZ   PHE  30           HZ       PHE  30   2.650   7.151  -1.355
  212    H    LEU  31           HN       LEU  31   4.632   6.706  -7.122
  213    HA   LEU  31           HA       LEU  31   3.279   4.217  -7.150
  214    HB2  LEU  31           HB2      LEU  31   2.722   6.728  -8.716
  215    HB3  LEU  31           HB1      LEU  31   1.686   5.319  -8.732
  216    HG   LEU  31           HG       LEU  31   2.276   7.101  -6.370
  217   HD11  LEU  31          HD11      LEU  31  -0.247   6.621  -7.934
  218   HD12  LEU  31          HD12      LEU  31   0.751   8.074  -7.975
  219   HD13  LEU  31          HD13      LEU  31  -0.101   7.630  -6.496
  220   HD21  LEU  31          HD21      LEU  31   0.652   5.731  -5.141
  221   HD22  LEU  31          HD22      LEU  31   2.055   4.784  -5.628
  222   HD23  LEU  31          HD23      LEU  31   0.539   4.634  -6.516
  223    H    ASP  32           HN       ASP  32   5.371   5.844  -9.469
  224    HA   ASP  32           HA       ASP  32   4.717   3.837 -11.481
  225    HB2  ASP  32           HB2      ASP  32   5.091   6.305 -12.000
  226    HB3  ASP  32           HB1      ASP  32   6.794   6.034 -11.672
  227    H    LEU  33           HN       LEU  33   6.205   3.440  -8.883
  228    HA   LEU  33           HA       LEU  33   8.675   2.162  -9.853
  229    HB2  LEU  33           HB2      LEU  33   7.693   2.793  -7.117
  230    HB3  LEU  33           HB1      LEU  33   9.247   2.041  -7.451
  231    HG   LEU  33           HG       LEU  33   8.382   4.866  -8.022
  232   HD11  LEU  33          HD11      LEU  33  10.621   3.721  -6.360
  233   HD12  LEU  33          HD12      LEU  33   9.128   4.445  -5.758
  234   HD13  LEU  33          HD13      LEU  33  10.308   5.438  -6.613
  235   HD21  LEU  33          HD21      LEU  33  10.581   5.226  -9.041
  236   HD22  LEU  33          HD22      LEU  33   9.622   4.055  -9.954
  237   HD23  LEU  33          HD23      LEU  33  10.925   3.500  -8.899
  238    H    ARG  34           HN       ARG  34   9.131   0.120  -8.446
  239    HA   ARG  34           HA       ARG  34   6.662  -1.444  -8.113
  240    HB2  ARG  34           HB2      ARG  34   9.472  -2.364  -8.716
  241    HB3  ARG  34           HB1      ARG  34   8.058  -3.393  -8.564
  242    HG2  ARG  34           HG2      ARG  34   7.101  -2.416 -10.559
  243    HG3  ARG  34           HG1      ARG  34   8.463  -1.296 -10.683
  244    HD2  ARG  34           HD2      ARG  34   8.725  -3.222 -12.176
  245    HD3  ARG  34           HD1      ARG  34   9.993  -3.157 -10.951
  246    HE   ARG  34           HE       ARG  34   7.610  -4.807 -10.596
  247   HH11  ARG  34          HH11      ARG  34  11.147  -4.527 -10.794
  248   HH12  ARG  34          HH12      ARG  34  11.463  -6.085 -10.199
  249   HH21  ARG  34          HH21      ARG  34   8.004  -6.894  -9.822
  250   HH22  ARG  34          HH22      ARG  34   9.574  -7.563  -9.681
  251    H    PHE  35           HN       PHE  35   6.820  -3.020  -6.324
  252    HA   PHE  35           HA       PHE  35   7.980  -1.819  -4.023
  253    HB2  PHE  35           HB2      PHE  35   6.567  -4.443  -4.394
  254    HB3  PHE  35           HB1      PHE  35   7.277  -3.970  -2.852
  255    HD1  PHE  35           HD1      PHE  35   6.576  -1.491  -2.115
  256    HD2  PHE  35           HD2      PHE  35   4.361  -4.025  -4.708
  257    HE1  PHE  35           HE1      PHE  35   4.532  -0.225  -1.609
  258    HE2  PHE  35           HE2      PHE  35   2.313  -2.765  -4.209
  259    HZ   PHE  35           HZ       PHE  35   2.420  -0.878  -2.532
  260    H    GLU  36           HN       GLU  36   8.920  -4.465  -6.077
  261    HA   GLU  36           HA       GLU  36  11.046  -5.504  -4.615
  262    HB2  GLU  36           HB2      GLU  36  10.140  -6.482  -6.707
  263    HB3  GLU  36           HB1      GLU  36  10.842  -5.156  -7.613
  264    HG2  GLU  36           HG2      GLU  36  13.084  -5.895  -6.869
  265    HG3  GLU  36           HG1      GLU  36  12.326  -7.276  -6.079
  266    H    ASP  37           HN       ASP  37  10.819  -2.554  -6.502
  267    HA   ASP  37           HA       ASP  37  13.615  -1.968  -6.669
  268    HB2  ASP  37           HB2      ASP  37  11.291  -0.022  -6.725
  269    HB3  ASP  37           HB1      ASP  37  12.949   0.372  -7.123
  270    H    ILE  38           HN       ILE  38  11.007  -0.949  -4.542
  271    HA   ILE  38           HA       ILE  38  12.837   0.658  -3.003
  272    HB   ILE  38           HB       ILE  38  10.877   1.421  -1.719
  273   HG12  ILE  38          HG12      ILE  38   9.298  -0.368  -3.595
  274   HG13  ILE  38          HG11      ILE  38   9.531  -0.656  -1.876
  275   HG21  ILE  38          HG21      ILE  38   9.802   2.639  -3.569
  276   HG22  ILE  38          HG22      ILE  38  10.581   1.549  -4.717
  277   HG23  ILE  38          HG23      ILE  38  11.561   2.615  -3.710
  278   HD11  ILE  38          HD11      ILE  38   8.296   1.382  -1.363
  279   HD12  ILE  38          HD12      ILE  38   7.331   0.275  -2.343
  280   HD13  ILE  38          HD13      ILE  38   8.078   1.690  -3.085
  281    H    GLY  39           HN       GLY  39  12.645  -2.404  -2.933
  282    HA2  GLY  39           HA2      GLY  39  13.339  -3.970  -1.394
  283    HA3  GLY  39           HA1      GLY  39  13.660  -2.638  -0.297
  284    H    TYR  40           HN       TYR  40  10.495  -3.260  -1.647
  285    HA   TYR  40           HA       TYR  40   9.597  -3.817   1.065
  286    HB2  TYR  40           HB2      TYR  40   8.441  -2.355  -1.140
  287    HB3  TYR  40           HB1      TYR  40   7.332  -3.598  -0.565
  288    HD1  TYR  40           HD1      TYR  40   9.247  -0.597   0.442
  289    HD2  TYR  40           HD2      TYR  40   6.259  -3.417   1.537
  290    HE1  TYR  40           HE1      TYR  40   8.621   0.814   2.363
  291    HE2  TYR  40           HE2      TYR  40   5.627  -2.021   3.449
  292    HH   TYR  40           HH       TYR  40   6.759   1.185   3.870
  293    H    ASP  41           HN       ASP  41   8.397  -5.578   1.573
  294    HA   ASP  41           HA       ASP  41   8.675  -7.818  -0.322
  295    HB2  ASP  41           HB2      ASP  41   8.250  -7.960   2.669
  296    HB3  ASP  41           HB1      ASP  41   8.639  -9.284   1.591
  297    H    SER  42           HN       SER  42   6.900  -9.248  -0.440
  298    HA   SER  42           HA       SER  42   4.409  -8.018  -0.436
  299    HB2  SER  42           HB2      SER  42   3.764 -10.679  -0.482
  300    HB3  SER  42           HB1      SER  42   4.158  -9.712  -1.895
  301    H    LEU  43           HN       LEU  43   5.905  -9.995   2.021
  302    HA   LEU  43           HA       LEU  43   3.596 -10.207   3.664
  303    HB2  LEU  43           HB2      LEU  43   5.629 -11.582   3.994
  304    HB3  LEU  43           HB1      LEU  43   6.483 -10.156   4.551
  305    HG   LEU  43           HG       LEU  43   4.827  -9.972   6.413
  306   HD11  LEU  43          HD11      LEU  43   3.960 -12.693   5.464
  307   HD12  LEU  43          HD12      LEU  43   2.997 -11.214   5.443
  308   HD13  LEU  43          HD13      LEU  43   3.483 -11.931   6.979
  309   HD21  LEU  43          HD21      LEU  43   7.016 -10.939   6.768
  310   HD22  LEU  43          HD22      LEU  43   6.418 -12.527   6.275
  311   HD23  LEU  43          HD23      LEU  43   5.803 -11.768   7.745
  312    H    ALA  44           HN       ALA  44   5.990  -7.729   3.241
  313    HA   ALA  44           HA       ALA  44   5.183  -6.166   5.487
  314    HB1  ALA  44           HB1      ALA  44   6.729  -5.347   3.017
  315    HB2  ALA  44           HB2      ALA  44   7.433  -5.934   4.524
  316    HB3  ALA  44           HB3      ALA  44   6.571  -4.396   4.494
  317    H    LEU  45           HN       LEU  45   4.291  -6.444   2.135
  318    HA   LEU  45           HA       LEU  45   2.682  -4.153   1.889
  319    HB2  LEU  45           HB2      LEU  45   2.275  -6.835   0.564
  320    HB3  LEU  45           HB1      LEU  45   1.579  -5.314   0.039
  321    HG   LEU  45           HG       LEU  45   4.475  -6.103  -0.016
  322   HD11  LEU  45          HD11      LEU  45   3.170  -7.090  -1.787
  323   HD12  LEU  45          HD12      LEU  45   4.230  -5.836  -2.433
  324   HD13  LEU  45          HD13      LEU  45   2.512  -5.511  -2.214
  325   HD21  LEU  45          HD21      LEU  45   4.273  -3.770   0.608
  326   HD22  LEU  45          HD22      LEU  45   3.194  -3.485  -0.755
  327   HD23  LEU  45          HD23      LEU  45   4.879  -3.921  -1.042
  328    H    MET  46           HN       MET  46   2.031  -7.373   3.052
  329    HA   MET  46           HA       MET  46  -0.728  -7.248   3.560
  330    HB2  MET  46           HB2      MET  46   1.376  -8.584   5.283
  331    HB3  MET  46           HB1      MET  46  -0.342  -8.933   5.304
  332    HG2  MET  46           HG2      MET  46   1.501  -9.376   2.989
  333    HG3  MET  46           HG1      MET  46   1.004 -10.616   4.136
  334    HE1  MET  46           HE1      MET  46  -2.864 -10.791   3.470
  335    HE2  MET  46           HE2      MET  46  -2.042  -9.735   4.621
  336    HE3  MET  46           HE3      MET  46  -1.521 -11.409   4.433
  337    H    GLU  47           HN       GLU  47   2.026  -6.424   5.548
  338    HA   GLU  47           HA       GLU  47   0.743  -5.626   7.894
  339    HB2  GLU  47           HB2      GLU  47   3.229  -6.169   7.281
  340    HB3  GLU  47           HB1      GLU  47   3.330  -4.478   6.874
  341    HG2  GLU  47           HG2      GLU  47   2.543  -5.481   9.600
  342    HG3  GLU  47           HG1      GLU  47   4.194  -5.102   9.133
  343    H    THR  48           HN       THR  48   1.938  -3.691   5.134
  344    HA   THR  48           HA       THR  48   1.060  -1.169   5.921
  345    HB   THR  48           HB       THR  48   1.290  -2.318   3.124
  346    HG1  THR  48           HG1      THR  48   3.126  -1.436   5.041
  347   HG21  THR  48          HG21      THR  48   1.501   0.533   4.125
  348   HG22  THR  48          HG22      THR  48   0.168  -0.129   3.180
  349   HG23  THR  48          HG23      THR  48   1.775   0.010   2.465
  350    H    ALA  49           HN       ALA  49  -0.508  -3.499   3.683
  351    HA   ALA  49           HA       ALA  49  -2.801  -2.043   3.121
  352    HB1  ALA  49           HB1      ALA  49  -2.057  -3.988   1.827
  353    HB2  ALA  49           HB2      ALA  49  -3.753  -4.119   2.300
  354    HB3  ALA  49           HB3      ALA  49  -2.523  -5.044   3.161
  355    H    ALA  50           HN       ALA  50  -2.269  -4.466   5.656
  356    HA   ALA  50           HA       ALA  50  -4.807  -4.793   6.672
  357    HB1  ALA  50           HB1      ALA  50  -2.837  -6.042   7.406
  358    HB2  ALA  50           HB2      ALA  50  -3.750  -5.391   8.771
  359    HB3  ALA  50           HB3      ALA  50  -2.258  -4.607   8.254
  360    H    ARG  51           HN       ARG  51  -2.468  -2.306   7.474
  361    HA   ARG  51           HA       ARG  51  -3.957  -1.023   9.491
  362    HB2  ARG  51           HB2      ARG  51  -1.589  -0.608   9.233
  363    HB3  ARG  51           HB1      ARG  51  -1.848   0.069   7.631
  364    HG2  ARG  51           HG2      ARG  51  -3.156   1.884   8.629
  365    HG3  ARG  51           HG1      ARG  51  -2.832   1.215  10.232
  366    HD2  ARG  51           HD2      ARG  51  -0.445   1.463   9.828
  367    HD3  ARG  51           HD1      ARG  51  -0.793   2.183   8.257
  368    HE   ARG  51           HE       ARG  51  -1.858   4.031   9.433
  369   HH11  ARG  51          HH11      ARG  51   0.048   1.867  11.463
  370   HH12  ARG  51          HH12      ARG  51   0.552   3.076  12.533
  371   HH21  ARG  51          HH21      ARG  51  -1.284   5.656  10.860
  372   HH22  ARG  51          HH22      ARG  51  -0.267   5.348  12.208
  373    H    LEU  52           HN       LEU  52  -3.706  -0.528   6.037
  374    HA   LEU  52           HA       LEU  52  -5.328   1.786   5.997
  375    HB2  LEU  52           HB2      LEU  52  -4.592  -0.085   3.750
  376    HB3  LEU  52           HB1      LEU  52  -5.339   1.491   3.552
  377    HG   LEU  52           HG       LEU  52  -2.598   0.998   4.726
  378   HD11  LEU  52          HD11      LEU  52  -1.761   2.083   2.725
  379   HD12  LEU  52          HD12      LEU  52  -3.408   2.207   2.105
  380   HD13  LEU  52          HD13      LEU  52  -2.667   0.619   2.319
  381   HD21  LEU  52          HD21      LEU  52  -3.686   2.926   5.722
  382   HD22  LEU  52          HD22      LEU  52  -4.040   3.566   4.116
  383   HD23  LEU  52          HD23      LEU  52  -2.368   3.423   4.661
  384    H    GLU  53           HN       GLU  53  -6.003  -1.664   5.494
  385    HA   GLU  53           HA       GLU  53  -8.676  -1.491   4.791
  386    HB2  GLU  53           HB2      GLU  53  -7.489  -3.507   6.686
  387    HB3  GLU  53           HB1      GLU  53  -8.958  -3.684   5.749
  388    HG2  GLU  53           HG2      GLU  53  -7.565  -3.583   3.705
  389    HG3  GLU  53           HG1      GLU  53  -6.148  -3.598   4.749
  390    H    SER  54           HN       SER  54  -7.180  -1.759   7.999
  391    HA   SER  54           HA       SER  54  -9.414  -1.680   9.618
  392    HB2  SER  54           HB2      SER  54  -7.253  -2.246  10.523
  393    HB3  SER  54           HB1      SER  54  -6.602  -0.667  10.104
  394    HG   SER  54           HG       SER  54  -8.707  -1.125  11.970
  395    H    ARG  55           HN       ARG  55  -7.591   1.063   8.249
  396    HA   ARG  55           HA       ARG  55  -8.895   3.043   9.717
  397    HB2  ARG  55           HB2      ARG  55  -7.298   3.061   7.188
  398    HB3  ARG  55           HB1      ARG  55  -7.852   4.496   8.032
  399    HG2  ARG  55           HG2      ARG  55  -6.519   3.938   9.957
  400    HG3  ARG  55           HG1      ARG  55  -6.072   2.390   9.233
  401    HD2  ARG  55           HD2      ARG  55  -4.257   3.933   8.959
  402    HD3  ARG  55           HD1      ARG  55  -4.988   3.616   7.388
  403    HE   ARG  55           HE       ARG  55  -5.596   6.016   8.969
  404   HH11  ARG  55          HH11      ARG  55  -4.881   4.528   5.840
  405   HH12  ARG  55          HH12      ARG  55  -4.718   6.027   5.032
  406   HH21  ARG  55          HH21      ARG  55  -5.252   8.017   7.848
  407   HH22  ARG  55          HH22      ARG  55  -4.892   8.004   6.151
  408    H    TYR  56           HN       TYR  56  -9.461   1.630   6.531
  409    HA   TYR  56           HA       TYR  56 -11.592   3.566   6.141
  410    HB2  TYR  56           HB2      TYR  56 -10.196   1.766   4.193
  411    HB3  TYR  56           HB1      TYR  56 -11.581   2.768   3.759
  412    HD1  TYR  56           HD2      TYR  56 -11.416   5.209   3.826
  413    HD2  TYR  56           HD1      TYR  56  -8.050   2.734   4.560
  414    HE1  TYR  56           HE2      TYR  56  -9.943   7.148   3.549
  415    HE2  TYR  56           HE1      TYR  56  -6.565   4.623   4.300
  416    HH   TYR  56           HH       TYR  56  -6.472   6.841   3.448
  417    H    GLY  57           HN       GLY  57 -11.297   0.289   6.984
  418    HA2  GLY  57           HA2      GLY  57 -13.044  -0.983   7.820
  419    HA3  GLY  57           HA1      GLY  57 -14.189   0.124   7.079
  420    H    VAL  58           HN       VAL  58 -11.515  -1.650   5.614
  421    HA   VAL  58           HA       VAL  58 -13.515  -3.032   3.965
  422    HB   VAL  58           HB       VAL  58 -12.038  -2.988   1.995
  423   HG11  VAL  58          HG11      VAL  58 -12.221  -0.631   1.430
  424   HG12  VAL  58          HG12      VAL  58 -12.444  -0.252   3.135
  425   HG13  VAL  58          HG13      VAL  58 -13.675  -1.191   2.275
  426   HG21  VAL  58          HG21      VAL  58  -9.876  -2.869   3.154
  427   HG22  VAL  58          HG22      VAL  58 -10.242  -1.201   3.626
  428   HG23  VAL  58          HG23      VAL  58 -10.029  -1.607   1.928
  429    H    SER  59           HN       SER  59 -12.422  -4.951   2.711
  430    HA   SER  59           HA       SER  59 -10.369  -6.261   4.271
  431    HB2  SER  59           HB2      SER  59 -13.077  -7.473   3.657
  432    HB3  SER  59           HB1      SER  59 -11.706  -8.343   4.352
  433    HG   SER  59           HG       SER  59 -12.058  -6.134   5.715
  434    H    ILE  60           HN       ILE  60  -8.889  -6.607   2.816
  435    HA   ILE  60           HA       ILE  60  -9.638  -7.185   0.041
  436    HB   ILE  60           HB       ILE  60  -7.044  -6.156   1.240
  437   HG12  ILE  60          HG12      ILE  60  -9.116  -4.740  -0.453
  438   HG13  ILE  60          HG11      ILE  60  -8.909  -4.534   1.281
  439   HG21  ILE  60          HG21      ILE  60  -6.598  -7.491  -0.747
  440   HG22  ILE  60          HG22      ILE  60  -6.310  -5.781  -1.072
  441   HG23  ILE  60          HG23      ILE  60  -7.782  -6.556  -1.659
  442   HD11  ILE  60          HD11      ILE  60  -6.883  -3.841  -0.827
  443   HD12  ILE  60          HD12      ILE  60  -6.685  -3.617   0.912
  444   HD13  ILE  60          HD13      ILE  60  -7.914  -2.704   0.038
  445    HA   PRO  61           HA       PRO  61  -8.254 -11.478   0.407
  446    HB2  PRO  61           HB2      PRO  61  -7.460 -10.819  -2.404
  447    HB3  PRO  61           HB1      PRO  61  -8.321 -12.236  -1.799
  448    HG2  PRO  61           HG2      PRO  61  -9.662 -10.344  -3.033
  449    HG3  PRO  61           HG1      PRO  61 -10.324 -11.055  -1.547
  450    HD2  PRO  61           HD2      PRO  61  -8.989  -8.417  -1.956
  451    HD3  PRO  61           HD1      PRO  61 -10.367  -8.839  -0.920
  452    H    ASP  62           HN       ASP  62  -6.331 -12.371   0.906
  453    HA   ASP  62           HA       ASP  62  -4.091 -10.663   1.376
  454    HB2  ASP  62           HB2      ASP  62  -4.041 -13.678   1.480
  455    HB3  ASP  62           HB1      ASP  62  -2.957 -12.565   2.290
  456    H    ASP  63           HN       ASP  63  -4.853 -13.073  -1.042
  457    HA   ASP  63           HA       ASP  63  -2.197 -13.335  -2.055
  458    HB2  ASP  63           HB2      ASP  63  -4.813 -13.964  -3.447
  459    HB3  ASP  63           HB1      ASP  63  -3.220 -14.412  -4.036
  460    H    VAL  64           HN       VAL  64  -4.760 -11.172  -2.566
  461    HA   VAL  64           HA       VAL  64  -3.702 -10.103  -5.009
  462    HB   VAL  64           HB       VAL  64  -5.867  -8.996  -3.181
  463   HG11  VAL  64          HG11      VAL  64  -6.549  -7.680  -5.123
  464   HG12  VAL  64          HG12      VAL  64  -5.179  -8.313  -6.036
  465   HG13  VAL  64          HG13      VAL  64  -4.903  -7.285  -4.631
  466   HG21  VAL  64          HG21      VAL  64  -6.443 -11.193  -4.057
  467   HG22  VAL  64          HG22      VAL  64  -6.085 -10.646  -5.697
  468   HG23  VAL  64          HG23      VAL  64  -7.436  -9.944  -4.808
  469    H    ALA  65           HN       ALA  65  -3.707  -9.282  -1.570
  470    HA   ALA  65           HA       ALA  65  -2.417  -6.781  -1.734
  471    HB1  ALA  65           HB1      ALA  65  -2.309  -8.815   0.485
  472    HB2  ALA  65           HB2      ALA  65  -3.548  -7.563   0.306
  473    HB3  ALA  65           HB3      ALA  65  -1.865  -7.119   0.621
  474    H    GLY  66           HN       GLY  66  -1.207 -10.064  -1.534
  475    HA2  GLY  66           HA2      GLY  66   1.534  -9.060  -1.745
  476    HA3  GLY  66           HA1      GLY  66   1.079 -10.740  -1.422
  477    H    ARG  67           HN       ARG  67  -0.368  -8.840  -3.937
  478    HA   ARG  67           HA       ARG  67   1.216 -10.332  -5.931
  479    HB2  ARG  67           HB2      ARG  67  -1.125 -11.095  -5.752
  480    HB3  ARG  67           HB1      ARG  67  -1.662  -9.466  -6.134
  481    HG2  ARG  67           HG2      ARG  67  -0.512  -9.640  -8.286
  482    HG3  ARG  67           HG1      ARG  67  -0.100 -11.313  -7.892
  483    HD2  ARG  67           HD2      ARG  67  -2.094 -11.230  -9.300
  484    HD3  ARG  67           HD1      ARG  67  -2.476 -11.852  -7.694
  485    HE   ARG  67           HE       ARG  67  -2.864  -9.085  -7.706
  486   HH11  ARG  67          HH11      ARG  67  -4.398 -12.033  -8.965
  487   HH12  ARG  67          HH12      ARG  67  -5.906 -11.288  -9.231
  488   HH21  ARG  67          HH21      ARG  67  -4.927  -8.099  -8.024
  489   HH22  ARG  67          HH22      ARG  67  -6.253  -9.013  -8.621
  490    H    VAL  68           HN       VAL  68  -0.122  -7.324  -4.888
  491    HA   VAL  68           HA       VAL  68   0.096  -5.826  -7.241
  492    HB   VAL  68           HB       VAL  68   0.107  -3.820  -5.721
  493   HG11  VAL  68          HG11      VAL  68  -1.982  -4.815  -6.462
  494   HG12  VAL  68          HG12      VAL  68  -2.132  -4.214  -4.810
  495   HG13  VAL  68          HG13      VAL  68  -1.943  -5.941  -5.104
  496   HG21  VAL  68          HG21      VAL  68   1.356  -4.778  -3.844
  497   HG22  VAL  68          HG22      VAL  68   0.030  -5.899  -3.530
  498   HG23  VAL  68          HG23      VAL  68  -0.209  -4.167  -3.315
  499    H    ASP  69           HN       ASP  69   1.817  -5.656  -8.376
  500    HA   ASP  69           HA       ASP  69   4.445  -5.963  -7.293
  501    HB2  ASP  69           HB2      ASP  69   3.818  -6.841  -9.493
  502    HB3  ASP  69           HB1      ASP  69   3.564  -5.202 -10.073
  503    H    THR  70           HN       THR  70   2.499  -3.237  -8.299
  504    HA   THR  70           HA       THR  70   4.762  -1.481  -7.678
  505    HB   THR  70           HB       THR  70   3.568   0.200  -9.045
  506    HG1  THR  70           HG1      THR  70   1.870  -0.985 -10.460
  507   HG21  THR  70          HG21      THR  70   4.043  -2.425 -10.474
  508   HG22  THR  70          HG22      THR  70   5.269  -1.217 -10.097
  509   HG23  THR  70          HG23      THR  70   3.978  -0.829 -11.235
  510    HA   PRO  71           HA       PRO  71   2.319   0.290  -4.287
  511    HB2  PRO  71           HB2      PRO  71   3.464   2.847  -5.346
  512    HB3  PRO  71           HB1      PRO  71   3.435   2.245  -3.683
  513    HG2  PRO  71           HG2      PRO  71   5.683   2.136  -5.048
  514    HG3  PRO  71           HG1      PRO  71   5.186   0.749  -4.056
  515    HD2  PRO  71           HD2      PRO  71   5.002   1.117  -7.025
  516    HD3  PRO  71           HD1      PRO  71   5.483  -0.320  -6.095
  517    H    ARG  72           HN       ARG  72   2.478   1.632  -7.509
  518    HA   ARG  72           HA       ARG  72   0.107   3.068  -7.695
  519    HB2  ARG  72           HB2      ARG  72   1.602   3.011  -9.551
  520    HB3  ARG  72           HB1      ARG  72   1.459   1.268  -9.695
  521    HG2  ARG  72           HG2      ARG  72  -0.809   1.479 -10.475
  522    HG3  ARG  72           HG1      ARG  72  -0.760   3.228 -10.226
  523    HD2  ARG  72           HD2      ARG  72   1.087   1.731 -12.073
  524    HD3  ARG  72           HD1      ARG  72  -0.416   2.503 -12.589
  525    HE   ARG  72           HE       ARG  72   0.623   4.570 -11.561
  526   HH11  ARG  72          HH11      ARG  72   2.644   2.042 -13.173
  527   HH12  ARG  72          HH12      ARG  72   3.764   3.199 -13.705
  528   HH21  ARG  72          HH21      ARG  72   2.250   6.047 -12.359
  529   HH22  ARG  72          HH22      ARG  72   3.562   5.405 -13.264
  530    H    GLU  73           HN       GLU  73   0.506  -0.427  -8.409
  531    HA   GLU  73           HA       GLU  73  -2.225  -0.937  -8.690
  532    HB2  GLU  73           HB2      GLU  73   0.103  -2.738  -8.124
  533    HB3  GLU  73           HB1      GLU  73  -1.537  -3.347  -8.285
  534    HG2  GLU  73           HG2      GLU  73  -0.036  -1.804 -10.385
  535    HG3  GLU  73           HG1      GLU  73  -0.260  -3.551 -10.355
  536    H    LEU  74           HN       LEU  74  -0.172  -0.999  -5.861
  537    HA   LEU  74           HA       LEU  74  -2.065  -2.241  -4.155
  538    HB2  LEU  74           HB2      LEU  74   0.391  -1.994  -3.657
  539    HB3  LEU  74           HB1      LEU  74   0.133  -0.291  -3.391
  540    HG   LEU  74           HG       LEU  74   0.429  -1.690  -1.315
  541   HD11  LEU  74          HD11      LEU  74  -2.172  -0.203  -1.487
  542   HD12  LEU  74          HD12      LEU  74  -0.590   0.490  -1.133
  543   HD13  LEU  74          HD13      LEU  74  -1.329  -0.644  -0.002
  544   HD21  LEU  74          HD21      LEU  74  -0.812  -3.661  -1.990
  545   HD22  LEU  74          HD22      LEU  74  -2.309  -2.728  -2.026
  546   HD23  LEU  74          HD23      LEU  74  -1.472  -2.994  -0.495
  547    H    LEU  75           HN       LEU  75  -1.389   1.164  -4.894
  548    HA   LEU  75           HA       LEU  75  -3.345   2.231  -3.171
  549    HB2  LEU  75           HB2      LEU  75  -1.486   3.542  -4.160
  550    HB3  LEU  75           HB1      LEU  75  -2.247   3.407  -5.732
  551    HG   LEU  75           HG       LEU  75  -4.170   4.700  -4.909
  552   HD11  LEU  75          HD11      LEU  75  -2.559   4.933  -2.372
  553   HD12  LEU  75          HD12      LEU  75  -4.083   4.059  -2.583
  554   HD13  LEU  75          HD13      LEU  75  -4.045   5.814  -2.740
  555   HD21  LEU  75          HD21      LEU  75  -2.308   5.858  -5.988
  556   HD22  LEU  75          HD22      LEU  75  -1.504   6.029  -4.428
  557   HD23  LEU  75          HD23      LEU  75  -3.031   6.858  -4.727
  558    H    ASP  76           HN       ASP  76  -3.363   1.421  -6.607
  559    HA   ASP  76           HA       ASP  76  -5.982   2.107  -7.254
  560    HB2  ASP  76           HB2      ASP  76  -4.357   1.479  -8.965
  561    HB3  ASP  76           HB1      ASP  76  -4.287  -0.161  -8.330
  562    H    LEU  77           HN       LEU  77  -4.680  -0.875  -5.936
  563    HA   LEU  77           HA       LEU  77  -6.969  -2.438  -5.888
  564    HB2  LEU  77           HB2      LEU  77  -4.798  -3.365  -5.422
  565    HB3  LEU  77           HB1      LEU  77  -4.627  -2.358  -4.001
  566    HG   LEU  77           HG       LEU  77  -6.421  -3.603  -2.893
  567   HD11  LEU  77          HD11      LEU  77  -7.288  -5.663  -3.883
  568   HD12  LEU  77          HD12      LEU  77  -6.418  -5.312  -5.376
  569   HD13  LEU  77          HD13      LEU  77  -7.719  -4.248  -4.843
  570   HD21  LEU  77          HD21      LEU  77  -5.183  -5.690  -2.579
  571   HD22  LEU  77          HD22      LEU  77  -4.106  -4.294  -2.601
  572   HD23  LEU  77          HD23      LEU  77  -4.226  -5.337  -4.019
  573    H    ILE  78           HN       ILE  78  -5.662  -0.404  -3.275
  574    HA   ILE  78           HA       ILE  78  -7.926  -0.948  -1.685
  575    HB   ILE  78           HB       ILE  78  -5.876   1.262  -1.273
  576   HG12  ILE  78          HG12      ILE  78  -6.097  -1.576  -0.255
  577   HG13  ILE  78          HG11      ILE  78  -4.864  -0.931  -1.325
  578   HG21  ILE  78          HG21      ILE  78  -7.886   0.063   0.670
  579   HG22  ILE  78          HG22      ILE  78  -7.983   1.680  -0.025
  580   HG23  ILE  78          HG23      ILE  78  -6.665   1.275   1.068
  581   HD11  ILE  78          HD11      ILE  78  -5.291  -0.216   1.554
  582   HD12  ILE  78          HD12      ILE  78  -4.057   0.478   0.496
  583   HD13  ILE  78          HD13      ILE  78  -4.007  -1.240   0.906
  584    H    ASN  79           HN       ASN  79  -7.181   1.686  -3.896
  585    HA   ASN  79           HA       ASN  79  -9.431   3.287  -3.252
  586    HB2  ASN  79           HB2      ASN  79  -7.804   3.016  -5.779
  587    HB3  ASN  79           HB1      ASN  79  -9.272   3.972  -5.786
  588   HD21  ASN  79          HD21      ASN  79  -7.058   3.804  -3.045
  589   HD22  ASN  79          HD22      ASN  79  -6.525   5.444  -3.161
  590    H    GLY  80           HN       GLY  80  -9.014   0.607  -5.453
  591    HA2  GLY  80           HA2      GLY  80 -11.641   0.599  -6.517
  592    HA3  GLY  80           HA1      GLY  80 -10.526  -0.762  -6.516
  593    H    ALA  81           HN       ALA  81 -10.160  -1.079  -3.792
  594    HA   ALA  81           HA       ALA  81 -12.376  -2.606  -3.008
  595    HB1  ALA  81           HB1      ALA  81 -11.237  -2.825  -0.858
  596    HB2  ALA  81           HB2      ALA  81 -10.154  -1.499  -1.288
  597    HB3  ALA  81           HB3      ALA  81 -10.099  -3.011  -2.194
  598    H    LEU  82           HN       LEU  82 -11.379   0.662  -2.204
  599    HA   LEU  82           HA       LEU  82 -13.353   1.199  -0.255
  600    HB2  LEU  82           HB2      LEU  82 -11.893   3.084  -2.096
  601    HB3  LEU  82           HB1      LEU  82 -12.867   3.580  -0.726
  602    HG   LEU  82           HG       LEU  82 -10.373   1.907  -0.582
  603   HD11  LEU  82          HD11      LEU  82  -9.896   4.194  -1.214
  604   HD12  LEU  82          HD12      LEU  82  -9.366   3.867   0.435
  605   HD13  LEU  82          HD13      LEU  82 -10.848   4.780   0.149
  606   HD21  LEU  82          HD21      LEU  82 -11.948   1.366   1.166
  607   HD22  LEU  82          HD22      LEU  82 -12.109   3.077   1.567
  608   HD23  LEU  82          HD23      LEU  82 -10.569   2.250   1.819
  609    H    ALA  83           HN       ALA  83 -13.280   1.554  -3.731
  610    HA   ALA  83           HA       ALA  83 -15.742   2.899  -3.990
  611    HB1  ALA  83           HB1      ALA  83 -14.304   1.137  -5.966
  612    HB2  ALA  83           HB2      ALA  83 -14.050   2.868  -5.743
  613    HB3  ALA  83           HB3      ALA  83 -15.595   2.274  -6.349
  614    H    GLU  84           HN       GLU  84 -14.865  -0.419  -3.616
  615    HA   GLU  84           HA       GLU  84 -17.525  -1.414  -4.182
  616    HB2  GLU  84           HB2      GLU  84 -14.914  -2.681  -3.465
  617    HB3  GLU  84           HB1      GLU  84 -16.408  -3.599  -3.382
  618    HG2  GLU  84           HG2      GLU  84 -15.406  -2.183  -5.831
  619    HG3  GLU  84           HG1      GLU  84 -15.184  -3.902  -5.486
  620    H    ALA  85           HN       ALA  85 -16.104   0.045  -1.620
  621    HA   ALA  85           HA       ALA  85 -17.351  -1.603   0.414
  622    HB1  ALA  85           HB1      ALA  85 -16.279  -0.088   2.012
  623    HB2  ALA  85           HB2      ALA  85 -15.716   0.922   0.681
  624    HB3  ALA  85           HB3      ALA  85 -15.107  -0.723   0.858
  625    H    ALA  86           HN       ALA  86 -19.025  -0.922   1.646
  626    HA   ALA  86           HA       ALA  86 -20.520   1.346   0.542
  627    HB1  ALA  86           HB1      ALA  86 -21.497  -1.039   2.120
  628    HB2  ALA  86           HB2      ALA  86 -21.674  -0.808   0.381
  629    HB3  ALA  86           HB3      ALA  86 -22.508   0.268   1.503
  630    H28  SXD  87          H28B      SXD  87   3.436 -11.847   0.326
  631   H28A  SXD  87          H28A      SXD  87   4.286 -11.896   1.862
  632    H30  SXD  87          H30A      SXD  87   1.395 -12.305   1.072
  633   H30A  SXD  87          H30C      SXD  87   1.013 -13.608   2.188
  634   H30B  SXD  87          H30B      SXD  87   1.960 -12.223   2.741
  635    H31  SXD  87          H31A      SXD  87   3.656 -15.003  -0.004
  636   H31A  SXD  87          H31C      SXD  87   2.077 -15.347   0.705
  637   H31B  SXD  87          H31B      SXD  87   2.253 -14.031  -0.457
  638    H32  SXD  87          H32A      SXD  87   3.927 -13.705   3.528
  639   HO33  SXD  87          H33A      SXD  87   4.884 -15.902   2.646
  640   HN36  SXD  87          H36A      SXD  87   1.313 -14.354   3.571
  641    H37  SXD  87          H37B      SXD  87   0.882 -16.389   5.259
  642   H37A  SXD  87          H37A      SXD  87   0.855 -17.191   3.684
  643    H38  SXD  87          H38A      SXD  87  -0.927 -15.637   2.935
  644   H38A  SXD  87          H38B      SXD  87  -1.372 -16.720   4.223
  645   HN41  SXD  87          H41A      SXD  87   0.301 -14.851   6.089
  646    H42  SXD  87          H42B      SXD  87  -1.898 -13.164   6.922
  647   H42A  SXD  87          H42A      SXD  87  -0.383 -12.382   6.405
  648    H43  SXD  87          H43B      SXD  87  -0.132 -12.678   8.743
  649   H43A  SXD  87          H43A      SXD  87  -0.729 -14.353   8.607
  650    H1   SXD  87           H1A      SXD  87   1.300 -15.290   9.971
  651    H1A  SXD  87           H1B      SXD  87   1.935 -13.638  10.121
  652    H2   SXD  87           H2A      SXD  87   3.379 -16.054   9.038
  653    H2A  SXD  87           H2B      SXD  87   3.539 -15.463  10.693
  654    H4   SXD  87           H4B      SXD  87   4.676 -12.125   9.403
  655    H4A  SXD  87           H4A      SXD  87   3.915 -12.939  10.772
  656    H6   SXD  87           H6C      SXD  87   7.387 -13.757   9.369
  657    H6A  SXD  87           H6A      SXD  87   8.156 -12.885  10.702
  658    H6B  SXD  87           H6B      SXD  87   7.317 -11.990   9.428
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -19.532   5.430   1.307
    2    H2   MET   1           HT2      MET   1 -20.376   6.779   1.815
    3    H3   MET   1           HT3      MET   1 -18.719   6.615   2.171
    4    HA   MET   1           HA       MET   1 -19.831   6.960  -0.542
    5    HB2  MET   1           HB2      MET   1 -18.034   8.763   1.096
    6    HB3  MET   1           HB1      MET   1 -18.643   9.082  -0.519
    7    HG2  MET   1           HG2      MET   1 -20.919   9.200   0.379
    8    HG3  MET   1           HG1      MET   1 -20.278   8.908   1.995
    9    HE1  MET   1           HE1      MET   1 -18.534  10.574   3.201
   10    HE2  MET   1           HE2      MET   1 -18.005  12.098   2.493
   11    HE3  MET   1           HE3      MET   1 -17.506  10.569   1.768
   12    H    ALA   2           HN       ALA   2 -18.219   6.894  -2.161
   13    HA   ALA   2           HA       ALA   2 -15.991   5.196  -1.545
   14    HB1  ALA   2           HB1      ALA   2 -17.172   4.929  -3.681
   15    HB2  ALA   2           HB2      ALA   2 -15.479   5.357  -3.952
   16    HB3  ALA   2           HB3      ALA   2 -16.732   6.577  -4.134
   17    H    THR   3           HN       THR   3 -14.731   6.365  -0.173
   18    HA   THR   3           HA       THR   3 -13.560   8.819  -1.200
   19    HB   THR   3           HB       THR   3 -14.304   9.019   1.083
   20    HG1  THR   3           HG1      THR   3 -11.513   8.667   1.391
   21   HG21  THR   3          HG21      THR   3 -12.638   6.585   1.778
   22   HG22  THR   3          HG22      THR   3 -14.400   6.663   1.750
   23   HG23  THR   3          HG23      THR   3 -13.498   7.597   2.941
   24    H    LEU   4           HN       LEU   4 -11.964   8.445  -2.531
   25    HA   LEU   4           HA       LEU   4 -10.449   5.999  -2.423
   26    HB2  LEU   4           HB2      LEU   4 -10.199   8.375  -4.271
   27    HB3  LEU   4           HB1      LEU   4  -9.483   6.792  -4.508
   28    HG   LEU   4           HG       LEU   4 -12.433   7.429  -4.553
   29   HD11  LEU   4          HD11      LEU   4 -12.319   6.848  -6.899
   30   HD12  LEU   4          HD12      LEU   4 -10.573   6.629  -6.773
   31   HD13  LEU   4          HD13      LEU   4 -11.285   8.229  -6.525
   32   HD21  LEU   4          HD21      LEU   4 -12.054   5.209  -3.640
   33   HD22  LEU   4          HD22      LEU   4 -11.013   4.806  -5.005
   34   HD23  LEU   4          HD23      LEU   4 -12.733   5.095  -5.264
   35    H    LEU   5           HN       LEU   5  -8.190   5.951  -2.166
   36    HA   LEU   5           HA       LEU   5  -7.247   7.738  -0.139
   37    HB2  LEU   5           HB2      LEU   5  -5.886   5.502  -1.599
   38    HB3  LEU   5           HB1      LEU   5  -5.113   6.455  -0.353
   39    HG   LEU   5           HG       LEU   5  -7.503   4.665  -0.010
   40   HD11  LEU   5          HD11      LEU   5  -4.637   4.434   0.890
   41   HD12  LEU   5          HD12      LEU   5  -5.407   3.483  -0.378
   42   HD13  LEU   5          HD13      LEU   5  -5.940   3.317   1.294
   43   HD21  LEU   5          HD21      LEU   5  -5.941   6.285   1.993
   44   HD22  LEU   5          HD22      LEU   5  -7.219   5.129   2.368
   45   HD23  LEU   5          HD23      LEU   5  -7.593   6.600   1.468
   46    H    THR   6           HN       THR   6  -5.686   9.198  -0.217
   47    HA   THR   6           HA       THR   6  -4.937  10.110  -2.840
   48    HB   THR   6           HB       THR   6  -4.076  12.099  -1.507
   49    HG1  THR   6           HG1      THR   6  -4.263  12.080   0.561
   50   HG21  THR   6          HG21      THR   6  -6.323  13.035  -1.159
   51   HG22  THR   6          HG22      THR   6  -7.018  11.416  -1.273
   52   HG23  THR   6          HG23      THR   6  -6.240  12.144  -2.679
   53    H    THR   7           HN       THR   7  -2.582  10.918  -3.042
   54    HA   THR   7           HA       THR   7  -0.881   8.751  -2.646
   55    HB   THR   7           HB       THR   7  -0.134  11.609  -3.323
   56    HG1  THR   7           HG1      THR   7  -0.561  10.871  -5.519
   57   HG21  THR   7          HG21      THR   7   1.740  10.057  -2.942
   58   HG22  THR   7          HG22      THR   7   1.624  10.522  -4.644
   59   HG23  THR   7          HG23      THR   7   1.039   8.939  -4.114
   60    H    ASP   8           HN       ASP   8  -1.499  11.634  -0.797
   61    HA   ASP   8           HA       ASP   8   0.788  11.612   0.825
   62    HB2  ASP   8           HB2      ASP   8  -0.533  13.034   2.404
   63    HB3  ASP   8           HB1      ASP   8  -0.482  13.646   0.759
   64    H    ASP   9           HN       ASP   9  -2.346  10.013   1.204
   65    HA   ASP   9           HA       ASP   9  -1.513   9.054   3.792
   66    HB2  ASP   9           HB2      ASP   9  -3.951   9.497   3.181
   67    HB3  ASP   9           HB1      ASP   9  -3.869   7.998   2.249
   68    H    LEU  10           HN       LEU  10  -1.603   7.933   0.538
   69    HA   LEU  10           HA       LEU  10  -1.021   5.225   0.911
   70    HB2  LEU  10           HB2      LEU  10  -1.615   6.213  -1.266
   71    HB3  LEU  10           HB1      LEU  10  -0.088   7.067  -1.296
   72    HG   LEU  10           HG       LEU  10   1.071   4.847  -1.314
   73   HD11  LEU  10          HD11      LEU  10  -0.677   3.492  -0.355
   74   HD12  LEU  10          HD12      LEU  10  -0.207   2.872  -1.939
   75   HD13  LEU  10          HD13      LEU  10  -1.703   3.786  -1.757
   76   HD21  LEU  10          HD21      LEU  10  -0.832   5.399  -3.587
   77   HD22  LEU  10          HD22      LEU  10   0.616   4.398  -3.680
   78   HD23  LEU  10          HD23      LEU  10   0.758   6.129  -3.359
   79    H    ARG  11           HN       ARG  11   1.126   8.059   0.670
   80    HA   ARG  11           HA       ARG  11   3.575   6.735   0.893
   81    HB2  ARG  11           HB2      ARG  11   3.451   9.144   0.368
   82    HB3  ARG  11           HB1      ARG  11   2.869   9.478   1.997
   83    HG2  ARG  11           HG2      ARG  11   4.987   8.654   2.923
   84    HG3  ARG  11           HG1      ARG  11   5.568   8.322   1.296
   85    HD2  ARG  11           HD2      ARG  11   6.513  10.395   2.106
   86    HD3  ARG  11           HD1      ARG  11   5.409  10.723   0.776
   87    HE   ARG  11           HE       ARG  11   3.809  11.092   2.858
   88   HH11  ARG  11          HH11      ARG  11   7.192  12.178   2.665
   89   HH12  ARG  11          HH12      ARG  11   6.854  13.690   3.364
   90   HH21  ARG  11          HH21      ARG  11   3.392  13.118   3.808
   91   HH22  ARG  11          HH22      ARG  11   4.623  14.229   4.100
   92    H    ARG  12           HN       ARG  12   1.449   8.010   3.368
   93    HA   ARG  12           HA       ARG  12   2.925   7.459   5.672
   94    HB2  ARG  12           HB2      ARG  12  -0.068   7.210   5.352
   95    HB3  ARG  12           HB1      ARG  12   0.781   7.349   6.882
   96    HG2  ARG  12           HG2      ARG  12   1.499   9.556   6.361
   97    HG3  ARG  12           HG1      ARG  12   0.887   9.415   4.714
   98    HD2  ARG  12           HD2      ARG  12  -1.393   9.133   5.672
   99    HD3  ARG  12           HD1      ARG  12  -0.706   9.475   7.257
  100    HE   ARG  12           HE       ARG  12   0.109  11.599   6.089
  101   HH11  ARG  12          HH11      ARG  12  -3.018   9.975   5.532
  102   HH12  ARG  12          HH12      ARG  12  -3.815  11.377   5.023
  103   HH21  ARG  12          HH21      ARG  12  -1.039  13.585   5.434
  104   HH22  ARG  12          HH22      ARG  12  -2.687  13.473   5.015
  105    H    ALA  13           HN       ALA  13   0.643   5.351   3.983
  106    HA   ALA  13           HA       ALA  13   0.671   3.178   5.716
  107    HB1  ALA  13           HB1      ALA  13   0.365   3.123   2.724
  108    HB2  ALA  13           HB2      ALA  13  -0.920   3.451   3.887
  109    HB3  ALA  13           HB3      ALA  13  -0.144   1.866   3.850
  110    H    LEU  14           HN       LEU  14   2.670   3.610   2.772
  111    HA   LEU  14           HA       LEU  14   4.168   1.300   3.153
  112    HB2  LEU  14           HB2      LEU  14   4.676   3.801   1.582
  113    HB3  LEU  14           HB1      LEU  14   5.901   2.560   1.704
  114    HG   LEU  14           HG       LEU  14   4.222   0.955   0.767
  115   HD11  LEU  14          HD11      LEU  14   2.659   3.422   0.101
  116   HD12  LEU  14          HD12      LEU  14   2.177   2.113   1.184
  117   HD13  LEU  14          HD13      LEU  14   2.371   1.801  -0.539
  118   HD21  LEU  14          HD21      LEU  14   4.553   1.713  -1.557
  119   HD22  LEU  14          HD22      LEU  14   6.019   1.803  -0.576
  120   HD23  LEU  14          HD23      LEU  14   5.105   3.267  -0.936
  121    H    VAL  15           HN       VAL  15   4.856   4.623   4.153
  122    HA   VAL  15           HA       VAL  15   7.405   4.173   5.203
  123    HB   VAL  15           HB       VAL  15   5.321   6.222   6.059
  124   HG11  VAL  15          HG11      VAL  15   8.293   6.174   6.615
  125   HG12  VAL  15          HG12      VAL  15   7.020   5.939   7.813
  126   HG13  VAL  15          HG13      VAL  15   7.193   7.495   7.000
  127   HG21  VAL  15          HG21      VAL  15   5.976   6.391   3.728
  128   HG22  VAL  15          HG22      VAL  15   7.677   6.421   4.196
  129   HG23  VAL  15          HG23      VAL  15   6.613   7.750   4.655
  130    H    GLU  16           HN       GLU  16   4.247   3.856   6.718
  131    HA   GLU  16           HA       GLU  16   4.988   3.259   9.338
  132    HB2  GLU  16           HB2      GLU  16   2.663   2.240   7.719
  133    HB3  GLU  16           HB1      GLU  16   2.841   1.979   9.444
  134    HG2  GLU  16           HG2      GLU  16   2.674   4.667   8.116
  135    HG3  GLU  16           HG1      GLU  16   1.322   3.820   8.869
  136    H    SER  17           HN       SER  17   5.165   1.219   6.492
  137    HA   SER  17           HA       SER  17   5.609  -1.123   8.174
  138    HB2  SER  17           HB2      SER  17   3.953  -1.220   6.279
  139    HB3  SER  17           HB1      SER  17   5.291  -0.999   5.159
  140    HG   SER  17           HG       SER  17   5.503  -3.044   7.041
  141    H    ALA  18           HN       ALA  18   7.433   1.279   6.906
  142    HA   ALA  18           HA       ALA  18   9.725  -0.518   6.446
  143    HB1  ALA  18           HB1      ALA  18   9.279   2.219   5.258
  144    HB2  ALA  18           HB2      ALA  18   9.076   0.688   4.414
  145    HB3  ALA  18           HB3      ALA  18  10.675   1.181   4.972
  146    H    GLY  19           HN       GLY  19   9.122   2.881   7.281
  147    HA2  GLY  19           HA2      GLY  19   9.949   3.118   9.771
  148    HA3  GLY  19           HA1      GLY  19  11.485   2.985   8.906
  149    H    GLU  20           HN       GLU  20  10.659   5.312  10.265
  150    HA   GLU  20           HA       GLU  20   9.521   7.197   8.443
  151    HB2  GLU  20           HB2      GLU  20  11.131   7.635  10.964
  152    HB3  GLU  20           HB1      GLU  20  10.322   8.906  10.066
  153    HG2  GLU  20           HG2      GLU  20   8.981   6.572  11.400
  154    HG3  GLU  20           HG1      GLU  20   9.066   8.220  12.023
  155    H    THR  21           HN       THR  21  10.693   7.019   6.570
  156    HA   THR  21           HA       THR  21  12.282   7.470   5.045
  157    HB   THR  21           HB       THR  21  13.302   9.463   7.120
  158    HG1  THR  21           HG1      THR  21  11.565  10.078   4.956
  159   HG21  THR  21          HG21      THR  21  14.129  10.727   5.177
  160   HG22  THR  21          HG22      THR  21  13.539   9.463   4.097
  161   HG23  THR  21          HG23      THR  21  14.852   9.118   5.224
  162    H    ASP  22           HN       ASP  22  12.824   5.224   5.825
  163    HA   ASP  22           HA       ASP  22  15.425   4.968   7.207
  164    HB2  ASP  22           HB2      ASP  22  13.481   3.593   7.991
  165    HB3  ASP  22           HB1      ASP  22  13.352   2.884   6.393
  166    H    GLY  23           HN       GLY  23  15.207   6.073   4.602
  167    HA2  GLY  23           HA2      GLY  23  16.561   5.848   2.678
  168    HA3  GLY  23           HA1      GLY  23  16.536   4.083   2.902
  169    H    THR  24           HN       THR  24  13.891   3.808   3.500
  170    HA   THR  24           HA       THR  24  12.611   3.900   0.998
  171    HB   THR  24           HB       THR  24  10.803   3.016   2.741
  172    HG1  THR  24           HG1      THR  24  12.648   1.865   4.247
  173   HG21  THR  24          HG21      THR  24  13.286   1.471   1.944
  174   HG22  THR  24          HG22      THR  24  11.859   1.695   0.934
  175   HG23  THR  24          HG23      THR  24  11.745   0.761   2.429
  176    H    ASP  25           HN       ASP  25  12.631   6.223   0.814
  177    HA   ASP  25           HA       ASP  25  10.560   7.507   2.440
  178    HB2  ASP  25           HB2      ASP  25  12.852   8.564   2.553
  179    HB3  ASP  25           HB1      ASP  25  12.703   8.900   0.828
  180    H    LEU  26           HN       LEU  26   8.827   8.182   1.392
  181    HA   LEU  26           HA       LEU  26   8.799   7.672  -1.503
  182    HB2  LEU  26           HB2      LEU  26   6.667   7.077   0.555
  183    HB3  LEU  26           HB1      LEU  26   6.418   6.974  -1.171
  184    HG   LEU  26           HG       LEU  26   6.664   4.790  -0.417
  185   HD11  LEU  26          HD11      LEU  26   7.808   5.139  -2.464
  186   HD12  LEU  26          HD12      LEU  26   8.676   3.937  -1.508
  187   HD13  LEU  26          HD13      LEU  26   9.286   5.588  -1.616
  188   HD21  LEU  26          HD21      LEU  26   7.645   5.144   1.794
  189   HD22  LEU  26          HD22      LEU  26   9.197   5.551   1.061
  190   HD23  LEU  26          HD23      LEU  26   8.560   3.922   0.914
  191    H    SER  27           HN       SER  27   9.267  10.225  -0.192
  192    HA   SER  27           HA       SER  27   6.890  11.732  -0.185
  193    HB2  SER  27           HB2      SER  27   8.469  13.723  -0.336
  194    HB3  SER  27           HB1      SER  27   8.702  12.637   1.033
  195    HG   SER  27           HG       SER  27  10.493  11.863   0.178
  196    H    GLY  28           HN       GLY  28   5.634  12.269  -1.751
  197    HA2  GLY  28           HA2      GLY  28   5.313  13.624  -3.702
  198    HA3  GLY  28           HA1      GLY  28   6.790  12.933  -4.362
  199    H    ASP  29           HN       ASP  29   5.862  12.219  -6.164
  200    HA   ASP  29           HA       ASP  29   3.707  10.256  -6.017
  201    HB2  ASP  29           HB2      ASP  29   3.332  11.861  -7.721
  202    HB3  ASP  29           HB1      ASP  29   4.994  11.765  -8.283
  203    H    PHE  30           HN       PHE  30   4.246   8.261  -5.753
  204    HA   PHE  30           HA       PHE  30   6.833   7.297  -6.778
  205    HB2  PHE  30           HB2      PHE  30   7.080   5.978  -4.703
  206    HB3  PHE  30           HB1      PHE  30   7.046   7.709  -4.403
  207    HD1  PHE  30           HD2      PHE  30   4.957   8.732  -3.457
  208    HD2  PHE  30           HD1      PHE  30   5.507   4.527  -3.710
  209    HE1  PHE  30           HE2      PHE  30   3.185   8.406  -1.794
  210    HE2  PHE  30           HE1      PHE  30   3.732   4.197  -2.046
  211    HZ   PHE  30           HZ       PHE  30   2.572   6.139  -1.088
  212    H    LEU  31           HN       LEU  31   4.036   6.999  -7.802
  213    HA   LEU  31           HA       LEU  31   3.278   4.309  -7.192
  214    HB2  LEU  31           HB2      LEU  31   2.226   6.314  -9.150
  215    HB3  LEU  31           HB1      LEU  31   1.686   4.655  -9.202
  216    HG   LEU  31           HG       LEU  31   0.864   4.899  -6.861
  217   HD11  LEU  31          HD11      LEU  31   0.564   7.124  -5.911
  218   HD12  LEU  31          HD12      LEU  31   1.499   7.819  -7.235
  219   HD13  LEU  31          HD13      LEU  31   2.271   6.718  -6.092
  220   HD21  LEU  31          HD21      LEU  31  -0.250   6.827  -8.882
  221   HD22  LEU  31          HD22      LEU  31  -1.101   6.229  -7.459
  222   HD23  LEU  31          HD23      LEU  31  -0.636   5.112  -8.742
  223    H    ASP  32           HN       ASP  32   5.399   5.685  -9.525
  224    HA   ASP  32           HA       ASP  32   5.139   3.463 -11.386
  225    HB2  ASP  32           HB2      ASP  32   5.515   5.798 -12.178
  226    HB3  ASP  32           HB1      ASP  32   7.114   5.752 -11.446
  227    H    LEU  33           HN       LEU  33   6.551   3.745  -8.563
  228    HA   LEU  33           HA       LEU  33   9.109   2.528  -9.081
  229    HB2  LEU  33           HB2      LEU  33   7.542   2.832  -6.548
  230    HB3  LEU  33           HB1      LEU  33   9.225   2.328  -6.629
  231    HG   LEU  33           HG       LEU  33   8.070   5.041  -7.257
  232   HD11  LEU  33          HD11      LEU  33   8.334   4.580  -4.900
  233   HD12  LEU  33          HD12      LEU  33   9.504   5.789  -5.426
  234   HD13  LEU  33          HD13      LEU  33  10.019   4.123  -5.156
  235   HD21  LEU  33          HD21      LEU  33   9.842   4.537  -8.872
  236   HD22  LEU  33          HD22      LEU  33  10.934   4.121  -7.550
  237   HD23  LEU  33          HD23      LEU  33  10.361   5.778  -7.731
  238    H    ARG  34           HN       ARG  34   9.562   0.446  -7.844
  239    HA   ARG  34           HA       ARG  34   7.241  -1.316  -7.790
  240    HB2  ARG  34           HB2      ARG  34   9.940  -1.906  -8.997
  241    HB3  ARG  34           HB1      ARG  34   8.829  -3.180  -8.511
  242    HG2  ARG  34           HG2      ARG  34   7.145  -2.284 -10.043
  243    HG3  ARG  34           HG1      ARG  34   8.280  -1.029 -10.542
  244    HD2  ARG  34           HD2      ARG  34   9.776  -2.674 -11.425
  245    HD3  ARG  34           HD1      ARG  34   8.785  -3.978 -10.776
  246    HE   ARG  34           HE       ARG  34   7.017  -3.016 -12.306
  247   HH11  ARG  34          HH11      ARG  34  10.476  -2.921 -13.050
  248   HH12  ARG  34          HH12      ARG  34  10.260  -3.128 -14.729
  249   HH21  ARG  34          HH21      ARG  34   6.721  -3.315 -14.611
  250   HH22  ARG  34          HH22      ARG  34   8.110  -3.356 -15.630
  251    H    PHE  35           HN       PHE  35   7.311  -2.949  -6.267
  252    HA   PHE  35           HA       PHE  35   8.484  -2.042  -3.871
  253    HB2  PHE  35           HB2      PHE  35   6.973  -4.567  -4.482
  254    HB3  PHE  35           HB1      PHE  35   7.535  -4.137  -2.868
  255    HD1  PHE  35           HD1      PHE  35   6.928  -1.548  -2.285
  256    HD2  PHE  35           HD2      PHE  35   4.786  -4.116  -4.900
  257    HE1  PHE  35           HE1      PHE  35   4.904  -0.210  -1.939
  258    HE2  PHE  35           HE2      PHE  35   2.758  -2.777  -4.564
  259    HZ   PHE  35           HZ       PHE  35   2.847  -0.776  -3.060
  260    H    GLU  36           HN       GLU  36   9.493  -4.399  -6.170
  261    HA   GLU  36           HA       GLU  36  11.381  -5.758  -4.578
  262    HB2  GLU  36           HB2      GLU  36  10.532  -6.428  -6.863
  263    HB3  GLU  36           HB1      GLU  36  11.579  -5.189  -7.540
  264    HG2  GLU  36           HG2      GLU  36  12.616  -7.356  -7.711
  265    HG3  GLU  36           HG1      GLU  36  13.523  -6.336  -6.592
  266    H    ASP  37           HN       ASP  37  11.432  -2.771  -6.342
  267    HA   ASP  37           HA       ASP  37  14.240  -2.229  -6.227
  268    HB2  ASP  37           HB2      ASP  37  12.732  -1.213  -7.903
  269    HB3  ASP  37           HB1      ASP  37  11.892  -0.360  -6.619
  270    H    ILE  38           HN       ILE  38  11.396  -1.105  -4.458
  271    HA   ILE  38           HA       ILE  38  13.096   0.384  -2.679
  272    HB   ILE  38           HB       ILE  38  11.014   1.236  -1.613
  273   HG12  ILE  38          HG12      ILE  38   9.654  -0.315  -3.840
  274   HG13  ILE  38          HG11      ILE  38   9.542  -0.678  -2.123
  275   HG21  ILE  38          HG21      ILE  38  10.384   2.649  -3.532
  276   HG22  ILE  38          HG22      ILE  38  11.256   1.548  -4.602
  277   HG23  ILE  38          HG23      ILE  38  12.133   2.465  -3.376
  278   HD11  ILE  38          HD11      ILE  38   7.547   0.452  -2.920
  279   HD12  ILE  38          HD12      ILE  38   8.523   1.816  -3.471
  280   HD13  ILE  38          HD13      ILE  38   8.407   1.452  -1.748
  281    H    GLY  39           HN       GLY  39  12.505  -2.696  -2.674
  282    HA2  GLY  39           HA2      GLY  39  13.109  -4.244  -1.088
  283    HA3  GLY  39           HA1      GLY  39  13.435  -2.918   0.011
  284    H    TYR  40           HN       TYR  40  10.486  -4.044  -1.570
  285    HA   TYR  40           HA       TYR  40   9.292  -4.377   1.100
  286    HB2  TYR  40           HB2      TYR  40   8.195  -3.163  -1.389
  287    HB3  TYR  40           HB1      TYR  40   7.113  -3.962  -0.270
  288    HD1  TYR  40           HD1      TYR  40   9.781  -1.360  -0.321
  289    HD2  TYR  40           HD2      TYR  40   6.130  -2.709   1.360
  290    HE1  TYR  40           HE1      TYR  40   9.595   0.740   0.921
  291    HE2  TYR  40           HE2      TYR  40   5.901  -0.661   2.608
  292    HH   TYR  40           HH       TYR  40   7.311   1.227   3.410
  293    H    ASP  41           HN       ASP  41   8.786  -6.435   1.472
  294    HA   ASP  41           HA       ASP  41   8.201  -8.106  -0.830
  295    HB2  ASP  41           HB2      ASP  41   8.711  -8.817   2.060
  296    HB3  ASP  41           HB1      ASP  41   7.989  -9.963   0.944
  297    H    SER  42           HN       SER  42   6.385  -9.586  -0.579
  298    HA   SER  42           HA       SER  42   4.077  -8.114  -0.577
  299    HB2  SER  42           HB2      SER  42   3.307 -10.698  -0.411
  300    HB3  SER  42           HB1      SER  42   3.776  -9.859  -1.894
  301    H    LEU  43           HN       LEU  43   5.392 -10.127   1.992
  302    HA   LEU  43           HA       LEU  43   3.081 -10.133   3.582
  303    HB2  LEU  43           HB2      LEU  43   5.122 -11.595   3.832
  304    HB3  LEU  43           HB1      LEU  43   5.920 -10.227   4.580
  305    HG   LEU  43           HG       LEU  43   4.208 -10.249   6.370
  306   HD11  LEU  43          HD11      LEU  43   2.391 -11.277   5.118
  307   HD12  LEU  43          HD12      LEU  43   2.746 -12.202   6.576
  308   HD13  LEU  43          HD13      LEU  43   3.303 -12.783   5.007
  309   HD21  LEU  43          HD21      LEU  43   5.671 -12.854   5.948
  310   HD22  LEU  43          HD22      LEU  43   5.045 -12.256   7.484
  311   HD23  LEU  43          HD23      LEU  43   6.346 -11.391   6.666
  312    H    ALA  44           HN       ALA  44   5.726  -7.826   3.316
  313    HA   ALA  44           HA       ALA  44   4.852  -6.143   5.449
  314    HB1  ALA  44           HB1      ALA  44   6.584  -5.472   3.062
  315    HB2  ALA  44           HB2      ALA  44   7.163  -6.065   4.617
  316    HB3  ALA  44           HB3      ALA  44   6.392  -4.482   4.508
  317    H    LEU  45           HN       LEU  45   4.181  -6.447   2.077
  318    HA   LEU  45           HA       LEU  45   2.738  -4.050   1.790
  319    HB2  LEU  45           HB2      LEU  45   2.525  -6.637   0.251
  320    HB3  LEU  45           HB1      LEU  45   1.725  -5.145  -0.215
  321    HG   LEU  45           HG       LEU  45   4.705  -5.537  -0.006
  322   HD11  LEU  45          HD11      LEU  45   2.920  -5.179  -2.395
  323   HD12  LEU  45          HD12      LEU  45   3.676  -6.700  -1.938
  324   HD13  LEU  45          HD13      LEU  45   4.671  -5.320  -2.421
  325   HD21  LEU  45          HD21      LEU  45   4.016  -3.298   0.582
  326   HD22  LEU  45          HD22      LEU  45   3.022  -3.222  -0.875
  327   HD23  LEU  45          HD23      LEU  45   4.781  -3.302  -1.015
  328    H    MET  46           HN       MET  46   1.910  -7.277   2.821
  329    HA   MET  46           HA       MET  46  -0.889  -7.084   3.081
  330    HB2  MET  46           HB2      MET  46   0.973  -8.422   5.041
  331    HB3  MET  46           HB1      MET  46  -0.734  -8.756   4.822
  332    HG2  MET  46           HG2      MET  46   1.443  -9.265   2.852
  333    HG3  MET  46           HG1      MET  46   0.709 -10.436   3.943
  334    HE1  MET  46           HE1      MET  46  -3.010 -10.421   2.500
  335    HE2  MET  46           HE2      MET  46  -2.364  -9.364   3.757
  336    HE3  MET  46           HE3      MET  46  -1.940 -11.076   3.741
  337    H    GLU  47           HN       GLU  47   1.699  -6.515   5.358
  338    HA   GLU  47           HA       GLU  47   0.333  -5.458   7.510
  339    HB2  GLU  47           HB2      GLU  47   3.006  -5.276   6.359
  340    HB3  GLU  47           HB1      GLU  47   2.698  -4.297   7.833
  341    HG2  GLU  47           HG2      GLU  47   2.103  -6.518   8.882
  342    HG3  GLU  47           HG1      GLU  47   2.628  -7.286   7.383
  343    H    THR  48           HN       THR  48   1.732  -3.792   4.731
  344    HA   THR  48           HA       THR  48   1.152  -1.132   5.357
  345    HB   THR  48           HB       THR  48   1.193  -2.501   2.646
  346    HG1  THR  48           HG1      THR  48   3.168  -2.623   4.052
  347   HG21  THR  48          HG21      THR  48   1.594   0.418   3.343
  348   HG22  THR  48          HG22      THR  48   0.174  -0.253   2.555
  349   HG23  THR  48          HG23      THR  48   1.734  -0.288   1.731
  350    H    ALA  49           HN       ALA  49  -0.756  -3.440   3.362
  351    HA   ALA  49           HA       ALA  49  -2.949  -1.749   2.977
  352    HB1  ALA  49           HB1      ALA  49  -2.451  -3.669   1.532
  353    HB2  ALA  49           HB2      ALA  49  -4.093  -3.746   2.173
  354    HB3  ALA  49           HB3      ALA  49  -2.829  -4.760   2.864
  355    H    ALA  50           HN       ALA  50  -2.204  -4.179   5.400
  356    HA   ALA  50           HA       ALA  50  -4.591  -4.611   6.676
  357    HB1  ALA  50           HB1      ALA  50  -2.493  -5.763   7.187
  358    HB2  ALA  50           HB2      ALA  50  -3.291  -5.156   8.644
  359    HB3  ALA  50           HB3      ALA  50  -1.906  -4.297   7.974
  360    H    ARG  51           HN       ARG  51  -2.282  -2.049   7.280
  361    HA   ARG  51           HA       ARG  51  -3.467  -0.765   9.448
  362    HB2  ARG  51           HB2      ARG  51  -1.227  -0.257   8.565
  363    HB3  ARG  51           HB1      ARG  51  -1.957   0.424   7.123
  364    HG2  ARG  51           HG2      ARG  51  -3.092   2.097   8.620
  365    HG3  ARG  51           HG1      ARG  51  -2.058   1.499   9.921
  366    HD2  ARG  51           HD2      ARG  51  -0.101   1.971   8.525
  367    HD3  ARG  51           HD1      ARG  51  -1.156   2.663   7.299
  368    HE   ARG  51           HE       ARG  51  -0.788   3.763  10.007
  369   HH11  ARG  51          HH11      ARG  51  -1.556   4.285   6.584
  370   HH12  ARG  51          HH12      ARG  51  -1.583   5.981   6.704
  371   HH21  ARG  51          HH21      ARG  51  -0.772   5.976  10.189
  372   HH22  ARG  51          HH22      ARG  51  -1.071   7.037   8.901
  373    H    LEU  52           HN       LEU  52  -3.824  -0.222   5.991
  374    HA   LEU  52           HA       LEU  52  -5.704   1.894   6.343
  375    HB2  LEU  52           HB2      LEU  52  -4.913   0.429   3.834
  376    HB3  LEU  52           HB1      LEU  52  -5.826   1.925   3.903
  377    HG   LEU  52           HG       LEU  52  -2.948   1.548   4.745
  378   HD11  LEU  52          HD11      LEU  52  -4.158   3.078   2.463
  379   HD12  LEU  52          HD12      LEU  52  -3.226   1.582   2.356
  380   HD13  LEU  52          HD13      LEU  52  -2.452   3.061   2.915
  381   HD21  LEU  52          HD21      LEU  52  -2.923   3.961   5.137
  382   HD22  LEU  52          HD22      LEU  52  -4.068   3.148   6.205
  383   HD23  LEU  52          HD23      LEU  52  -4.652   4.036   4.796
  384    H    GLU  53           HN       GLU  53  -5.912  -1.505   5.414
  385    HA   GLU  53           HA       GLU  53  -8.580  -1.650   4.702
  386    HB2  GLU  53           HB2      GLU  53  -6.792  -3.640   6.075
  387    HB3  GLU  53           HB1      GLU  53  -8.447  -4.037   5.620
  388    HG2  GLU  53           HG2      GLU  53  -7.806  -3.626   3.262
  389    HG3  GLU  53           HG1      GLU  53  -6.164  -3.290   3.815
  390    H    SER  54           HN       SER  54  -7.118  -2.164   7.884
  391    HA   SER  54           HA       SER  54  -9.552  -2.552   9.255
  392    HB2  SER  54           HB2      SER  54  -6.912  -1.602  10.387
  393    HB3  SER  54           HB1      SER  54  -8.208  -2.434  11.252
  394    HG   SER  54           HG       SER  54  -6.287  -3.416   9.501
  395    H    ARG  55           HN       ARG  55  -7.578   0.277   8.611
  396    HA   ARG  55           HA       ARG  55  -8.826   2.062  10.415
  397    HB2  ARG  55           HB2      ARG  55  -6.591   2.395   9.464
  398    HB3  ARG  55           HB1      ARG  55  -7.303   2.629   7.881
  399    HG2  ARG  55           HG2      ARG  55  -8.443   4.635   8.721
  400    HG3  ARG  55           HG1      ARG  55  -7.646   4.402  10.282
  401    HD2  ARG  55           HD2      ARG  55  -5.467   4.528   9.177
  402    HD3  ARG  55           HD1      ARG  55  -6.278   4.792   7.635
  403    HE   ARG  55           HE       ARG  55  -6.957   6.656   9.704
  404   HH11  ARG  55          HH11      ARG  55  -4.911   5.977   6.890
  405   HH12  ARG  55          HH12      ARG  55  -4.332   7.541   6.692
  406   HH21  ARG  55          HH21      ARG  55  -6.092   8.874   9.519
  407   HH22  ARG  55          HH22      ARG  55  -4.952   9.214   8.298
  408    H    TYR  56           HN       TYR  56  -9.231   1.613   6.896
  409    HA   TYR  56           HA       TYR  56 -11.430   3.483   6.925
  410    HB2  TYR  56           HB2      TYR  56 -10.137   1.983   4.645
  411    HB3  TYR  56           HB1      TYR  56 -11.447   3.146   4.458
  412    HD1  TYR  56           HD1      TYR  56  -7.892   2.721   5.242
  413    HD2  TYR  56           HD2      TYR  56 -11.051   5.522   4.760
  414    HE1  TYR  56           HE1      TYR  56  -6.252   4.547   5.100
  415    HE2  TYR  56           HE2      TYR  56  -9.452   7.335   4.613
  416    HH   TYR  56           HH       TYR  56  -7.203   7.895   5.143
  417    H    GLY  57           HN       GLY  57 -11.090   0.171   7.340
  418    HA2  GLY  57           HA2      GLY  57 -12.745  -1.325   7.884
  419    HA3  GLY  57           HA1      GLY  57 -13.944  -0.109   7.470
  420    H    VAL  58           HN       VAL  58 -11.396  -1.829   5.699
  421    HA   VAL  58           HA       VAL  58 -13.448  -2.833   3.880
  422    HB   VAL  58           HB       VAL  58 -12.023  -2.499   1.887
  423   HG11  VAL  58          HG11      VAL  58 -12.180  -0.093   1.652
  424   HG12  VAL  58          HG12      VAL  58 -12.343   0.054   3.399
  425   HG13  VAL  58          HG13      VAL  58 -13.623  -0.735   2.460
  426   HG21  VAL  58          HG21      VAL  58  -9.838  -2.569   3.009
  427   HG22  VAL  58          HG22      VAL  58 -10.168  -0.958   3.685
  428   HG23  VAL  58          HG23      VAL  58 -10.000  -1.169   1.946
  429    H    SER  59           HN       SER  59 -12.285  -4.605   2.372
  430    HA   SER  59           HA       SER  59 -10.272  -5.976   3.915
  431    HB2  SER  59           HB2      SER  59 -12.510  -6.749   4.773
  432    HB3  SER  59           HB1      SER  59 -12.863  -7.350   3.151
  433    HG   SER  59           HG       SER  59 -10.690  -8.111   4.797
  434    H    ILE  60           HN       ILE  60  -8.767  -6.498   2.572
  435    HA   ILE  60           HA       ILE  60  -9.346  -6.979  -0.266
  436    HB   ILE  60           HB       ILE  60  -6.818  -6.140   1.203
  437   HG12  ILE  60          HG12      ILE  60  -8.546  -4.620  -0.759
  438   HG13  ILE  60          HG11      ILE  60  -8.520  -4.382   0.984
  439   HG21  ILE  60          HG21      ILE  60  -7.194  -6.575  -1.758
  440   HG22  ILE  60          HG22      ILE  60  -6.216  -7.561  -0.674
  441   HG23  ILE  60          HG23      ILE  60  -5.760  -5.888  -0.995
  442   HD11  ILE  60          HD11      ILE  60  -7.245  -2.675  -0.163
  443   HD12  ILE  60          HD12      ILE  60  -6.231  -3.913  -0.905
  444   HD13  ILE  60          HD13      ILE  60  -6.193  -3.671   0.843
  445    HA   PRO  61           HA       PRO  61  -8.329 -11.301   0.464
  446    HB2  PRO  61           HB2      PRO  61  -7.166 -11.143  -2.260
  447    HB3  PRO  61           HB1      PRO  61  -8.361 -12.278  -1.632
  448    HG2  PRO  61           HG2      PRO  61  -9.119 -10.351  -3.255
  449    HG3  PRO  61           HG1      PRO  61 -10.101 -10.730  -1.828
  450    HD2  PRO  61           HD2      PRO  61  -8.164  -8.487  -2.251
  451    HD3  PRO  61           HD1      PRO  61  -9.776  -8.455  -1.503
  452    H    ASP  62           HN       ASP  62  -6.634 -12.371   1.179
  453    HA   ASP  62           HA       ASP  62  -4.114 -11.258   1.754
  454    HB2  ASP  62           HB2      ASP  62  -5.256 -13.194   2.893
  455    HB3  ASP  62           HB1      ASP  62  -4.908 -14.178   1.488
  456    H    ASP  63           HN       ASP  63  -5.305 -13.308  -0.777
  457    HA   ASP  63           HA       ASP  63  -2.968 -13.983  -2.166
  458    HB2  ASP  63           HB2      ASP  63  -5.069 -15.144  -2.477
  459    HB3  ASP  63           HB1      ASP  63  -5.810 -13.700  -3.141
  460    H    VAL  64           HN       VAL  64  -4.982 -11.135  -2.384
  461    HA   VAL  64           HA       VAL  64  -3.632 -10.337  -4.827
  462    HB   VAL  64           HB       VAL  64  -5.843  -8.845  -3.383
  463   HG11  VAL  64          HG11      VAL  64  -4.743  -8.543  -6.176
  464   HG12  VAL  64          HG12      VAL  64  -4.523  -7.411  -4.843
  465   HG13  VAL  64          HG13      VAL  64  -6.130  -7.671  -5.524
  466   HG21  VAL  64          HG21      VAL  64  -5.997 -10.719  -5.747
  467   HG22  VAL  64          HG22      VAL  64  -7.332  -9.765  -5.108
  468   HG23  VAL  64          HG23      VAL  64  -6.608 -11.039  -4.125
  469    H    ALA  65           HN       ALA  65  -3.932  -9.180  -1.490
  470    HA   ALA  65           HA       ALA  65  -2.505  -6.749  -1.724
  471    HB1  ALA  65           HB1      ALA  65  -2.576  -8.619   0.625
  472    HB2  ALA  65           HB2      ALA  65  -3.804  -7.393   0.273
  473    HB3  ALA  65           HB3      ALA  65  -2.140  -6.916   0.654
  474    H    GLY  66           HN       GLY  66  -1.341 -10.006  -1.017
  475    HA2  GLY  66           HA2      GLY  66   1.372  -9.009  -1.128
  476    HA3  GLY  66           HA1      GLY  66   0.886 -10.668  -0.742
  477    H    ARG  67           HN       ARG  67  -0.169  -8.805  -3.512
  478    HA   ARG  67           HA       ARG  67   1.755 -10.284  -5.107
  479    HB2  ARG  67           HB2      ARG  67  -0.626 -11.353  -4.849
  480    HB3  ARG  67           HB1      ARG  67  -1.052 -10.170  -6.076
  481    HG2  ARG  67           HG2      ARG  67  -0.541 -12.143  -7.234
  482    HG3  ARG  67           HG1      ARG  67   0.848 -11.051  -7.417
  483    HD2  ARG  67           HD2      ARG  67   0.699 -13.323  -5.422
  484    HD3  ARG  67           HD1      ARG  67   1.503 -13.424  -6.982
  485    HE   ARG  67           HE       ARG  67   2.296 -11.570  -4.844
  486   HH11  ARG  67          HH11      ARG  67   3.171 -14.119  -7.174
  487   HH12  ARG  67          HH12      ARG  67   4.845 -13.831  -7.091
  488   HH21  ARG  67          HH21      ARG  67   4.716 -11.177  -4.749
  489   HH22  ARG  67          HH22      ARG  67   5.721 -12.115  -5.724
  490    H    VAL  68           HN       VAL  68   0.980  -7.373  -4.287
  491    HA   VAL  68           HA       VAL  68   0.735  -6.272  -6.958
  492    HB   VAL  68           HB       VAL  68   0.702  -4.022  -5.824
  493   HG11  VAL  68          HG11      VAL  68  -1.380  -5.156  -6.330
  494   HG12  VAL  68          HG12      VAL  68  -1.521  -4.268  -4.816
  495   HG13  VAL  68          HG13      VAL  68  -1.309  -6.022  -4.793
  496   HG21  VAL  68          HG21      VAL  68   0.702  -5.657  -3.285
  497   HG22  VAL  68          HG22      VAL  68   0.425  -3.917  -3.387
  498   HG23  VAL  68          HG23      VAL  68   1.995  -4.588  -3.826
  499    H    ASP  69           HN       ASP  69   2.333  -5.231  -8.059
  500    HA   ASP  69           HA       ASP  69   5.046  -5.791  -7.068
  501    HB2  ASP  69           HB2      ASP  69   4.428  -6.850  -9.187
  502    HB3  ASP  69           HB1      ASP  69   3.970  -5.290  -9.851
  503    H    THR  70           HN       THR  70   2.946  -3.308  -8.215
  504    HA   THR  70           HA       THR  70   5.050  -1.290  -7.738
  505    HB   THR  70           HB       THR  70   3.755   0.139  -9.347
  506    HG1  THR  70           HG1      THR  70   2.347  -2.324  -9.702
  507   HG21  THR  70          HG21      THR  70   4.726  -2.508 -10.436
  508   HG22  THR  70          HG22      THR  70   5.728  -1.092 -10.117
  509   HG23  THR  70          HG23      THR  70   4.499  -1.038 -11.385
  510    HA   PRO  71           HA       PRO  71   2.460   0.492  -4.466
  511    HB2  PRO  71           HB2      PRO  71   3.418   3.093  -5.580
  512    HB3  PRO  71           HB1      PRO  71   3.467   2.504  -3.913
  513    HG2  PRO  71           HG2      PRO  71   5.675   2.553  -5.366
  514    HG3  PRO  71           HG1      PRO  71   5.335   1.176  -4.298
  515    HD2  PRO  71           HD2      PRO  71   5.061   1.387  -7.269
  516    HD3  PRO  71           HD1      PRO  71   5.648   0.034  -6.285
  517    H    ARG  72           HN       ARG  72   2.471   1.671  -7.719
  518    HA   ARG  72           HA       ARG  72   0.128   3.122  -7.964
  519    HB2  ARG  72           HB2      ARG  72   1.716   2.740  -9.799
  520    HB3  ARG  72           HB1      ARG  72   1.258   1.048  -9.859
  521    HG2  ARG  72           HG2      ARG  72  -0.994   1.703 -10.570
  522    HG3  ARG  72           HG1      ARG  72  -0.502   3.398 -10.527
  523    HD2  ARG  72           HD2      ARG  72   0.788   1.266 -12.233
  524    HD3  ARG  72           HD1      ARG  72  -0.420   2.413 -12.803
  525    HE   ARG  72           HE       ARG  72   1.174   4.180 -12.225
  526   HH11  ARG  72          HH11      ARG  72   2.480   0.898 -12.806
  527   HH12  ARG  72          HH12      ARG  72   4.001   1.451 -13.328
  528   HH21  ARG  72          HH21      ARG  72   3.268   4.912 -13.011
  529   HH22  ARG  72          HH22      ARG  72   4.461   3.787 -13.456
  530    H    GLU  73           HN       GLU  73   0.530  -0.409  -8.191
  531    HA   GLU  73           HA       GLU  73  -2.193  -1.067  -8.524
  532    HB2  GLU  73           HB2      GLU  73   0.077  -2.681  -7.424
  533    HB3  GLU  73           HB1      GLU  73  -1.500  -3.317  -7.850
  534    HG2  GLU  73           HG2      GLU  73  -1.150  -2.788 -10.140
  535    HG3  GLU  73           HG1      GLU  73   0.371  -1.973  -9.754
  536    H    LEU  74           HN       LEU  74  -0.109  -0.794  -5.718
  537    HA   LEU  74           HA       LEU  74  -1.870  -1.942  -3.844
  538    HB2  LEU  74           HB2      LEU  74   0.622  -1.494  -3.558
  539    HB3  LEU  74           HB1      LEU  74   0.224   0.184  -3.298
  540    HG   LEU  74           HG       LEU  74   0.772  -1.107  -1.232
  541   HD11  LEU  74          HD11      LEU  74  -2.010   0.030  -1.282
  542   HD12  LEU  74          HD12      LEU  74  -0.514   0.925  -1.013
  543   HD13  LEU  74          HD13      LEU  74  -1.049  -0.276   0.164
  544   HD21  LEU  74          HD21      LEU  74  -0.219  -3.238  -1.820
  545   HD22  LEU  74          HD22      LEU  74  -1.829  -2.520  -1.792
  546   HD23  LEU  74          HD23      LEU  74  -0.895  -2.645  -0.302
  547    H    LEU  75           HN       LEU  75  -1.371   1.417  -4.853
  548    HA   LEU  75           HA       LEU  75  -3.323   2.576  -3.191
  549    HB2  LEU  75           HB2      LEU  75  -1.628   3.888  -4.403
  550    HB3  LEU  75           HB1      LEU  75  -2.388   3.466  -5.924
  551    HG   LEU  75           HG       LEU  75  -4.416   4.702  -5.234
  552   HD11  LEU  75          HD11      LEU  75  -2.761   5.490  -2.844
  553   HD12  LEU  75          HD12      LEU  75  -4.217   4.489  -2.844
  554   HD13  LEU  75          HD13      LEU  75  -4.319   6.187  -3.298
  555   HD21  LEU  75          HD21      LEU  75  -3.476   6.946  -5.467
  556   HD22  LEU  75          HD22      LEU  75  -2.709   5.810  -6.578
  557   HD23  LEU  75          HD23      LEU  75  -1.871   6.308  -5.109
  558    H    ASP  76           HN       ASP  76  -3.452   1.541  -6.569
  559    HA   ASP  76           HA       ASP  76  -6.122   2.033  -7.140
  560    HB2  ASP  76           HB2      ASP  76  -4.554   1.438  -8.885
  561    HB3  ASP  76           HB1      ASP  76  -4.301  -0.151  -8.175
  562    H    LEU  77           HN       LEU  77  -4.658  -0.808  -5.716
  563    HA   LEU  77           HA       LEU  77  -6.888  -2.480  -5.623
  564    HB2  LEU  77           HB2      LEU  77  -4.626  -3.273  -5.305
  565    HB3  LEU  77           HB1      LEU  77  -4.469  -2.344  -3.834
  566    HG   LEU  77           HG       LEU  77  -6.135  -3.776  -2.748
  567   HD11  LEU  77          HD11      LEU  77  -6.101  -5.317  -5.338
  568   HD12  LEU  77          HD12      LEU  77  -7.454  -4.380  -4.704
  569   HD13  LEU  77          HD13      LEU  77  -6.898  -5.818  -3.847
  570   HD21  LEU  77          HD21      LEU  77  -4.744  -5.786  -2.628
  571   HD22  LEU  77          HD22      LEU  77  -3.766  -4.321  -2.587
  572   HD23  LEU  77          HD23      LEU  77  -3.872  -5.269  -4.071
  573    H    ILE  78           HN       ILE  78  -5.589  -0.333  -3.068
  574    HA   ILE  78           HA       ILE  78  -7.795  -0.972  -1.401
  575    HB   ILE  78           HB       ILE  78  -5.883   1.369  -1.057
  576   HG12  ILE  78          HG12      ILE  78  -5.816  -1.471  -0.005
  577   HG13  ILE  78          HG11      ILE  78  -4.669  -0.726  -1.106
  578   HG21  ILE  78          HG21      ILE  78  -6.603   1.301   1.300
  579   HG22  ILE  78          HG22      ILE  78  -7.749   0.012   0.917
  580   HG23  ILE  78          HG23      ILE  78  -7.966   1.622   0.229
  581   HD11  ILE  78          HD11      ILE  78  -3.949   0.775   0.683
  582   HD12  ILE  78          HD12      ILE  78  -3.756  -0.925   1.123
  583   HD13  ILE  78          HD13      ILE  78  -5.107   0.007   1.770
  584    H    ASN  79           HN       ASN  79  -7.168   1.562  -3.728
  585    HA   ASN  79           HA       ASN  79  -9.407   3.190  -3.103
  586    HB2  ASN  79           HB2      ASN  79  -7.891   2.780  -5.679
  587    HB3  ASN  79           HB1      ASN  79  -9.349   3.754  -5.649
  588   HD21  ASN  79          HD21      ASN  79  -6.982   3.674  -3.036
  589   HD22  ASN  79          HD22      ASN  79  -6.421   5.295  -3.321
  590    H    GLY  80           HN       GLY  80  -9.008   0.374  -5.096
  591    HA2  GLY  80           HA2      GLY  80 -11.591   0.267  -6.194
  592    HA3  GLY  80           HA1      GLY  80 -10.517  -1.111  -5.981
  593    H    ALA  81           HN       ALA  81 -10.260  -1.179  -3.264
  594    HA   ALA  81           HA       ALA  81 -12.635  -2.462  -2.440
  595    HB1  ALA  81           HB1      ALA  81 -10.425  -3.067  -1.562
  596    HB2  ALA  81           HB2      ALA  81 -11.550  -2.682  -0.261
  597    HB3  ALA  81           HB3      ALA  81 -10.323  -1.507  -0.743
  598    H    LEU  82           HN       LEU  82 -11.384   0.755  -1.938
  599    HA   LEU  82           HA       LEU  82 -13.357   1.595  -0.054
  600    HB2  LEU  82           HB2      LEU  82 -11.464   3.138  -1.814
  601    HB3  LEU  82           HB1      LEU  82 -12.515   3.890  -0.628
  602    HG   LEU  82           HG       LEU  82 -10.418   1.835   0.063
  603   HD11  LEU  82          HD11      LEU  82  -9.108   3.710   0.907
  604   HD12  LEU  82          HD12      LEU  82 -10.313   4.835   0.276
  605   HD13  LEU  82          HD13      LEU  82  -9.369   3.839  -0.833
  606   HD21  LEU  82          HD21      LEU  82 -10.785   2.648   2.338
  607   HD22  LEU  82          HD22      LEU  82 -12.260   1.982   1.639
  608   HD23  LEU  82          HD23      LEU  82 -12.046   3.730   1.748
  609    H    ALA  83           HN       ALA  83 -13.093   1.696  -3.540
  610    HA   ALA  83           HA       ALA  83 -15.391   3.293  -3.992
  611    HB1  ALA  83           HB1      ALA  83 -15.263   2.472  -6.299
  612    HB2  ALA  83           HB2      ALA  83 -14.097   1.244  -5.801
  613    HB3  ALA  83           HB3      ALA  83 -13.671   2.952  -5.710
  614    H    GLU  84           HN       GLU  84 -14.844  -0.098  -3.454
  615    HA   GLU  84           HA       GLU  84 -17.638  -0.734  -3.921
  616    HB2  GLU  84           HB2      GLU  84 -15.318  -2.478  -3.113
  617    HB3  GLU  84           HB1      GLU  84 -16.959  -3.063  -3.331
  618    HG2  GLU  84           HG2      GLU  84 -16.834  -2.222  -5.693
  619    HG3  GLU  84           HG1      GLU  84 -15.116  -1.925  -5.409
  620    H    ALA  85           HN       ALA  85 -16.181   0.740  -1.520
  621    HA   ALA  85           HA       ALA  85 -17.263  -0.772   0.702
  622    HB1  ALA  85           HB1      ALA  85 -15.875   1.912   0.647
  623    HB2  ALA  85           HB2      ALA  85 -15.102   0.359   0.963
  624    HB3  ALA  85           HB3      ALA  85 -16.296   0.998   2.095
  625    H    ALA  86           HN       ALA  86 -18.696   0.322   2.250
  626    HA   ALA  86           HA       ALA  86 -20.761   1.745   0.798
  627    HB1  ALA  86           HB1      ALA  86 -21.428  -0.165   2.185
  628    HB2  ALA  86           HB2      ALA  86 -22.121   1.330   2.809
  629    HB3  ALA  86           HB3      ALA  86 -20.719   0.612   3.602
  630    H28  SXD  87          H28B      SXD  87   3.617 -13.483   1.913
  631   H28A  SXD  87          H28A      SXD  87   4.030 -14.643   0.641
  632    H30  SXD  87          H30A      SXD  87   0.479 -15.211   1.598
  633   H30A  SXD  87          H30C      SXD  87   2.090 -15.924   1.573
  634   H30B  SXD  87          H30B      SXD  87   1.734 -14.593   2.671
  635    H31  SXD  87          H31A      SXD  87   1.293 -12.341   1.811
  636   H31A  SXD  87          H31C      SXD  87   1.514 -11.989   0.096
  637   H31B  SXD  87          H31B      SXD  87   0.111 -12.913   0.633
  638    H32  SXD  87          H32A      SXD  87   2.143 -15.611  -0.899
  639   HO33  SXD  87          H33A      SXD  87   1.647 -13.304  -2.236
  640   HN36  SXD  87          H36A      SXD  87  -0.185 -15.864   0.291
  641    H37  SXD  87          H37B      SXD  87  -2.245 -15.024  -1.635
  642   H37A  SXD  87          H37A      SXD  87  -2.559 -15.171   0.084
  643    H38  SXD  87          H38A      SXD  87  -3.454 -17.026  -1.244
  644   H38A  SXD  87          H38B      SXD  87  -1.821 -17.443  -1.765
  645   HN41  SXD  87          H41A      SXD  87  -2.368 -16.345   1.531
  646    H42  SXD  87          H42B      SXD  87  -1.172 -17.908   3.102
  647   H42A  SXD  87          H42A      SXD  87  -2.313 -19.111   2.514
  648    H43  SXD  87          H43B      SXD  87  -3.031 -16.573   3.970
  649   H43A  SXD  87          H43A      SXD  87  -4.169 -17.773   3.350
  650    H1   SXD  87           H1A      SXD  87  -5.297 -18.053   5.855
  651    H1A  SXD  87           H1B      SXD  87  -4.179 -16.750   6.308
  652    H2   SXD  87           H2A      SXD  87  -3.413 -18.225   8.152
  653    H2A  SXD  87           H2B      SXD  87  -4.602 -19.429   7.661
  654    H4   SXD  87           H4B      SXD  87  -5.354 -17.382  10.687
  655    H4A  SXD  87           H4A      SXD  87  -3.864 -17.041   9.805
  656    H6   SXD  87           H6C      SXD  87  -6.756 -14.419  10.926
  657    H6A  SXD  87           H6A      SXD  87  -7.310 -15.913  10.160
  658    H6B  SXD  87           H6B      SXD  87  -7.044 -14.464   9.182
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -20.182   8.087   0.449
    2    H2   MET   1           HT2      MET   1 -20.502   9.629   1.073
    3    H3   MET   1           HT3      MET   1 -19.319   8.610   1.795
    4    HA   MET   1           HA       MET   1 -19.243   9.663  -0.969
    5    HB2  MET   1           HB2      MET   1 -17.411  11.104  -0.272
    6    HB3  MET   1           HB1      MET   1 -18.820  11.448   0.721
    7    HG2  MET   1           HG2      MET   1 -17.878  10.275   2.580
    8    HG3  MET   1           HG1      MET   1 -16.558   9.660   1.589
    9    HE1  MET   1           HE1      MET   1 -17.014  14.103   2.802
   10    HE2  MET   1           HE2      MET   1 -18.126  12.834   3.317
   11    HE3  MET   1           HE3      MET   1 -18.068  13.325   1.623
   12    H    ALA   2           HN       ALA   2 -17.208   9.219  -2.010
   13    HA   ALA   2           HA       ALA   2 -16.065   6.694  -1.133
   14    HB1  ALA   2           HB1      ALA   2 -15.656   8.271  -3.683
   15    HB2  ALA   2           HB2      ALA   2 -16.746   6.897  -3.485
   16    HB3  ALA   2           HB3      ALA   2 -15.002   6.666  -3.351
   17    H    THR   3           HN       THR   3 -14.664   7.161   0.503
   18    HA   THR   3           HA       THR   3 -12.837   9.396   0.283
   19    HB   THR   3           HB       THR   3 -12.857   7.177   2.292
   20    HG1  THR   3           HG1      THR   3 -14.863   7.943   2.502
   21   HG21  THR   3          HG21      THR   3 -11.978  10.067   2.446
   22   HG22  THR   3          HG22      THR   3 -10.914   8.662   2.346
   23   HG23  THR   3          HG23      THR   3 -11.907   8.916   3.781
   24    H    LEU   4           HN       LEU   4 -11.250   9.037  -1.099
   25    HA   LEU   4           HA       LEU   4 -10.311   6.314  -1.568
   26    HB2  LEU   4           HB2      LEU   4  -9.735   8.863  -3.072
   27    HB3  LEU   4           HB1      LEU   4  -9.216   7.255  -3.540
   28    HG   LEU   4           HG       LEU   4 -12.085   8.188  -3.396
   29   HD11  LEU   4          HD11      LEU   4 -12.020   8.053  -5.825
   30   HD12  LEU   4          HD12      LEU   4 -10.300   7.666  -5.762
   31   HD13  LEU   4          HD13      LEU   4 -10.870   9.240  -5.212
   32   HD21  LEU   4          HD21      LEU   4 -11.853   5.803  -2.931
   33   HD22  LEU   4          HD22      LEU   4 -10.894   5.602  -4.398
   34   HD23  LEU   4          HD23      LEU   4 -12.593   6.070  -4.509
   35    H    LEU   5           HN       LEU   5  -8.016   5.968  -1.736
   36    HA   LEU   5           HA       LEU   5  -6.593   7.097   0.461
   37    HB2  LEU   5           HB2      LEU   5  -5.750   5.277  -1.772
   38    HB3  LEU   5           HB1      LEU   5  -4.680   5.784  -0.480
   39    HG   LEU   5           HG       LEU   5  -7.185   4.153  -0.178
   40   HD11  LEU   5          HD11      LEU   5  -5.355   3.020  -1.336
   41   HD12  LEU   5          HD12      LEU   5  -5.652   2.368   0.279
   42   HD13  LEU   5          HD13      LEU   5  -4.270   3.431  -0.002
   43   HD21  LEU   5          HD21      LEU   5  -6.687   5.529   1.770
   44   HD22  LEU   5          HD22      LEU   5  -5.038   4.903   1.780
   45   HD23  LEU   5          HD23      LEU   5  -6.397   3.821   2.088
   46    H    THR   6           HN       THR   6  -5.283   8.783   0.429
   47    HA   THR   6           HA       THR   6  -4.668  10.023  -2.097
   48    HB   THR   6           HB       THR   6  -3.410  11.680  -0.674
   49    HG1  THR   6           HG1      THR   6  -4.517  10.166   1.468
   50   HG21  THR   6          HG21      THR   6  -5.383  12.672   0.417
   51   HG22  THR   6          HG22      THR   6  -6.253  11.148   0.212
   52   HG23  THR   6          HG23      THR   6  -5.770  12.085  -1.203
   53    H    THR   7           HN       THR   7  -2.154  10.695  -2.217
   54    HA   THR   7           HA       THR   7  -0.760   8.244  -2.253
   55    HB   THR   7           HB       THR   7   1.219   9.789  -2.790
   56    HG1  THR   7           HG1      THR   7   0.533  11.841  -3.531
   57   HG21  THR   7          HG21      THR   7   0.412  10.121  -5.097
   58   HG22  THR   7          HG22      THR   7  -1.235   9.793  -4.560
   59   HG23  THR   7          HG23      THR   7  -0.013   8.522  -4.484
   60    H    ASP   8           HN       ASP   8  -1.023  10.871  -0.104
   61    HA   ASP   8           HA       ASP   8   1.093  10.234   1.670
   62    HB2  ASP   8           HB2      ASP   8  -1.483  11.733   2.092
   63    HB3  ASP   8           HB1      ASP   8  -0.411  11.384   3.437
   64    H    ASP   9           HN       ASP   9  -2.234   9.123   1.491
   65    HA   ASP   9           HA       ASP   9  -2.133   7.608   3.910
   66    HB2  ASP   9           HB2      ASP   9  -3.907   7.168   1.504
   67    HB3  ASP   9           HB1      ASP   9  -4.091   6.345   3.044
   68    H    LEU  10           HN       LEU  10  -1.530   6.869   0.577
   69    HA   LEU  10           HA       LEU  10  -1.048   4.110   0.811
   70    HB2  LEU  10           HB2      LEU  10  -1.300   5.617  -1.280
   71    HB3  LEU  10           HB1      LEU  10   0.385   6.010  -1.063
   72    HG   LEU  10           HG       LEU  10  -0.781   3.305  -1.758
   73   HD11  LEU  10          HD11      LEU  10  -0.872   4.885  -3.570
   74   HD12  LEU  10          HD12      LEU  10   0.348   3.652  -3.894
   75   HD13  LEU  10          HD13      LEU  10   0.839   5.259  -3.362
   76   HD21  LEU  10          HD21      LEU  10   1.231   2.992  -0.431
   77   HD22  LEU  10          HD22      LEU  10   2.106   4.121  -1.460
   78   HD23  LEU  10          HD23      LEU  10   1.544   2.577  -2.120
   79    H    ARG  11           HN       ARG  11   1.234   6.855   0.808
   80    HA   ARG  11           HA       ARG  11   3.412   5.155   1.395
   81    HB2  ARG  11           HB2      ARG  11   4.805   7.137   1.594
   82    HB3  ARG  11           HB1      ARG  11   3.783   7.216   0.171
   83    HG2  ARG  11           HG2      ARG  11   2.294   8.754   1.320
   84    HG3  ARG  11           HG1      ARG  11   3.323   8.675   2.752
   85    HD2  ARG  11           HD2      ARG  11   5.194   9.559   1.464
   86    HD3  ARG  11           HD1      ARG  11   4.183   9.599   0.021
   87    HE   ARG  11           HE       ARG  11   2.896  11.063   1.987
   88   HH11  ARG  11          HH11      ARG  11   5.850  11.317   0.027
   89   HH12  ARG  11          HH12      ARG  11   5.939  13.014   0.165
   90   HH21  ARG  11          HH21      ARG  11   2.944  13.323   2.066
   91   HH22  ARG  11          HH22      ARG  11   4.217  14.216   1.374
   92    H    ARG  12           HN       ARG  12   1.257   6.937   3.555
   93    HA   ARG  12           HA       ARG  12   3.017   6.858   5.782
   94    HB2  ARG  12           HB2      ARG  12   1.151   7.404   7.219
   95    HB3  ARG  12           HB1      ARG  12   0.982   8.328   5.738
   96    HG2  ARG  12           HG2      ARG  12  -0.754   6.869   4.960
   97    HG3  ARG  12           HG1      ARG  12  -0.490   5.772   6.315
   98    HD2  ARG  12           HD2      ARG  12  -2.423   7.071   6.809
   99    HD3  ARG  12           HD1      ARG  12  -1.125   7.623   7.851
  100    HE   ARG  12           HE       ARG  12  -1.418   9.154   5.441
  101   HH11  ARG  12          HH11      ARG  12  -2.374   8.846   8.849
  102   HH12  ARG  12          HH12      ARG  12  -3.120  10.363   8.951
  103   HH21  ARG  12          HH21      ARG  12  -2.469  11.314   5.581
  104   HH22  ARG  12          HH22      ARG  12  -3.111  11.811   7.080
  105    H    ALA  13           HN       ALA  13   1.016   4.488   4.347
  106    HA   ALA  13           HA       ALA  13   0.922   2.673   6.525
  107    HB1  ALA  13           HB1      ALA  13   0.270   1.032   4.792
  108    HB2  ALA  13           HB2      ALA  13   0.664   2.223   3.545
  109    HB3  ALA  13           HB3      ALA  13  -0.649   2.530   4.673
  110    H    LEU  14           HN       LEU  14   3.060   3.110   3.721
  111    HA   LEU  14           HA       LEU  14   4.868   1.061   4.294
  112    HB2  LEU  14           HB2      LEU  14   5.147   3.661   2.792
  113    HB3  LEU  14           HB1      LEU  14   6.491   2.562   2.983
  114    HG   LEU  14           HG       LEU  14   5.159   0.829   1.778
  115   HD11  LEU  14          HD11      LEU  14   3.282   3.091   1.199
  116   HD12  LEU  14          HD12      LEU  14   2.933   1.643   2.144
  117   HD13  LEU  14          HD13      LEU  14   3.270   1.510   0.416
  118   HD21  LEU  14          HD21      LEU  14   5.511   1.800  -0.444
  119   HD22  LEU  14          HD22      LEU  14   6.865   2.129   0.635
  120   HD23  LEU  14          HD23      LEU  14   5.680   3.387   0.286
  121    H    VAL  15           HN       VAL  15   4.952   4.515   5.045
  122    HA   VAL  15           HA       VAL  15   7.292   4.796   6.412
  123    HB   VAL  15           HB       VAL  15   4.625   6.059   7.134
  124   HG11  VAL  15          HG11      VAL  15   6.197   6.245   9.003
  125   HG12  VAL  15          HG12      VAL  15   5.942   7.813   8.236
  126   HG13  VAL  15          HG13      VAL  15   7.419   6.907   7.917
  127   HG21  VAL  15          HG21      VAL  15   5.463   7.969   5.838
  128   HG22  VAL  15          HG22      VAL  15   5.349   6.510   4.848
  129   HG23  VAL  15          HG23      VAL  15   6.916   7.052   5.437
  130    H    GLU  16           HN       GLU  16   4.199   4.013   8.012
  131    HA   GLU  16           HA       GLU  16   5.500   3.470  10.482
  132    HB2  GLU  16           HB2      GLU  16   2.691   2.920   9.581
  133    HB3  GLU  16           HB1      GLU  16   3.271   2.610  11.215
  134    HG2  GLU  16           HG2      GLU  16   3.220   5.289   9.841
  135    HG3  GLU  16           HG1      GLU  16   2.076   4.728  11.058
  136    H    SER  17           HN       SER  17   5.129   1.533   7.726
  137    HA   SER  17           HA       SER  17   5.271  -0.963   9.136
  138    HB2  SER  17           HB2      SER  17   4.208  -0.911   6.914
  139    HB3  SER  17           HB1      SER  17   5.697  -0.299   6.196
  140    HG   SER  17           HG       SER  17   5.576  -2.767   7.581
  141    H    ALA  18           HN       ALA  18   7.482   1.165   7.352
  142    HA   ALA  18           HA       ALA  18   9.769  -0.466   7.874
  143    HB1  ALA  18           HB1      ALA  18   9.667   1.037   5.937
  144    HB2  ALA  18           HB2      ALA  18  11.052   1.404   6.969
  145    HB3  ALA  18           HB3      ALA  18   9.616   2.428   7.023
  146    H    GLY  19           HN       GLY  19   8.312   2.342   9.334
  147    HA2  GLY  19           HA2      GLY  19   8.723   2.067  11.908
  148    HA3  GLY  19           HA1      GLY  19  10.367   2.452  11.373
  149    H    GLU  20           HN       GLU  20  10.828   4.339  10.478
  150    HA   GLU  20           HA       GLU  20   8.861   6.381  10.136
  151    HB2  GLU  20           HB2      GLU  20   9.224   6.605  12.518
  152    HB3  GLU  20           HB1      GLU  20  10.963   6.518  12.311
  153    HG2  GLU  20           HG2      GLU  20  10.132   8.771  12.805
  154    HG3  GLU  20           HG1      GLU  20  11.015   8.655  11.283
  155    H    THR  21           HN       THR  21   9.432   7.231   8.294
  156    HA   THR  21           HA       THR  21  10.576   8.008   6.534
  157    HB   THR  21           HB       THR  21  12.964   8.246   8.414
  158    HG1  THR  21           HG1      THR  21  10.608   9.363   8.691
  159   HG21  THR  21          HG21      THR  21  13.474   8.593   6.016
  160   HG22  THR  21          HG22      THR  21  13.612  10.099   6.924
  161   HG23  THR  21          HG23      THR  21  12.192   9.800   5.924
  162    H    ASP  22           HN       ASP  22  10.355   6.042   5.536
  163    HA   ASP  22           HA       ASP  22  11.613   3.624   5.755
  164    HB2  ASP  22           HB2      ASP  22  10.929   4.899   3.109
  165    HB3  ASP  22           HB1      ASP  22  10.942   3.191   3.517
  166    H    GLY  23           HN       GLY  23  12.636   6.454   3.945
  167    HA2  GLY  23           HA2      GLY  23  14.978   6.891   3.577
  168    HA3  GLY  23           HA1      GLY  23  15.202   5.148   3.337
  169    H    THR  24           HN       THR  24  13.169   4.418   1.842
  170    HA   THR  24           HA       THR  24  13.587   5.575  -0.727
  171    HB   THR  24           HB       THR  24  11.657   3.833  -1.119
  172    HG1  THR  24           HG1      THR  24  11.032   3.360   0.890
  173   HG21  THR  24          HG21      THR  24  13.301   2.008  -1.218
  174   HG22  THR  24          HG22      THR  24  14.422   2.961  -0.241
  175   HG23  THR  24          HG23      THR  24  13.978   3.504  -1.859
  176    H    ASP  25           HN       ASP  25  12.758   7.719  -0.210
  177    HA   ASP  25           HA       ASP  25  10.178   8.151   0.835
  178    HB2  ASP  25           HB2      ASP  25  11.883   9.995  -0.839
  179    HB3  ASP  25           HB1      ASP  25  10.369  10.464  -0.086
  180    H    LEU  26           HN       LEU  26   8.276   8.732  -0.090
  181    HA   LEU  26           HA       LEU  26   7.947   7.943  -2.868
  182    HB2  LEU  26           HB2      LEU  26   5.951   7.594  -0.607
  183    HB3  LEU  26           HB1      LEU  26   5.671   7.203  -2.278
  184    HG   LEU  26           HG       LEU  26   5.934   5.167  -1.289
  185   HD11  LEU  26          HD11      LEU  26   7.272   5.221  -3.240
  186   HD12  LEU  26          HD12      LEU  26   8.024   4.177  -2.026
  187   HD13  LEU  26          HD13      LEU  26   8.665   5.792  -2.319
  188   HD21  LEU  26          HD21      LEU  26   6.640   5.862   0.908
  189   HD22  LEU  26          HD22      LEU  26   8.264   6.209   0.312
  190   HD23  LEU  26          HD23      LEU  26   7.669   4.548   0.340
  191    H    SER  27           HN       SER  27   8.318  10.078  -3.260
  192    HA   SER  27           HA       SER  27   6.085  11.857  -2.540
  193    HB2  SER  27           HB2      SER  27   8.888  12.606  -3.095
  194    HB3  SER  27           HB1      SER  27   7.610  13.740  -2.638
  195    HG   SER  27           HG       SER  27   9.216  12.592  -1.030
  196    H    GLY  28           HN       GLY  28   4.826  12.288  -4.221
  197    HA2  GLY  28           HA2      GLY  28   4.442  13.423  -6.255
  198    HA3  GLY  28           HA1      GLY  28   6.091  13.065  -6.741
  199    H    ASP  29           HN       ASP  29   6.107  11.796  -8.452
  200    HA   ASP  29           HA       ASP  29   3.919   9.942  -8.819
  201    HB2  ASP  29           HB2      ASP  29   6.128  10.836 -10.685
  202    HB3  ASP  29           HB1      ASP  29   5.041   9.516 -11.070
  203    H    PHE  30           HN       PHE  30   4.468   8.604  -7.175
  204    HA   PHE  30           HA       PHE  30   6.871   6.971  -7.649
  205    HB2  PHE  30           HB2      PHE  30   6.809   6.350  -5.308
  206    HB3  PHE  30           HB1      PHE  30   6.791   8.100  -5.450
  207    HD1  PHE  30           HD2      PHE  30   4.753   9.362  -4.900
  208    HD2  PHE  30           HD1      PHE  30   4.967   5.151  -4.345
  209    HE1  PHE  30           HE2      PHE  30   2.754   9.460  -3.500
  210    HE2  PHE  30           HE1      PHE  30   2.956   5.235  -2.937
  211    HZ   PHE  30           HZ       PHE  30   1.937   7.356  -2.371
  212    H    LEU  31           HN       LEU  31   3.881   6.937  -8.528
  213    HA   LEU  31           HA       LEU  31   2.801   4.558  -7.441
  214    HB2  LEU  31           HB2      LEU  31   2.050   6.300  -9.736
  215    HB3  LEU  31           HB1      LEU  31   1.275   4.747  -9.575
  216    HG   LEU  31           HG       LEU  31   0.446   5.443  -7.327
  217   HD11  LEU  31          HD11      LEU  31   2.148   7.072  -6.738
  218   HD12  LEU  31          HD12      LEU  31   0.537   7.788  -6.660
  219   HD13  LEU  31          HD13      LEU  31   1.594   8.136  -8.031
  220   HD21  LEU  31          HD21      LEU  31  -0.274   7.286  -9.593
  221   HD22  LEU  31          HD22      LEU  31  -1.239   7.002  -8.143
  222   HD23  LEU  31          HD23      LEU  31  -0.951   5.688  -9.283
  223    H    ASP  32           HN       ASP  32   4.662   5.237 -10.297
  224    HA   ASP  32           HA       ASP  32   4.289   2.485 -11.175
  225    HB2  ASP  32           HB2      ASP  32   5.679   4.781 -12.551
  226    HB3  ASP  32           HB1      ASP  32   5.510   3.160 -13.226
  227    H    LEU  33           HN       LEU  33   5.996   3.412  -8.866
  228    HA   LEU  33           HA       LEU  33   8.623   2.409  -9.552
  229    HB2  LEU  33           HB2      LEU  33   7.256   2.944  -6.943
  230    HB3  LEU  33           HB1      LEU  33   8.943   2.455  -7.066
  231    HG   LEU  33           HG       LEU  33   7.694   5.045  -7.961
  232   HD11  LEU  33          HD11      LEU  33   8.118   4.878  -5.579
  233   HD12  LEU  33          HD12      LEU  33   9.221   6.029  -6.324
  234   HD13  LEU  33          HD13      LEU  33   9.789   4.410  -5.892
  235   HD21  LEU  33          HD21      LEU  33  10.542   4.106  -8.316
  236   HD22  LEU  33          HD22      LEU  33   9.942   5.728  -8.667
  237   HD23  LEU  33          HD23      LEU  33   9.363   4.353  -9.603
  238    H    ARG  34           HN       ARG  34   9.347   0.502  -7.975
  239    HA   ARG  34           HA       ARG  34   7.097  -1.385  -7.919
  240    HB2  ARG  34           HB2      ARG  34   9.986  -2.050  -8.498
  241    HB3  ARG  34           HB1      ARG  34   8.700  -3.229  -8.289
  242    HG2  ARG  34           HG2      ARG  34   7.537  -2.217 -10.239
  243    HG3  ARG  34           HG1      ARG  34   8.947  -1.179 -10.473
  244    HD2  ARG  34           HD2      ARG  34   9.073  -3.114 -11.927
  245    HD3  ARG  34           HD1      ARG  34  10.353  -3.175 -10.714
  246    HE   ARG  34           HE       ARG  34   7.885  -4.550 -10.103
  247   HH11  ARG  34          HH11      ARG  34  11.116  -4.911 -11.519
  248   HH12  ARG  34          HH12      ARG  34  11.277  -6.553 -11.037
  249   HH21  ARG  34          HH21      ARG  34   8.123  -6.737  -9.473
  250   HH22  ARG  34          HH22      ARG  34   9.544  -7.630  -9.845
  251    H    PHE  35           HN       PHE  35   6.753  -2.525  -6.125
  252    HA   PHE  35           HA       PHE  35   7.841  -1.531  -3.755
  253    HB2  PHE  35           HB2      PHE  35   6.129  -3.914  -4.312
  254    HB3  PHE  35           HB1      PHE  35   6.779  -3.622  -2.702
  255    HD1  PHE  35           HD1      PHE  35   6.451  -1.015  -2.002
  256    HD2  PHE  35           HD2      PHE  35   3.990  -3.240  -4.642
  257    HE1  PHE  35           HE1      PHE  35   4.608   0.532  -1.582
  258    HE2  PHE  35           HE2      PHE  35   2.129  -1.683  -4.225
  259    HZ   PHE  35           HZ       PHE  35   2.411   0.121  -2.529
  260    H    GLU  36           HN       GLU  36   8.557  -4.521  -5.490
  261    HA   GLU  36           HA       GLU  36  10.328  -5.612  -3.629
  262    HB2  GLU  36           HB2      GLU  36  10.388  -5.764  -6.642
  263    HB3  GLU  36           HB1      GLU  36  11.407  -6.734  -5.592
  264    HG2  GLU  36           HG2      GLU  36   9.406  -7.738  -4.603
  265    HG3  GLU  36           HG1      GLU  36   8.404  -6.784  -5.696
  266    H    ASP  37           HN       ASP  37  10.860  -3.314  -6.166
  267    HA   ASP  37           HA       ASP  37  13.624  -2.942  -6.005
  268    HB2  ASP  37           HB2      ASP  37  12.274  -2.184  -7.873
  269    HB3  ASP  37           HB1      ASP  37  11.420  -1.057  -6.837
  270    H    ILE  38           HN       ILE  38  10.951  -1.278  -4.352
  271    HA   ILE  38           HA       ILE  38  12.854   0.373  -2.921
  272    HB   ILE  38           HB       ILE  38  10.939   1.544  -1.908
  273   HG12  ILE  38          HG12      ILE  38   9.226  -0.344  -3.557
  274   HG13  ILE  38          HG11      ILE  38   9.363  -0.357  -1.805
  275   HG21  ILE  38          HG21      ILE  38  10.066   2.565  -3.969
  276   HG22  ILE  38          HG22      ILE  38  10.748   1.229  -4.896
  277   HG23  ILE  38          HG23      ILE  38  11.815   2.329  -4.021
  278   HD11  ILE  38          HD11      ILE  38   8.358   1.872  -1.715
  279   HD12  ILE  38          HD12      ILE  38   7.305   0.709  -2.526
  280   HD13  ILE  38          HD13      ILE  38   8.227   1.875  -3.474
  281    H    GLY  39           HN       GLY  39  12.384  -2.599  -2.456
  282    HA2  GLY  39           HA2      GLY  39  12.987  -3.906  -0.631
  283    HA3  GLY  39           HA1      GLY  39  13.045  -2.443   0.339
  284    H    TYR  40           HN       TYR  40  10.247  -3.521  -1.478
  285    HA   TYR  40           HA       TYR  40   8.938  -4.134   1.047
  286    HB2  TYR  40           HB2      TYR  40   8.031  -2.373  -1.171
  287    HB3  TYR  40           HB1      TYR  40   6.814  -3.324  -0.320
  288    HD1  TYR  40           HD1      TYR  40   9.569  -0.871   0.236
  289    HD2  TYR  40           HD2      TYR  40   6.029  -2.682   1.724
  290    HE1  TYR  40           HE1      TYR  40   9.590   0.674   2.150
  291    HE2  TYR  40           HE2      TYR  40   6.012  -1.185   3.600
  292    HH   TYR  40           HH       TYR  40   8.078   1.576   3.945
  293    H    ASP  41           HN       ASP  41   8.694  -6.179   1.170
  294    HA   ASP  41           HA       ASP  41   8.055  -7.772  -1.185
  295    HB2  ASP  41           HB2      ASP  41   8.507  -9.692   0.183
  296    HB3  ASP  41           HB1      ASP  41   9.783  -8.527   0.508
  297    H    SER  42           HN       SER  42   6.483  -9.624  -0.437
  298    HA   SER  42           HA       SER  42   3.918  -8.629  -0.418
  299    HB2  SER  42           HB2      SER  42   3.315 -10.956   0.167
  300    HB3  SER  42           HB1      SER  42   4.387 -10.808  -1.226
  301    H    LEU  43           HN       LEU  43   5.875  -9.771   2.364
  302    HA   LEU  43           HA       LEU  43   3.616  -9.690   4.120
  303    HB2  LEU  43           HB2      LEU  43   5.578 -11.197   4.476
  304    HB3  LEU  43           HB1      LEU  43   6.530  -9.783   4.894
  305    HG   LEU  43           HG       LEU  43   4.935  -9.326   6.746
  306   HD11  LEU  43          HD11      LEU  43   3.864 -12.044   6.037
  307   HD12  LEU  43          HD12      LEU  43   3.012 -10.508   5.897
  308   HD13  LEU  43          HD13      LEU  43   3.465 -11.125   7.487
  309   HD21  LEU  43          HD21      LEU  43   5.780 -11.070   8.223
  310   HD22  LEU  43          HD22      LEU  43   7.037 -10.406   7.189
  311   HD23  LEU  43          HD23      LEU  43   6.346 -11.992   6.822
  312    H    ALA  44           HN       ALA  44   6.205  -7.517   3.286
  313    HA   ALA  44           HA       ALA  44   5.651  -5.569   5.265
  314    HB1  ALA  44           HB1      ALA  44   7.749  -5.561   3.989
  315    HB2  ALA  44           HB2      ALA  44   6.900  -4.025   3.801
  316    HB3  ALA  44           HB3      ALA  44   6.852  -5.222   2.507
  317    H    LEU  45           HN       LEU  45   4.404  -6.281   2.098
  318    HA   LEU  45           HA       LEU  45   2.746  -3.995   1.919
  319    HB2  LEU  45           HB2      LEU  45   2.679  -6.593   0.412
  320    HB3  LEU  45           HB1      LEU  45   1.701  -5.186   0.017
  321    HG   LEU  45           HG       LEU  45   4.708  -5.254   0.034
  322   HD11  LEU  45          HD11      LEU  45   2.770  -5.185  -2.253
  323   HD12  LEU  45          HD12      LEU  45   3.816  -6.541  -1.794
  324   HD13  LEU  45          HD13      LEU  45   4.525  -5.019  -2.356
  325   HD21  LEU  45          HD21      LEU  45   4.526  -3.040  -0.967
  326   HD22  LEU  45          HD22      LEU  45   3.816  -3.091   0.649
  327   HD23  LEU  45          HD23      LEU  45   2.774  -3.102  -0.776
  328    H    MET  46           HN       MET  46   2.289  -7.206   3.212
  329    HA   MET  46           HA       MET  46  -0.475  -7.113   3.744
  330    HB2  MET  46           HB2      MET  46   1.719  -8.235   5.511
  331    HB3  MET  46           HB1      MET  46   0.009  -8.576   5.684
  332    HG2  MET  46           HG2      MET  46   1.717  -9.257   3.348
  333    HG3  MET  46           HG1      MET  46   1.258 -10.382   4.624
  334    HE1  MET  46           HE1      MET  46  -2.651 -10.489   4.135
  335    HE2  MET  46           HE2      MET  46  -1.745  -9.368   5.152
  336    HE3  MET  46           HE3      MET  46  -1.296 -11.073   5.102
  337    H    GLU  47           HN       GLU  47   2.313  -6.044   5.529
  338    HA   GLU  47           HA       GLU  47   1.032  -4.966   7.783
  339    HB2  GLU  47           HB2      GLU  47   3.426  -5.695   7.401
  340    HB3  GLU  47           HB1      GLU  47   3.680  -4.177   6.577
  341    HG2  GLU  47           HG2      GLU  47   4.480  -4.179   8.878
  342    HG3  GLU  47           HG1      GLU  47   3.255  -2.926   8.602
  343    H    THR  48           HN       THR  48   1.880  -3.689   4.658
  344    HA   THR  48           HA       THR  48   1.302  -0.950   5.065
  345    HB   THR  48           HB       THR  48   1.289  -2.673   2.566
  346    HG1  THR  48           HG1      THR  48   3.323  -2.437   3.772
  347   HG21  THR  48          HG21      THR  48   1.560  -0.580   1.301
  348   HG22  THR  48          HG22      THR  48   1.387   0.346   2.794
  349   HG23  THR  48          HG23      THR  48   0.029  -0.596   2.177
  350    H    ALA  49           HN       ALA  49  -0.631  -3.517   3.378
  351    HA   ALA  49           HA       ALA  49  -2.830  -1.862   2.942
  352    HB1  ALA  49           HB1      ALA  49  -3.929  -3.863   2.139
  353    HB2  ALA  49           HB2      ALA  49  -2.678  -4.869   2.868
  354    HB3  ALA  49           HB3      ALA  49  -2.275  -3.781   1.538
  355    H    ALA  50           HN       ALA  50  -2.091  -4.234   5.469
  356    HA   ALA  50           HA       ALA  50  -4.554  -4.554   6.647
  357    HB1  ALA  50           HB1      ALA  50  -1.935  -4.303   8.107
  358    HB2  ALA  50           HB2      ALA  50  -2.526  -5.769   7.321
  359    HB3  ALA  50           HB3      ALA  50  -3.396  -5.091   8.703
  360    H    ARG  51           HN       ARG  51  -2.243  -1.947   7.192
  361    HA   ARG  51           HA       ARG  51  -3.668  -0.732   9.301
  362    HB2  ARG  51           HB2      ARG  51  -1.312  -0.262   8.924
  363    HB3  ARG  51           HB1      ARG  51  -1.682   0.459   7.364
  364    HG2  ARG  51           HG2      ARG  51  -2.887   2.252   8.434
  365    HG3  ARG  51           HG1      ARG  51  -2.644   1.502  10.012
  366    HD2  ARG  51           HD2      ARG  51  -0.272   1.792   9.828
  367    HD3  ARG  51           HD1      ARG  51  -0.450   2.433   8.192
  368    HE   ARG  51           HE       ARG  51  -1.655   4.313   9.147
  369   HH11  ARG  51          HH11      ARG  51   0.236   2.391  11.463
  370   HH12  ARG  51          HH12      ARG  51   0.549   3.684  12.509
  371   HH21  ARG  51          HH21      ARG  51  -1.208   6.135  10.579
  372   HH22  ARG  51          HH22      ARG  51  -0.290   5.860  11.977
  373    H    LEU  52           HN       LEU  52  -3.656  -0.199   5.825
  374    HA   LEU  52           HA       LEU  52  -5.477   1.980   5.963
  375    HB2  LEU  52           HB2      LEU  52  -4.714   0.239   3.619
  376    HB3  LEU  52           HB1      LEU  52  -5.670   1.704   3.506
  377    HG   LEU  52           HG       LEU  52  -2.794   1.552   4.429
  378   HD11  LEU  52          HD11      LEU  52  -4.010   2.694   1.947
  379   HD12  LEU  52          HD12      LEU  52  -3.071   1.197   2.032
  380   HD13  LEU  52          HD13      LEU  52  -2.303   2.757   2.386
  381   HD21  LEU  52          HD21      LEU  52  -2.876   3.992   4.417
  382   HD22  LEU  52          HD22      LEU  52  -4.030   3.319   5.575
  383   HD23  LEU  52          HD23      LEU  52  -4.594   3.933   4.020
  384    H    GLU  53           HN       GLU  53  -5.793  -1.466   5.397
  385    HA   GLU  53           HA       GLU  53  -8.475  -1.659   4.848
  386    HB2  GLU  53           HB2      GLU  53  -6.571  -3.452   6.279
  387    HB3  GLU  53           HB1      GLU  53  -8.273  -3.909   6.143
  388    HG2  GLU  53           HG2      GLU  53  -7.858  -3.674   3.617
  389    HG3  GLU  53           HG1      GLU  53  -6.156  -3.599   4.065
  390    H    SER  54           HN       SER  54  -6.866  -1.851   8.025
  391    HA   SER  54           HA       SER  54  -9.148  -2.120   9.592
  392    HB2  SER  54           HB2      SER  54  -6.484  -0.897  10.342
  393    HB3  SER  54           HB1      SER  54  -7.703  -1.487  11.471
  394    HG   SER  54           HG       SER  54  -7.096  -3.374   9.611
  395    H    ARG  55           HN       ARG  55  -7.576   0.772   8.388
  396    HA   ARG  55           HA       ARG  55  -9.019   2.605  10.038
  397    HB2  ARG  55           HB2      ARG  55  -6.869   3.195   9.089
  398    HB3  ARG  55           HB1      ARG  55  -7.516   3.036   7.464
  399    HG2  ARG  55           HG2      ARG  55  -9.024   4.920   7.882
  400    HG3  ARG  55           HG1      ARG  55  -8.343   5.093   9.503
  401    HD2  ARG  55           HD2      ARG  55  -6.146   5.522   8.539
  402    HD3  ARG  55           HD1      ARG  55  -6.810   5.313   6.920
  403    HE   ARG  55           HE       ARG  55  -8.155   7.310   8.440
  404   HH11  ARG  55          HH11      ARG  55  -5.391   6.701   6.321
  405   HH12  ARG  55          HH12      ARG  55  -5.235   8.302   5.768
  406   HH21  ARG  55          HH21      ARG  55  -7.863   9.567   7.817
  407   HH22  ARG  55          HH22      ARG  55  -6.657   9.986   6.688
  408    H    TYR  56           HN       TYR  56  -9.288   1.743   6.592
  409    HA   TYR  56           HA       TYR  56 -11.594   3.429   6.348
  410    HB2  TYR  56           HB2      TYR  56 -10.038   1.799   4.382
  411    HB3  TYR  56           HB1      TYR  56 -11.500   2.664   3.926
  412    HD1  TYR  56           HD2      TYR  56 -11.550   5.156   4.120
  413    HD2  TYR  56           HD1      TYR  56  -7.992   2.908   4.681
  414    HE1  TYR  56           HE2      TYR  56 -10.229   7.186   3.800
  415    HE2  TYR  56           HE1      TYR  56  -6.645   4.927   4.355
  416    HH   TYR  56           HH       TYR  56  -7.949   8.048   4.364
  417    H    GLY  57           HN       GLY  57 -11.063   0.056   6.825
  418    HA2  GLY  57           HA2      GLY  57 -12.724  -1.421   7.500
  419    HA3  GLY  57           HA1      GLY  57 -13.942  -0.275   6.961
  420    H    VAL  58           HN       VAL  58 -11.246  -1.442   5.068
  421    HA   VAL  58           HA       VAL  58 -13.223  -2.588   3.247
  422    HB   VAL  58           HB       VAL  58 -11.553  -2.445   1.444
  423   HG11  VAL  58          HG11      VAL  58 -13.043  -0.549   1.789
  424   HG12  VAL  58          HG12      VAL  58 -11.459  -0.019   1.209
  425   HG13  VAL  58          HG13      VAL  58 -11.878   0.158   2.911
  426   HG21  VAL  58          HG21      VAL  58  -9.431  -1.264   1.764
  427   HG22  VAL  58          HG22      VAL  58  -9.512  -2.706   2.777
  428   HG23  VAL  58          HG23      VAL  58  -9.772  -1.111   3.487
  429    H    SER  59           HN       SER  59 -12.377  -4.500   1.970
  430    HA   SER  59           HA       SER  59 -10.799  -6.230   3.728
  431    HB2  SER  59           HB2      SER  59 -13.192  -6.937   2.033
  432    HB3  SER  59           HB1      SER  59 -12.201  -8.093   2.922
  433    HG   SER  59           HG       SER  59 -13.613  -5.915   4.118
  434    H    ILE  60           HN       ILE  60  -8.924  -6.619   2.813
  435    HA   ILE  60           HA       ILE  60  -8.775  -6.964  -0.104
  436    HB   ILE  60           HB       ILE  60  -6.619  -6.186   1.885
  437   HG12  ILE  60          HG12      ILE  60  -7.924  -4.561  -0.302
  438   HG13  ILE  60          HG11      ILE  60  -8.285  -4.424   1.414
  439   HG21  ILE  60          HG21      ILE  60  -6.452  -6.451  -1.119
  440   HG22  ILE  60          HG22      ILE  60  -5.690  -7.517   0.059
  441   HG23  ILE  60          HG23      ILE  60  -5.174  -5.834  -0.069
  442   HD11  ILE  60          HD11      ILE  60  -5.667  -3.834   0.080
  443   HD12  ILE  60          HD12      ILE  60  -5.968  -3.766   1.816
  444   HD13  ILE  60          HD13      ILE  60  -6.822  -2.666   0.731
  445    HA   PRO  61           HA       PRO  61  -7.998 -11.287   0.810
  446    HB2  PRO  61           HB2      PRO  61  -6.717 -11.187  -1.868
  447    HB3  PRO  61           HB1      PRO  61  -7.982 -12.267  -1.267
  448    HG2  PRO  61           HG2      PRO  61  -8.570 -10.315  -2.966
  449    HG3  PRO  61           HG1      PRO  61  -9.664 -10.717  -1.627
  450    HD2  PRO  61           HD2      PRO  61  -7.727  -8.449  -1.885
  451    HD3  PRO  61           HD1      PRO  61  -9.369  -8.460  -1.208
  452    H    ASP  62           HN       ASP  62  -6.414 -12.147   1.804
  453    HA   ASP  62           HA       ASP  62  -3.977 -11.040   2.564
  454    HB2  ASP  62           HB2      ASP  62  -5.267 -12.949   3.596
  455    HB3  ASP  62           HB1      ASP  62  -4.640 -13.982   2.329
  456    H    ASP  63           HN       ASP  63  -4.607 -13.464   0.062
  457    HA   ASP  63           HA       ASP  63  -1.926 -13.839  -0.756
  458    HB2  ASP  63           HB2      ASP  63  -3.612 -15.497  -1.233
  459    HB3  ASP  63           HB1      ASP  63  -4.522 -14.355  -2.211
  460    H    VAL  64           HN       VAL  64  -4.367 -11.573  -1.734
  461    HA   VAL  64           HA       VAL  64  -2.906 -10.777  -4.098
  462    HB   VAL  64           HB       VAL  64  -5.529  -9.675  -3.017
  463   HG11  VAL  64          HG11      VAL  64  -5.869  -8.725  -5.247
  464   HG12  VAL  64          HG12      VAL  64  -4.265  -9.275  -5.729
  465   HG13  VAL  64          HG13      VAL  64  -4.437  -8.049  -4.473
  466   HG21  VAL  64          HG21      VAL  64  -5.001 -11.678  -5.208
  467   HG22  VAL  64          HG22      VAL  64  -6.580 -11.016  -4.786
  468   HG23  VAL  64          HG23      VAL  64  -5.705 -12.021  -3.627
  469    H    ALA  65           HN       ALA  65  -3.155  -9.759  -0.835
  470    HA   ALA  65           HA       ALA  65  -2.484  -7.032  -1.034
  471    HB1  ALA  65           HB1      ALA  65  -3.190  -8.127   1.073
  472    HB2  ALA  65           HB2      ALA  65  -1.671  -7.233   1.244
  473    HB3  ALA  65           HB3      ALA  65  -1.641  -8.984   1.090
  474    H    GLY  66           HN       GLY  66  -0.473  -9.891  -0.777
  475    HA2  GLY  66           HA2      GLY  66   1.828  -8.233  -1.450
  476    HA3  GLY  66           HA1      GLY  66   1.940  -9.901  -0.830
  477    H    ARG  67           HN       ARG  67   0.167  -8.314  -3.401
  478    HA   ARG  67           HA       ARG  67   1.778  -9.716  -5.330
  479    HB2  ARG  67           HB2      ARG  67  -0.202 -11.107  -4.871
  480    HB3  ARG  67           HB1      ARG  67  -1.242  -9.751  -5.250
  481    HG2  ARG  67           HG2      ARG  67  -1.136 -11.424  -7.023
  482    HG3  ARG  67           HG1      ARG  67  -0.585  -9.810  -7.514
  483    HD2  ARG  67           HD2      ARG  67   1.367 -11.948  -6.668
  484    HD3  ARG  67           HD1      ARG  67   0.789 -11.856  -8.333
  485    HE   ARG  67           HE       ARG  67   1.591  -9.335  -7.637
  486   HH11  ARG  67          HH11      ARG  67   3.302 -12.442  -7.695
  487   HH12  ARG  67          HH12      ARG  67   4.717 -11.805  -8.395
  488   HH21  ARG  67          HH21      ARG  67   3.572  -8.472  -8.567
  489   HH22  ARG  67          HH22      ARG  67   4.912  -9.493  -8.842
  490    H    VAL  68           HN       VAL  68   0.724  -6.882  -4.182
  491    HA   VAL  68           HA       VAL  68   0.279  -5.611  -6.732
  492    HB   VAL  68           HB       VAL  68   0.203  -3.478  -5.352
  493   HG11  VAL  68          HG11      VAL  68  -1.835  -4.690  -5.865
  494   HG12  VAL  68          HG12      VAL  68  -1.932  -3.981  -4.254
  495   HG13  VAL  68          HG13      VAL  68  -1.612  -5.708  -4.440
  496   HG21  VAL  68          HG21      VAL  68   0.425  -5.373  -3.003
  497   HG22  VAL  68          HG22      VAL  68   0.075  -3.647  -2.909
  498   HG23  VAL  68          HG23      VAL  68   1.646  -4.198  -3.486
  499    H    ASP  69           HN       ASP  69   1.947  -5.314  -8.009
  500    HA   ASP  69           HA       ASP  69   4.633  -5.547  -6.991
  501    HB2  ASP  69           HB2      ASP  69   3.968  -6.534  -9.158
  502    HB3  ASP  69           HB1      ASP  69   3.705  -4.918  -9.795
  503    H    THR  70           HN       THR  70   2.712  -3.002  -8.406
  504    HA   THR  70           HA       THR  70   4.811  -1.064  -7.728
  505    HB   THR  70           HB       THR  70   3.595   0.448  -9.264
  506    HG1  THR  70           HG1      THR  70   2.056  -1.826  -9.965
  507   HG21  THR  70          HG21      THR  70   5.374  -0.947 -10.164
  508   HG22  THR  70          HG22      THR  70   4.080  -0.784 -11.360
  509   HG23  THR  70          HG23      THR  70   4.235  -2.264 -10.408
  510    HA   PRO  71           HA       PRO  71   2.224   0.837  -4.530
  511    HB2  PRO  71           HB2      PRO  71   3.057   3.370  -5.885
  512    HB3  PRO  71           HB1      PRO  71   3.097   2.958  -4.164
  513    HG2  PRO  71           HG2      PRO  71   5.333   2.948  -5.552
  514    HG3  PRO  71           HG1      PRO  71   5.007   1.638  -4.397
  515    HD2  PRO  71           HD2      PRO  71   4.780   1.636  -7.382
  516    HD3  PRO  71           HD1      PRO  71   5.397   0.375  -6.297
  517    H    ARG  72           HN       ARG  72   2.100   1.766  -7.901
  518    HA   ARG  72           HA       ARG  72  -0.407   3.012  -7.953
  519    HB2  ARG  72           HB2      ARG  72   1.038   3.007  -9.932
  520    HB3  ARG  72           HB1      ARG  72   0.835   1.269 -10.100
  521    HG2  ARG  72           HG2      ARG  72  -1.526   1.557 -10.562
  522    HG3  ARG  72           HG1      ARG  72  -1.386   3.293 -10.308
  523    HD2  ARG  72           HD2      ARG  72  -0.002   1.702 -12.465
  524    HD3  ARG  72           HD1      ARG  72  -1.430   2.709 -12.688
  525    HE   ARG  72           HE       ARG  72   1.310   3.552 -12.488
  526   HH11  ARG  72          HH11      ARG  72  -2.081   4.633 -12.116
  527   HH12  ARG  72          HH12      ARG  72  -1.716   6.277 -12.325
  528   HH21  ARG  72          HH21      ARG  72   1.778   5.786 -12.896
  529   HH22  ARG  72          HH22      ARG  72   0.528   6.957 -12.789
  530    H    GLU  73           HN       GLU  73   0.392  -0.426  -8.379
  531    HA   GLU  73           HA       GLU  73  -2.232  -1.376  -8.625
  532    HB2  GLU  73           HB2      GLU  73   0.273  -2.676  -7.594
  533    HB3  GLU  73           HB1      GLU  73  -1.241  -3.545  -7.795
  534    HG2  GLU  73           HG2      GLU  73  -1.189  -3.345 -10.106
  535    HG3  GLU  73           HG1      GLU  73  -0.006  -2.038 -10.055
  536    H    LEU  74           HN       LEU  74  -0.229  -0.891  -5.764
  537    HA   LEU  74           HA       LEU  74  -2.027  -1.959  -3.869
  538    HB2  LEU  74           HB2      LEU  74   0.378  -1.446  -3.443
  539    HB3  LEU  74           HB1      LEU  74   0.010   0.259  -3.477
  540    HG   LEU  74           HG       LEU  74   0.424  -0.694  -1.202
  541   HD11  LEU  74          HD11      LEU  74  -0.814   1.370  -1.357
  542   HD12  LEU  74          HD12      LEU  74  -1.427   0.374  -0.037
  543   HD13  LEU  74          HD13      LEU  74  -2.323   0.476  -1.553
  544   HD21  LEU  74          HD21      LEU  74  -2.180  -2.137  -1.664
  545   HD22  LEU  74          HD22      LEU  74  -1.320  -2.034  -0.124
  546   HD23  LEU  74          HD23      LEU  74  -0.585  -2.874  -1.489
  547    H    LEU  75           HN       LEU  75  -1.553   1.355  -5.026
  548    HA   LEU  75           HA       LEU  75  -3.556   2.568  -3.500
  549    HB2  LEU  75           HB2      LEU  75  -1.789   3.788  -4.784
  550    HB3  LEU  75           HB1      LEU  75  -2.632   3.343  -6.258
  551    HG   LEU  75           HG       LEU  75  -4.581   4.638  -5.555
  552   HD11  LEU  75          HD11      LEU  75  -4.392   6.174  -3.657
  553   HD12  LEU  75          HD12      LEU  75  -2.845   5.429  -3.229
  554   HD13  LEU  75          HD13      LEU  75  -4.330   4.482  -3.169
  555   HD21  LEU  75          HD21      LEU  75  -1.989   6.174  -5.537
  556   HD22  LEU  75          HD22      LEU  75  -3.588   6.845  -5.876
  557   HD23  LEU  75          HD23      LEU  75  -2.881   5.651  -6.967
  558    H    ASP  76           HN       ASP  76  -3.584   1.406  -6.830
  559    HA   ASP  76           HA       ASP  76  -6.213   2.013  -7.494
  560    HB2  ASP  76           HB2      ASP  76  -4.552   1.459  -9.160
  561    HB3  ASP  76           HB1      ASP  76  -4.430  -0.182  -8.542
  562    H    LEU  77           HN       LEU  77  -4.902  -0.953  -6.097
  563    HA   LEU  77           HA       LEU  77  -7.189  -2.536  -6.203
  564    HB2  LEU  77           HB2      LEU  77  -4.917  -3.324  -5.616
  565    HB3  LEU  77           HB1      LEU  77  -5.049  -2.500  -4.077
  566    HG   LEU  77           HG       LEU  77  -6.941  -4.004  -3.491
  567   HD11  LEU  77          HD11      LEU  77  -6.158  -5.424  -6.031
  568   HD12  LEU  77          HD12      LEU  77  -7.672  -4.569  -5.741
  569   HD13  LEU  77          HD13      LEU  77  -7.291  -6.026  -4.821
  570   HD21  LEU  77          HD21      LEU  77  -4.346  -5.364  -4.216
  571   HD22  LEU  77          HD22      LEU  77  -5.544  -5.967  -3.071
  572   HD23  LEU  77          HD23      LEU  77  -4.673  -4.472  -2.731
  573    H    ILE  78           HN       ILE  78  -6.025  -0.464  -3.544
  574    HA   ILE  78           HA       ILE  78  -8.397  -0.943  -2.002
  575    HB   ILE  78           HB       ILE  78  -6.347   1.238  -1.528
  576   HG12  ILE  78          HG12      ILE  78  -6.354  -1.631  -0.563
  577   HG13  ILE  78          HG11      ILE  78  -5.189  -0.908  -1.657
  578   HG21  ILE  78          HG21      ILE  78  -7.081   1.059   0.820
  579   HG22  ILE  78          HG22      ILE  78  -8.301  -0.132   0.344
  580   HG23  ILE  78          HG23      ILE  78  -8.389   1.528  -0.259
  581   HD11  ILE  78          HD11      ILE  78  -5.572  -0.207   1.249
  582   HD12  ILE  78          HD12      ILE  78  -4.430   0.573   0.163
  583   HD13  ILE  78          HD13      ILE  78  -4.237  -1.135   0.567
  584    H    ASN  79           HN       ASN  79  -7.310   1.448  -4.251
  585    HA   ASN  79           HA       ASN  79  -9.082   3.591  -3.746
  586    HB2  ASN  79           HB2      ASN  79  -7.055   3.153  -5.511
  587    HB3  ASN  79           HB1      ASN  79  -8.435   2.949  -6.573
  588   HD21  ASN  79          HD21      ASN  79  -6.494   5.100  -4.822
  589   HD22  ASN  79          HD22      ASN  79  -7.171   6.578  -5.371
  590    H    GLY  80           HN       GLY  80  -9.246   0.760  -5.809
  591    HA2  GLY  80           HA2      GLY  80 -11.802   1.195  -6.917
  592    HA3  GLY  80           HA1      GLY  80 -10.981  -0.356  -6.809
  593    H    ALA  81           HN       ALA  81 -10.750  -0.570  -4.053
  594    HA   ALA  81           HA       ALA  81 -13.300  -1.524  -3.307
  595    HB1  ALA  81           HB1      ALA  81 -12.288  -1.935  -1.105
  596    HB2  ALA  81           HB2      ALA  81 -10.897  -0.951  -1.557
  597    HB3  ALA  81           HB3      ALA  81 -11.214  -2.465  -2.398
  598    H    LEU  82           HN       LEU  82 -11.487   1.374  -2.477
  599    HA   LEU  82           HA       LEU  82 -13.449   2.412  -0.716
  600    HB2  LEU  82           HB2      LEU  82 -10.989   3.572  -1.939
  601    HB3  LEU  82           HB1      LEU  82 -12.069   4.541  -0.947
  602    HG   LEU  82           HG       LEU  82 -10.746   1.997  -0.024
  603   HD11  LEU  82          HD11      LEU  82 -10.077   4.876   0.562
  604   HD12  LEU  82          HD12      LEU  82  -9.092   3.759  -0.390
  605   HD13  LEU  82          HD13      LEU  82  -9.344   3.468   1.331
  606   HD21  LEU  82          HD21      LEU  82 -11.561   2.656   2.147
  607   HD22  LEU  82          HD22      LEU  82 -12.924   2.543   1.021
  608   HD23  LEU  82          HD23      LEU  82 -12.290   4.112   1.473
  609    H    ALA  83           HN       ALA  83 -13.253   2.437  -4.078
  610    HA   ALA  83           HA       ALA  83 -14.856   4.716  -4.548
  611    HB1  ALA  83           HB1      ALA  83 -13.626   3.590  -6.359
  612    HB2  ALA  83           HB2      ALA  83 -15.346   3.672  -6.729
  613    HB3  ALA  83           HB3      ALA  83 -14.637   2.159  -6.159
  614    H    GLU  84           HN       GLU  84 -15.502   1.375  -3.752
  615    HA   GLU  84           HA       GLU  84 -18.383   1.752  -3.642
  616    HB2  GLU  84           HB2      GLU  84 -16.629  -0.557  -2.732
  617    HB3  GLU  84           HB1      GLU  84 -18.382  -0.586  -2.825
  618    HG2  GLU  84           HG2      GLU  84 -16.537  -0.239  -5.183
  619    HG3  GLU  84           HG1      GLU  84 -17.268  -1.763  -4.688
  620    H    ALA  85           HN       ALA  85 -15.591   1.842  -1.712
  621    HA   ALA  85           HA       ALA  85 -15.011   2.757   0.192
  622    HB1  ALA  85           HB1      ALA  85 -16.798   4.440  -0.114
  623    HB2  ALA  85           HB2      ALA  85 -16.422   4.074   1.566
  624    HB3  ALA  85           HB3      ALA  85 -17.890   3.410   0.829
  625    H    ALA  86           HN       ALA  86 -17.963   0.955   0.698
  626    HA   ALA  86           HA       ALA  86 -16.532  -0.955   2.296
  627    HB1  ALA  86           HB1      ALA  86 -18.819   0.643   3.481
  628    HB2  ALA  86           HB2      ALA  86 -17.135   0.717   4.000
  629    HB3  ALA  86           HB3      ALA  86 -18.062  -0.767   4.223
  630    H28  SXD  87          H28B      SXD  87   2.690 -12.007   1.464
  631   H28A  SXD  87          H28A      SXD  87   3.138 -13.471   2.343
  632    H30  SXD  87          H30A      SXD  87   0.434 -12.006   1.912
  633   H30A  SXD  87          H30C      SXD  87  -0.547 -13.469   1.871
  634   H30B  SXD  87          H30B      SXD  87   0.748 -13.311   3.056
  635    H31  SXD  87          H31A      SXD  87   0.059 -13.812  -0.586
  636   H31A  SXD  87          H31C      SXD  87   0.905 -12.271  -0.444
  637   H31B  SXD  87          H31B      SXD  87   1.759 -13.695  -1.037
  638    H32  SXD  87          H32A      SXD  87   1.635 -15.529   2.302
  639   HO33  SXD  87          H33A      SXD  87   2.123 -16.579   0.053
  640   HN36  SXD  87          H36A      SXD  87  -1.076 -14.994   1.890
  641    H37  SXD  87          H37B      SXD  87  -1.921 -17.462   0.565
  642   H37A  SXD  87          H37A      SXD  87  -2.606 -15.956  -0.038
  643    H38  SXD  87          H38A      SXD  87  -3.561 -15.491   2.167
  644   H38A  SXD  87          H38B      SXD  87  -4.150 -16.986   1.471
  645   HN41  SXD  87          H41A      SXD  87  -1.076 -17.560   2.510
  646    H42  SXD  87          H42B      SXD  87  -1.738 -19.309   4.593
  647   H42A  SXD  87          H42A      SXD  87  -1.129 -17.796   5.267
  648    H43  SXD  87          H43B      SXD  87   0.643 -19.458   4.976
  649   H43A  SXD  87          H43A      SXD  87   0.293 -19.529   3.252
  650    H1   SXD  87           H1A      SXD  87   3.164 -19.089   4.302
  651    H1A  SXD  87           H1B      SXD  87   3.757 -17.671   3.422
  652    H2   SXD  87           H2A      SXD  87   2.708 -18.595   1.401
  653    H2A  SXD  87           H2B      SXD  87   2.115 -19.981   2.330
  654    H4   SXD  87           H4B      SXD  87   5.673 -20.800   3.298
  655    H4A  SXD  87           H4A      SXD  87   4.009 -20.972   3.832
  656    H6   SXD  87           H6C      SXD  87   6.184 -23.572   1.486
  657    H6A  SXD  87           H6A      SXD  87   5.910 -21.944   0.857
  658    H6B  SXD  87           H6B      SXD  87   4.754 -23.236   0.501
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -20.344   9.471   0.750
    2    H2   MET   1           HT2      MET   1 -20.722  10.879  -0.122
    3    H3   MET   1           HT3      MET   1 -19.120  10.550   0.308
    4    HA   MET   1           HA       MET   1 -20.777   9.000  -1.571
    5    HB2  MET   1           HB2      MET   1 -20.043  11.060  -2.584
    6    HB3  MET   1           HB1      MET   1 -18.416  10.848  -1.962
    7    HG2  MET   1           HG2      MET   1 -18.564  10.405  -4.360
    8    HG3  MET   1           HG1      MET   1 -18.044   8.986  -3.460
    9    HE1  MET   1           HE1      MET   1 -18.518   7.487  -5.573
   10    HE2  MET   1           HE2      MET   1 -19.055   8.900  -6.484
   11    HE3  MET   1           HE3      MET   1 -20.055   7.450  -6.436
   12    H    ALA   2           HN       ALA   2 -17.283   9.431  -0.822
   13    HA   ALA   2           HA       ALA   2 -16.909   6.793   0.025
   14    HB1  ALA   2           HB1      ALA   2 -17.242   6.281  -2.367
   15    HB2  ALA   2           HB2      ALA   2 -15.565   6.020  -1.894
   16    HB3  ALA   2           HB3      ALA   2 -16.010   7.467  -2.796
   17    H    THR   3           HN       THR   3 -14.524   6.465   0.190
   18    HA   THR   3           HA       THR   3 -13.113   9.004   0.246
   19    HB   THR   3           HB       THR   3 -13.914   8.685   2.506
   20    HG1  THR   3           HG1      THR   3 -11.863   8.375   3.636
   21   HG21  THR   3          HG21      THR   3 -14.370   6.289   2.517
   22   HG22  THR   3          HG22      THR   3 -13.337   6.704   3.889
   23   HG23  THR   3          HG23      THR   3 -12.644   5.937   2.460
   24    H    LEU   4           HN       LEU   4 -11.648   8.680  -1.239
   25    HA   LEU   4           HA       LEU   4 -10.353   6.079  -1.538
   26    HB2  LEU   4           HB2      LEU   4 -10.151   8.573  -3.228
   27    HB3  LEU   4           HB1      LEU   4  -9.383   7.043  -3.594
   28    HG   LEU   4           HG       LEU   4 -12.360   7.527  -3.490
   29   HD11  LEU   4          HD11      LEU   4 -12.268   7.231  -5.905
   30   HD12  LEU   4          HD12      LEU   4 -10.509   7.112  -5.829
   31   HD13  LEU   4          HD13      LEU   4 -11.313   8.619  -5.386
   32   HD21  LEU   4          HD21      LEU   4 -11.771   5.240  -2.857
   33   HD22  LEU   4          HD22      LEU   4 -10.787   5.083  -4.312
   34   HD23  LEU   4          HD23      LEU   4 -12.537   5.276  -4.447
   35    H    LEU   5           HN       LEU   5  -7.926   6.270  -2.126
   36    HA   LEU   5           HA       LEU   5  -6.670   7.686   0.123
   37    HB2  LEU   5           HB2      LEU   5  -5.484   5.604  -1.690
   38    HB3  LEU   5           HB1      LEU   5  -4.740   6.286  -0.263
   39    HG   LEU   5           HG       LEU   5  -7.026   4.362  -0.448
   40   HD11  LEU   5          HD11      LEU   5  -4.295   4.292   0.759
   41   HD12  LEU   5          HD12      LEU   5  -4.803   3.469  -0.718
   42   HD13  LEU   5          HD13      LEU   5  -5.469   2.978   0.848
   43   HD21  LEU   5          HD21      LEU   5  -7.105   4.423   1.988
   44   HD22  LEU   5          HD22      LEU   5  -7.514   5.997   1.303
   45   HD23  LEU   5          HD23      LEU   5  -5.918   5.728   2.000
   46    H    THR   6           HN       THR   6  -4.861   8.994  -0.225
   47    HA   THR   6           HA       THR   6  -4.522   9.814  -2.985
   48    HB   THR   6           HB       THR   6  -3.534  11.886  -1.989
   49    HG1  THR   6           HG1      THR   6  -3.402  12.120   0.093
   50   HG21  THR   6          HG21      THR   6  -5.677  12.838  -1.242
   51   HG22  THR   6          HG22      THR   6  -6.339  11.212  -1.078
   52   HG23  THR   6          HG23      THR   6  -5.889  11.827  -2.671
   53    H    THR   7           HN       THR   7  -2.075  10.956  -2.964
   54    HA   THR   7           HA       THR   7  -0.296   8.797  -3.024
   55    HB   THR   7           HB       THR   7   1.360  10.797  -3.238
   56    HG1  THR   7           HG1      THR   7   0.465  12.760  -3.399
   57   HG21  THR   7          HG21      THR   7  -0.934  10.462  -5.186
   58   HG22  THR   7          HG22      THR   7   0.529   9.476  -5.136
   59   HG23  THR   7          HG23      THR   7   0.633  11.184  -5.555
   60    H    ASP   8           HN       ASP   8  -0.476  11.625  -0.906
   61    HA   ASP   8           HA       ASP   8   1.635  10.859   0.777
   62    HB2  ASP   8           HB2      ASP   8   0.965  13.167   0.683
   63    HB3  ASP   8           HB1      ASP   8  -0.636  12.767   1.295
   64    H    ASP   9           HN       ASP   9  -1.823  10.181   0.985
   65    HA   ASP   9           HA       ASP   9  -1.733   9.185   3.638
   66    HB2  ASP   9           HB2      ASP   9  -3.899   9.696   2.368
   67    HB3  ASP   9           HB1      ASP   9  -3.633   8.175   1.531
   68    H    LEU  10           HN       LEU  10  -1.376   7.651   0.503
   69    HA   LEU  10           HA       LEU  10  -1.016   5.025   1.460
   70    HB2  LEU  10           HB2      LEU  10  -1.565   5.564  -0.877
   71    HB3  LEU  10           HB1      LEU  10   0.001   6.321  -1.075
   72    HG   LEU  10           HG       LEU  10   1.078   4.123  -0.693
   73   HD11  LEU  10          HD11      LEU  10  -1.750   3.096  -0.708
   74   HD12  LEU  10          HD12      LEU  10  -0.641   3.098   0.666
   75   HD13  LEU  10          HD13      LEU  10  -0.293   2.105  -0.748
   76   HD21  LEU  10          HD21      LEU  10   0.634   4.889  -2.960
   77   HD22  LEU  10          HD22      LEU  10  -0.979   4.177  -2.897
   78   HD23  LEU  10          HD23      LEU  10   0.444   3.139  -2.847
   79    H    ARG  11           HN       ARG  11   1.173   7.688   0.791
   80    HA   ARG  11           HA       ARG  11   3.630   6.469   1.239
   81    HB2  ARG  11           HB2      ARG  11   3.435   8.763   0.394
   82    HB3  ARG  11           HB1      ARG  11   2.801   9.292   1.949
   83    HG2  ARG  11           HG2      ARG  11   4.903   8.733   3.021
   84    HG3  ARG  11           HG1      ARG  11   5.542   8.149   1.486
   85    HD2  ARG  11           HD2      ARG  11   6.413  10.314   1.805
   86    HD3  ARG  11           HD1      ARG  11   5.166  10.447   0.574
   87    HE   ARG  11           HE       ARG  11   3.714  11.308   2.466
   88   HH11  ARG  11          HH11      ARG  11   7.243  11.593   2.528
   89   HH12  ARG  11          HH12      ARG  11   7.266  13.052   3.379
   90   HH21  ARG  11          HH21      ARG  11   3.712  13.246   3.656
   91   HH22  ARG  11          HH22      ARG  11   5.193  14.010   4.115
   92    H    ARG  12           HN       ARG  12   1.441   8.004   3.540
   93    HA   ARG  12           HA       ARG  12   3.044   7.674   5.814
   94    HB2  ARG  12           HB2      ARG  12   0.039   7.904   5.630
   95    HB3  ARG  12           HB1      ARG  12   0.949   8.006   7.133
   96    HG2  ARG  12           HG2      ARG  12   2.165   9.949   6.234
   97    HG3  ARG  12           HG1      ARG  12   1.187   9.854   4.773
   98    HD2  ARG  12           HD2      ARG  12   0.148  10.317   7.559
   99    HD3  ARG  12           HD1      ARG  12   0.386  11.562   6.339
  100    HE   ARG  12           HE       ARG  12  -1.366   9.392   5.572
  101   HH11  ARG  12          HH11      ARG  12  -1.122  12.638   6.926
  102   HH12  ARG  12          HH12      ARG  12  -2.753  13.042   6.689
  103   HH21  ARG  12          HH21      ARG  12  -3.628   9.911   5.220
  104   HH22  ARG  12          HH22      ARG  12  -4.234  11.427   5.686
  105    H    ALA  13           HN       ALA  13   0.801   5.469   4.299
  106    HA   ALA  13           HA       ALA  13   0.877   3.530   6.394
  107    HB1  ALA  13           HB1      ALA  13   0.217   3.179   3.469
  108    HB2  ALA  13           HB2      ALA  13  -0.935   3.576   4.743
  109    HB3  ALA  13           HB3      ALA  13  -0.115   2.013   4.749
  110    H    LEU  14           HN       LEU  14   2.658   4.045   3.395
  111    HA   LEU  14           HA       LEU  14   4.249   1.713   3.555
  112    HB2  LEU  14           HB2      LEU  14   4.759   4.315   2.115
  113    HB3  LEU  14           HB1      LEU  14   5.745   2.879   1.935
  114    HG   LEU  14           HG       LEU  14   2.832   3.121   1.169
  115   HD11  LEU  14          HD11      LEU  14   5.321   2.952  -0.516
  116   HD12  LEU  14          HD12      LEU  14   4.302   4.377  -0.301
  117   HD13  LEU  14          HD13      LEU  14   3.662   2.952  -1.118
  118   HD21  LEU  14          HD21      LEU  14   3.139   0.909   0.159
  119   HD22  LEU  14          HD22      LEU  14   3.410   0.858   1.902
  120   HD23  LEU  14          HD23      LEU  14   4.783   0.846   0.796
  121    H    VAL  15           HN       VAL  15   4.425   4.702   5.147
  122    HA   VAL  15           HA       VAL  15   7.134   4.444   6.019
  123    HB   VAL  15           HB       VAL  15   4.827   6.032   7.212
  124   HG11  VAL  15          HG11      VAL  15   6.525   5.553   8.900
  125   HG12  VAL  15          HG12      VAL  15   6.541   7.259   8.458
  126   HG13  VAL  15          HG13      VAL  15   7.779   6.170   7.826
  127   HG21  VAL  15          HG21      VAL  15   5.468   6.784   4.982
  128   HG22  VAL  15          HG22      VAL  15   7.153   6.900   5.495
  129   HG23  VAL  15          HG23      VAL  15   5.937   7.966   6.204
  130    H    GLU  16           HN       GLU  16   3.981   3.849   7.564
  131    HA   GLU  16           HA       GLU  16   5.065   2.821   9.962
  132    HB2  GLU  16           HB2      GLU  16   2.289   2.484   8.853
  133    HB3  GLU  16           HB1      GLU  16   2.782   2.109  10.498
  134    HG2  GLU  16           HG2      GLU  16   2.730   4.800   9.175
  135    HG3  GLU  16           HG1      GLU  16   1.703   4.223  10.487
  136    H    SER  17           HN       SER  17   4.326   1.262   6.961
  137    HA   SER  17           HA       SER  17   4.254  -1.359   8.003
  138    HB2  SER  17           HB2      SER  17   3.388  -0.657   5.754
  139    HB3  SER  17           HB1      SER  17   5.055  -0.471   5.219
  140    HG   SER  17           HG       SER  17   3.945  -2.448   4.739
  141    H    ALA  18           HN       ALA  18   6.818   0.811   7.065
  142    HA   ALA  18           HA       ALA  18   8.871  -1.197   7.354
  143    HB1  ALA  18           HB1      ALA  18  10.428   0.663   6.925
  144    HB2  ALA  18           HB2      ALA  18   9.082   1.797   6.994
  145    HB3  ALA  18           HB3      ALA  18   9.159   0.599   5.703
  146    H    GLY  19           HN       GLY  19   7.708   1.685   9.041
  147    HA2  GLY  19           HA2      GLY  19   7.437   1.395  11.462
  148    HA3  GLY  19           HA1      GLY  19   9.044   0.673  11.453
  149    H    GLU  20           HN       GLU  20  10.571   1.963  12.097
  150    HA   GLU  20           HA       GLU  20  10.183   4.848  11.718
  151    HB2  GLU  20           HB2      GLU  20  11.651   3.405  13.931
  152    HB3  GLU  20           HB1      GLU  20  11.578   5.152  13.751
  153    HG2  GLU  20           HG2      GLU  20   9.196   5.146  14.100
  154    HG3  GLU  20           HG1      GLU  20   9.169   3.385  14.113
  155    H    THR  21           HN       THR  21  11.571   2.563  10.267
  156    HA   THR  21           HA       THR  21  13.819   4.192   9.380
  157    HB   THR  21           HB       THR  21  14.039   1.188   9.828
  158    HG1  THR  21           HG1      THR  21  14.321   3.283  11.543
  159   HG21  THR  21          HG21      THR  21  16.445   1.595   9.483
  160   HG22  THR  21          HG22      THR  21  16.119   3.311   9.243
  161   HG23  THR  21          HG23      THR  21  15.508   2.130   8.084
  162    H    ASP  22           HN       ASP  22  12.344   4.654   7.665
  163    HA   ASP  22           HA       ASP  22  11.176   2.558   6.142
  164    HB2  ASP  22           HB2      ASP  22  10.541   4.335   4.453
  165    HB3  ASP  22           HB1      ASP  22   9.968   4.631   6.083
  166    H    GLY  23           HN       GLY  23  13.602   4.893   5.021
  167    HA2  GLY  23           HA2      GLY  23  15.651   4.281   4.006
  168    HA3  GLY  23           HA1      GLY  23  14.990   2.668   3.723
  169    H    THR  24           HN       THR  24  12.706   4.990   3.002
  170    HA   THR  24           HA       THR  24  13.507   5.396   0.294
  171    HB   THR  24           HB       THR  24  12.728   3.102   0.104
  172    HG1  THR  24           HG1      THR  24  10.540   4.518  -0.903
  173   HG21  THR  24          HG21      THR  24  10.113   4.035   1.314
  174   HG22  THR  24          HG22      THR  24  11.278   2.951   2.078
  175   HG23  THR  24          HG23      THR  24  10.405   2.433   0.633
  176    H    ASP  25           HN       ASP  25  12.752   7.298  -0.312
  177    HA   ASP  25           HA       ASP  25  10.703   8.605   1.290
  178    HB2  ASP  25           HB2      ASP  25  12.684   9.940   0.818
  179    HB3  ASP  25           HB1      ASP  25  12.489   9.664  -0.911
  180    H    LEU  26           HN       LEU  26   8.713   9.108   0.545
  181    HA   LEU  26           HA       LEU  26   8.103   8.250  -2.198
  182    HB2  LEU  26           HB2      LEU  26   6.331   7.954   0.242
  183    HB3  LEU  26           HB1      LEU  26   5.847   7.600  -1.394
  184    HG   LEU  26           HG       LEU  26   6.173   5.556  -0.421
  185   HD11  LEU  26          HD11      LEU  26   7.167   5.569  -2.564
  186   HD12  LEU  26          HD12      LEU  26   8.083   4.497  -1.503
  187   HD13  LEU  26          HD13      LEU  26   8.711   6.097  -1.899
  188   HD21  LEU  26          HD21      LEU  26   8.779   6.490   0.776
  189   HD22  LEU  26          HD22      LEU  26   8.146   4.851   0.889
  190   HD23  LEU  26          HD23      LEU  26   7.270   6.188   1.638
  191    H    SER  27           HN       SER  27   8.811  10.918  -1.204
  192    HA   SER  27           HA       SER  27   6.401  12.432  -1.015
  193    HB2  SER  27           HB2      SER  27   9.166  13.270  -1.666
  194    HB3  SER  27           HB1      SER  27   7.873  14.385  -1.203
  195    HG   SER  27           HG       SER  27   9.364  12.572   0.335
  196    H    GLY  28           HN       GLY  28   5.171  13.223  -2.626
  197    HA2  GLY  28           HA2      GLY  28   4.729  14.090  -4.735
  198    HA3  GLY  28           HA1      GLY  28   6.299  13.515  -5.283
  199    H    ASP  29           HN       ASP  29   5.543  12.489  -7.066
  200    HA   ASP  29           HA       ASP  29   3.537  10.387  -6.742
  201    HB2  ASP  29           HB2      ASP  29   3.525  11.888  -8.775
  202    HB3  ASP  29           HB1      ASP  29   5.040  11.135  -9.260
  203    H    PHE  30           HN       PHE  30   4.141   8.483  -6.213
  204    HA   PHE  30           HA       PHE  30   6.839   7.521  -6.885
  205    HB2  PHE  30           HB2      PHE  30   6.833   6.351  -4.702
  206    HB3  PHE  30           HB1      PHE  30   6.731   8.095  -4.519
  207    HD1  PHE  30           HD2      PHE  30   4.542   9.136  -3.893
  208    HD2  PHE  30           HD1      PHE  30   5.118   4.923  -3.896
  209    HE1  PHE  30           HE2      PHE  30   2.549   8.860  -2.492
  210    HE2  PHE  30           HE1      PHE  30   3.120   4.648  -2.501
  211    HZ   PHE  30           HZ       PHE  30   1.837   6.626  -1.793
  212    H    LEU  31           HN       LEU  31   4.117   7.168  -8.157
  213    HA   LEU  31           HA       LEU  31   3.417   4.483  -7.383
  214    HB2  LEU  31           HB2      LEU  31   2.157   6.301  -9.415
  215    HB3  LEU  31           HB1      LEU  31   1.590   4.687  -9.056
  216    HG   LEU  31           HG       LEU  31   0.145   6.025  -7.896
  217   HD11  LEU  31          HD11      LEU  31   0.551   5.738  -5.515
  218   HD12  LEU  31          HD12      LEU  31   2.218   5.302  -5.874
  219   HD13  LEU  31          HD13      LEU  31   0.900   4.288  -6.461
  220   HD21  LEU  31          HD21      LEU  31   2.437   7.726  -6.942
  221   HD22  LEU  31          HD22      LEU  31   0.747   7.942  -6.482
  222   HD23  LEU  31          HD23      LEU  31   1.242   8.170  -8.159
  223    H    ASP  32           HN       ASP  32   5.496   5.871  -9.569
  224    HA   ASP  32           HA       ASP  32   5.344   3.910 -11.696
  225    HB2  ASP  32           HB2      ASP  32   7.228   5.075 -12.639
  226    HB3  ASP  32           HB1      ASP  32   6.104   6.280 -12.024
  227    H    LEU  33           HN       LEU  33   6.646   4.069  -8.645
  228    HA   LEU  33           HA       LEU  33   9.084   2.636  -8.999
  229    HB2  LEU  33           HB2      LEU  33   7.402   3.116  -6.574
  230    HB3  LEU  33           HB1      LEU  33   9.033   2.473  -6.545
  231    HG   LEU  33           HG       LEU  33   8.252   5.257  -7.445
  232   HD11  LEU  33          HD11      LEU  33   9.435   6.000  -5.438
  233   HD12  LEU  33          HD12      LEU  33   9.688   4.317  -4.969
  234   HD13  LEU  33          HD13      LEU  33   8.054   4.977  -5.042
  235   HD21  LEU  33          HD21      LEU  33  10.196   4.430  -8.664
  236   HD22  LEU  33          HD22      LEU  33  10.975   3.994  -7.144
  237   HD23  LEU  33          HD23      LEU  33  10.666   5.689  -7.521
  238    H    ARG  34           HN       ARG  34   9.412   0.577  -7.884
  239    HA   ARG  34           HA       ARG  34   7.013  -1.145  -7.935
  240    HB2  ARG  34           HB2      ARG  34   9.888  -1.929  -8.421
  241    HB3  ARG  34           HB1      ARG  34   8.553  -3.055  -8.288
  242    HG2  ARG  34           HG2      ARG  34   7.545  -1.910 -10.291
  243    HG3  ARG  34           HG1      ARG  34   9.085  -1.056 -10.463
  244    HD2  ARG  34           HD2      ARG  34   9.052  -3.065 -11.848
  245    HD3  ARG  34           HD1      ARG  34  10.256  -3.210 -10.558
  246    HE   ARG  34           HE       ARG  34   7.565  -4.411 -10.436
  247   HH11  ARG  34          HH11      ARG  34  11.101  -4.704  -9.854
  248   HH12  ARG  34          HH12      ARG  34  10.926  -6.208  -9.076
  249   HH21  ARG  34          HH21      ARG  34   7.452  -6.471  -9.411
  250   HH22  ARG  34          HH22      ARG  34   8.884  -7.198  -8.774
  251    H    PHE  35           HN       PHE  35   6.851  -2.701  -6.221
  252    HA   PHE  35           HA       PHE  35   7.795  -1.649  -3.816
  253    HB2  PHE  35           HB2      PHE  35   6.366  -4.194  -4.443
  254    HB3  PHE  35           HB1      PHE  35   7.001  -3.902  -2.826
  255    HD1  PHE  35           HD1      PHE  35   6.476  -1.367  -2.022
  256    HD2  PHE  35           HD2      PHE  35   4.145  -3.690  -4.708
  257    HE1  PHE  35           HE1      PHE  35   4.493  -0.052  -1.421
  258    HE2  PHE  35           HE2      PHE  35   2.160  -2.375  -4.113
  259    HZ   PHE  35           HZ       PHE  35   2.332  -0.556  -2.467
  260    H    GLU  36           HN       GLU  36   9.057  -4.352  -5.697
  261    HA   GLU  36           HA       GLU  36  10.936  -5.150  -3.764
  262    HB2  GLU  36           HB2      GLU  36  11.114  -5.371  -6.770
  263    HB3  GLU  36           HB1      GLU  36  12.164  -6.203  -5.631
  264    HG2  GLU  36           HG2      GLU  36  10.180  -7.347  -4.707
  265    HG3  GLU  36           HG1      GLU  36   9.200  -6.571  -5.951
  266    H    ASP  37           HN       ASP  37  10.892  -2.497  -5.940
  267    HA   ASP  37           HA       ASP  37  13.712  -1.946  -5.815
  268    HB2  ASP  37           HB2      ASP  37  12.453  -1.314  -7.806
  269    HB3  ASP  37           HB1      ASP  37  11.398  -0.291  -6.845
  270    H    ILE  38           HN       ILE  38  10.885  -1.101  -3.991
  271    HA   ILE  38           HA       ILE  38  12.477   0.879  -2.563
  272    HB   ILE  38           HB       ILE  38  10.409   1.739  -1.546
  273   HG12  ILE  38          HG12      ILE  38   8.977  -0.211  -3.374
  274   HG13  ILE  38          HG11      ILE  38   9.074  -0.350  -1.624
  275   HG21  ILE  38          HG21      ILE  38   9.482   2.774  -3.573
  276   HG22  ILE  38          HG22      ILE  38  10.359   1.597  -4.553
  277   HG23  ILE  38          HG23      ILE  38  11.245   2.759  -3.567
  278   HD11  ILE  38          HD11      ILE  38   7.725   1.872  -3.147
  279   HD12  ILE  38          HD12      ILE  38   7.823   1.740  -1.393
  280   HD13  ILE  38          HD13      ILE  38   6.925   0.535  -2.321
  281    H    GLY  39           HN       GLY  39  12.413  -2.120  -2.308
  282    HA2  GLY  39           HA2      GLY  39  13.069  -3.497  -0.583
  283    HA3  GLY  39           HA1      GLY  39  12.989  -2.109   0.486
  284    H    TYR  40           HN       TYR  40  10.362  -3.428  -1.443
  285    HA   TYR  40           HA       TYR  40   9.101  -4.318   1.020
  286    HB2  TYR  40           HB2      TYR  40   8.053  -2.502  -1.063
  287    HB3  TYR  40           HB1      TYR  40   6.935  -3.684  -0.390
  288    HD1  TYR  40           HD1      TYR  40   9.045  -0.760   0.389
  289    HD2  TYR  40           HD2      TYR  40   6.205  -3.567   1.826
  290    HE1  TYR  40           HE1      TYR  40   8.710   0.609   2.405
  291    HE2  TYR  40           HE2      TYR  40   5.852  -2.234   3.815
  292    HH   TYR  40           HH       TYR  40   7.018   0.950   4.162
  293    H    ASP  41           HN       ASP  41   7.939  -6.136   0.953
  294    HA   ASP  41           HA       ASP  41   7.780  -7.537  -1.596
  295    HB2  ASP  41           HB2      ASP  41   9.760  -8.238  -0.053
  296    HB3  ASP  41           HB1      ASP  41   8.514  -9.011   0.924
  297    H    SER  42           HN       SER  42   6.452  -9.665  -0.882
  298    HA   SER  42           HA       SER  42   3.906  -8.507  -0.655
  299    HB2  SER  42           HB2      SER  42   3.194 -10.986  -0.610
  300    HB3  SER  42           HB1      SER  42   3.873 -10.267  -2.070
  301    H    LEU  43           HN       LEU  43   5.683 -10.324   1.800
  302    HA   LEU  43           HA       LEU  43   3.479 -10.607   3.539
  303    HB2  LEU  43           HB2      LEU  43   5.590 -11.922   3.688
  304    HB3  LEU  43           HB1      LEU  43   6.413 -10.486   4.252
  305    HG   LEU  43           HG       LEU  43   4.960 -10.472   6.257
  306   HD11  LEU  43          HD11      LEU  43   3.966 -13.108   5.177
  307   HD12  LEU  43          HD12      LEU  43   3.026 -11.622   5.327
  308   HD13  LEU  43          HD13      LEU  43   3.609 -12.446   6.773
  309   HD21  LEU  43          HD21      LEU  43   7.152 -11.525   6.321
  310   HD22  LEU  43          HD22      LEU  43   6.452 -13.043   5.762
  311   HD23  LEU  43          HD23      LEU  43   6.008 -12.395   7.339
  312    H    ALA  44           HN       ALA  44   5.752  -8.081   2.962
  313    HA   ALA  44           HA       ALA  44   4.932  -6.481   5.222
  314    HB1  ALA  44           HB1      ALA  44   6.507  -5.723   2.754
  315    HB2  ALA  44           HB2      ALA  44   7.199  -6.281   4.278
  316    HB3  ALA  44           HB3      ALA  44   6.331  -4.747   4.212
  317    H    LEU  45           HN       LEU  45   4.006  -6.917   1.931
  318    HA   LEU  45           HA       LEU  45   2.553  -4.490   1.709
  319    HB2  LEU  45           HB2      LEU  45   2.381  -6.996   0.064
  320    HB3  LEU  45           HB1      LEU  45   1.624  -5.466  -0.348
  321    HG   LEU  45           HG       LEU  45   4.577  -5.981  -0.105
  322   HD11  LEU  45          HD11      LEU  45   2.859  -5.399  -2.492
  323   HD12  LEU  45          HD12      LEU  45   3.634  -6.943  -2.102
  324   HD13  LEU  45          HD13      LEU  45   4.619  -5.524  -2.481
  325   HD21  LEU  45          HD21      LEU  45   4.019  -3.752   0.661
  326   HD22  LEU  45          HD22      LEU  45   3.091  -3.462  -0.810
  327   HD23  LEU  45          HD23      LEU  45   4.837  -3.686  -0.901
  328    H    MET  46           HN       MET  46   1.614  -7.785   2.541
  329    HA   MET  46           HA       MET  46  -1.124  -7.103   2.755
  330    HB2  MET  46           HB2      MET  46  -1.412  -9.246   4.030
  331    HB3  MET  46           HB1      MET  46  -0.604  -9.441   2.490
  332    HG2  MET  46           HG2      MET  46   0.510 -10.863   3.995
  333    HG3  MET  46           HG1      MET  46   1.563  -9.478   3.774
  334    HE1  MET  46           HE1      MET  46  -1.029 -10.150   7.539
  335    HE2  MET  46           HE2      MET  46  -1.006 -11.258   6.170
  336    HE3  MET  46           HE3      MET  46  -1.701  -9.647   5.989
  337    H    GLU  47           HN       GLU  47   1.519  -6.804   4.904
  338    HA   GLU  47           HA       GLU  47   0.098  -6.062   7.245
  339    HB2  GLU  47           HB2      GLU  47   2.853  -5.741   6.208
  340    HB3  GLU  47           HB1      GLU  47   2.447  -4.945   7.722
  341    HG2  GLU  47           HG2      GLU  47   2.324  -7.886   7.090
  342    HG3  GLU  47           HG1      GLU  47   3.578  -7.073   8.026
  343    H    THR  48           HN       THR  48   1.394  -4.325   4.505
  344    HA   THR  48           HA       THR  48   0.953  -1.672   5.380
  345    HB   THR  48           HB       THR  48   0.892  -2.711   2.520
  346    HG1  THR  48           HG1      THR  48   2.816  -3.353   3.626
  347   HG21  THR  48          HG21      THR  48   0.145  -0.381   2.778
  348   HG22  THR  48          HG22      THR  48   1.703  -0.458   1.952
  349   HG23  THR  48          HG23      THR  48   1.628   0.000   3.655
  350    H    ALA  49           HN       ALA  49  -0.966  -3.886   3.331
  351    HA   ALA  49           HA       ALA  49  -3.137  -2.216   2.904
  352    HB1  ALA  49           HB1      ALA  49  -2.682  -4.220   1.575
  353    HB2  ALA  49           HB2      ALA  49  -4.316  -4.239   2.234
  354    HB3  ALA  49           HB3      ALA  49  -3.054  -5.231   2.970
  355    H    ALA  50           HN       ALA  50  -2.505  -4.650   5.404
  356    HA   ALA  50           HA       ALA  50  -4.891  -4.864   6.709
  357    HB1  ALA  50           HB1      ALA  50  -3.656  -5.434   8.711
  358    HB2  ALA  50           HB2      ALA  50  -2.212  -4.660   8.064
  359    HB3  ALA  50           HB3      ALA  50  -2.853  -6.115   7.293
  360    H    ARG  51           HN       ARG  51  -2.480  -2.365   7.247
  361    HA   ARG  51           HA       ARG  51  -3.788  -1.062   9.361
  362    HB2  ARG  51           HB2      ARG  51  -1.458  -0.639   8.942
  363    HB3  ARG  51           HB1      ARG  51  -1.813  -0.015   7.338
  364    HG2  ARG  51           HG2      ARG  51  -2.907   1.911   8.277
  365    HG3  ARG  51           HG1      ARG  51  -2.726   1.256   9.906
  366    HD2  ARG  51           HD2      ARG  51  -0.332   1.386   9.727
  367    HD3  ARG  51           HD1      ARG  51  -0.452   1.942   8.061
  368    HE   ARG  51           HE       ARG  51  -1.316   4.005   8.804
  369   HH11  ARG  51          HH11      ARG  51  -0.394   1.937  11.553
  370   HH12  ARG  51          HH12      ARG  51  -0.145   3.218  12.621
  371   HH21  ARG  51          HH21      ARG  51  -1.034   5.781  10.293
  372   HH22  ARG  51          HH22      ARG  51  -0.539   5.506  11.886
  373    H    LEU  52           HN       LEU  52  -3.812  -0.384   5.893
  374    HA   LEU  52           HA       LEU  52  -5.616   1.797   6.236
  375    HB2  LEU  52           HB2      LEU  52  -4.754   0.376   3.723
  376    HB3  LEU  52           HB1      LEU  52  -5.714   1.845   3.761
  377    HG   LEU  52           HG       LEU  52  -2.893   1.574   4.811
  378   HD11  LEU  52          HD11      LEU  52  -2.985   1.493   2.384
  379   HD12  LEU  52          HD12      LEU  52  -2.281   3.010   2.951
  380   HD13  LEU  52          HD13      LEU  52  -3.946   2.973   2.372
  381   HD21  LEU  52          HD21      LEU  52  -4.182   3.211   6.080
  382   HD22  LEU  52          HD22      LEU  52  -4.675   3.999   4.580
  383   HD23  LEU  52          HD23      LEU  52  -2.980   4.011   5.065
  384    H    GLU  53           HN       GLU  53  -5.971  -1.593   5.471
  385    HA   GLU  53           HA       GLU  53  -8.651  -1.705   4.709
  386    HB2  GLU  53           HB2      GLU  53  -6.961  -3.608   6.338
  387    HB3  GLU  53           HB1      GLU  53  -8.623  -3.986   5.902
  388    HG2  GLU  53           HG2      GLU  53  -7.904  -3.923   3.520
  389    HG3  GLU  53           HG1      GLU  53  -6.263  -3.600   4.074
  390    H    SER  54           HN       SER  54  -7.251  -2.114   7.939
  391    HA   SER  54           HA       SER  54  -9.680  -2.238   9.328
  392    HB2  SER  54           HB2      SER  54  -7.491  -3.082  10.154
  393    HB3  SER  54           HB1      SER  54  -6.947  -1.420  10.353
  394    HG   SER  54           HG       SER  54  -8.647  -2.957  11.861
  395    H    ARG  55           HN       ARG  55  -7.535   0.429   8.557
  396    HA   ARG  55           HA       ARG  55  -8.709   2.383  10.200
  397    HB2  ARG  55           HB2      ARG  55  -6.442   2.481   9.202
  398    HB3  ARG  55           HB1      ARG  55  -7.176   2.756   7.635
  399    HG2  ARG  55           HG2      ARG  55  -8.089   4.863   8.426
  400    HG3  ARG  55           HG1      ARG  55  -7.375   4.581  10.018
  401    HD2  ARG  55           HD2      ARG  55  -5.146   4.486   8.974
  402    HD3  ARG  55           HD1      ARG  55  -5.879   4.853   7.413
  403    HE   ARG  55           HE       ARG  55  -6.162   6.682   9.678
  404   HH11  ARG  55          HH11      ARG  55  -5.034   6.061   6.379
  405   HH12  ARG  55          HH12      ARG  55  -4.646   7.657   6.010
  406   HH21  ARG  55          HH21      ARG  55  -5.584   8.910   9.259
  407   HH22  ARG  55          HH22      ARG  55  -4.984   9.379   7.764
  408    H    TYR  56           HN       TYR  56  -9.133   1.784   6.684
  409    HA   TYR  56           HA       TYR  56 -11.243   3.757   6.640
  410    HB2  TYR  56           HB2      TYR  56  -9.946   2.155   4.453
  411    HB3  TYR  56           HB1      TYR  56 -11.330   3.210   4.168
  412    HD1  TYR  56           HD1      TYR  56  -7.780   3.131   5.194
  413    HD2  TYR  56           HD2      TYR  56 -11.097   5.569   4.125
  414    HE1  TYR  56           HE1      TYR  56  -6.301   5.055   5.051
  415    HE2  TYR  56           HE2      TYR  56  -9.623   7.521   3.963
  416    HH   TYR  56           HH       TYR  56  -6.196   7.214   4.020
  417    H    GLY  57           HN       GLY  57 -11.164   0.501   7.281
  418    HA2  GLY  57           HA2      GLY  57 -12.967  -0.822   7.864
  419    HA3  GLY  57           HA1      GLY  57 -14.046   0.428   7.261
  420    H    VAL  58           HN       VAL  58 -11.463  -1.395   5.721
  421    HA   VAL  58           HA       VAL  58 -13.407  -2.626   3.932
  422    HB   VAL  58           HB       VAL  58 -12.024  -2.292   1.944
  423   HG11  VAL  58          HG11      VAL  58 -12.183   0.090   1.607
  424   HG12  VAL  58          HG12      VAL  58 -12.306   0.303   3.351
  425   HG13  VAL  58          HG13      VAL  58 -13.618  -0.511   2.473
  426   HG21  VAL  58          HG21      VAL  58 -10.129  -0.705   3.670
  427   HG22  VAL  58          HG22      VAL  58 -10.010  -0.920   1.921
  428   HG23  VAL  58          HG23      VAL  58  -9.815  -2.308   2.992
  429    H    SER  59           HN       SER  59 -12.064  -4.425   2.605
  430    HA   SER  59           HA       SER  59  -9.828  -5.334   4.105
  431    HB2  SER  59           HB2      SER  59 -11.817  -6.349   5.285
  432    HB3  SER  59           HB1      SER  59 -12.206  -7.189   3.781
  433    HG   SER  59           HG       SER  59  -9.605  -7.366   4.767
  434    H    ILE  60           HN       ILE  60  -8.516  -6.538   2.927
  435    HA   ILE  60           HA       ILE  60  -9.257  -7.189   0.158
  436    HB   ILE  60           HB       ILE  60  -6.665  -5.940   1.156
  437   HG12  ILE  60          HG12      ILE  60  -8.756  -4.816  -0.721
  438   HG13  ILE  60          HG11      ILE  60  -8.516  -4.328   0.949
  439   HG21  ILE  60          HG21      ILE  60  -5.949  -5.932  -1.189
  440   HG22  ILE  60          HG22      ILE  60  -7.412  -6.813  -1.629
  441   HG23  ILE  60          HG23      ILE  60  -6.211  -7.569  -0.584
  442   HD11  ILE  60          HD11      ILE  60  -7.547  -2.735  -0.598
  443   HD12  ILE  60          HD12      ILE  60  -6.531  -4.002  -1.282
  444   HD13  ILE  60          HD13      ILE  60  -6.302  -3.495   0.391
  445    HA   PRO  61           HA       PRO  61  -7.838 -11.214   1.547
  446    HB2  PRO  61           HB2      PRO  61  -6.882 -11.406  -1.275
  447    HB3  PRO  61           HB1      PRO  61  -7.850 -12.554  -0.345
  448    HG2  PRO  61           HG2      PRO  61  -9.004 -11.042  -2.183
  449    HG3  PRO  61           HG1      PRO  61  -9.807 -11.334  -0.630
  450    HD2  PRO  61           HD2      PRO  61  -8.364  -8.898  -1.585
  451    HD3  PRO  61           HD1      PRO  61  -9.829  -9.025  -0.589
  452    H    ASP  62           HN       ASP  62  -6.003 -11.712   2.524
  453    HA   ASP  62           HA       ASP  62  -3.663 -10.253   2.690
  454    HB2  ASP  62           HB2      ASP  62  -3.870 -13.269   2.956
  455    HB3  ASP  62           HB1      ASP  62  -2.594 -12.264   3.617
  456    H    ASP  63           HN       ASP  63  -4.444 -12.976   0.726
  457    HA   ASP  63           HA       ASP  63  -2.051 -13.491  -0.589
  458    HB2  ASP  63           HB2      ASP  63  -4.912 -13.888  -1.375
  459    HB3  ASP  63           HB1      ASP  63  -3.585 -14.380  -2.420
  460    H    VAL  64           HN       VAL  64  -4.712 -11.369  -1.552
  461    HA   VAL  64           HA       VAL  64  -3.496 -10.730  -4.060
  462    HB   VAL  64           HB       VAL  64  -5.860  -9.389  -2.704
  463   HG11  VAL  64          HG11      VAL  64  -4.880  -7.960  -4.429
  464   HG12  VAL  64          HG12      VAL  64  -6.448  -8.580  -4.943
  465   HG13  VAL  64          HG13      VAL  64  -4.965  -9.286  -5.588
  466   HG21  VAL  64          HG21      VAL  64  -5.749 -11.555  -4.783
  467   HG22  VAL  64          HG22      VAL  64  -7.222 -10.776  -4.192
  468   HG23  VAL  64          HG23      VAL  64  -6.235 -11.754  -3.100
  469    H    ALA  65           HN       ALA  65  -3.495  -9.342  -0.884
  470    HA   ALA  65           HA       ALA  65  -2.545  -6.769  -1.500
  471    HB1  ALA  65           HB1      ALA  65  -3.398  -7.407   0.715
  472    HB2  ALA  65           HB2      ALA  65  -1.770  -6.702   0.790
  473    HB3  ALA  65           HB3      ALA  65  -1.976  -8.442   0.924
  474    H    GLY  66           HN       GLY  66  -1.007  -9.863  -1.323
  475    HA2  GLY  66           HA2      GLY  66   1.629  -8.645  -1.481
  476    HA3  GLY  66           HA1      GLY  66   1.285 -10.351  -1.257
  477    H    ARG  67           HN       ARG  67  -0.572  -8.897  -3.712
  478    HA   ARG  67           HA       ARG  67   1.214 -10.116  -5.711
  479    HB2  ARG  67           HB2      ARG  67  -1.771  -9.677  -5.855
  480    HB3  ARG  67           HB1      ARG  67  -0.809 -10.354  -7.144
  481    HG2  ARG  67           HG2      ARG  67  -1.227 -11.598  -4.428
  482    HG3  ARG  67           HG1      ARG  67  -2.081 -12.041  -5.898
  483    HD2  ARG  67           HD2      ARG  67  -0.402 -13.683  -5.568
  484    HD3  ARG  67           HD1      ARG  67   0.167 -12.659  -6.877
  485    HE   ARG  67           HE       ARG  67   1.407 -11.539  -4.805
  486   HH11  ARG  67          HH11      ARG  67   1.022 -14.990  -5.497
  487   HH12  ARG  67          HH12      ARG  67   2.551 -15.438  -4.891
  488   HH21  ARG  67          HH21      ARG  67   3.491 -12.135  -3.924
  489   HH22  ARG  67          HH22      ARG  67   3.981 -13.753  -3.915
  490    H    VAL  68           HN       VAL  68   0.525  -7.216  -4.515
  491    HA   VAL  68           HA       VAL  68   0.165  -5.792  -7.001
  492    HB   VAL  68           HB       VAL  68   0.241  -3.728  -5.567
  493   HG11  VAL  68          HG11      VAL  68  -1.902  -4.157  -4.452
  494   HG12  VAL  68          HG12      VAL  68  -1.669  -5.889  -4.699
  495   HG13  VAL  68          HG13      VAL  68  -1.863  -4.816  -6.086
  496   HG21  VAL  68          HG21      VAL  68   0.428  -5.721  -3.300
  497   HG22  VAL  68          HG22      VAL  68   0.141  -3.989  -3.129
  498   HG23  VAL  68          HG23      VAL  68   1.680  -4.569  -3.769
  499    H    ASP  69           HN       ASP  69   1.742  -5.375  -8.275
  500    HA   ASP  69           HA       ASP  69   4.468  -5.820  -7.575
  501    HB2  ASP  69           HB2      ASP  69   3.495  -6.284  -9.804
  502    HB3  ASP  69           HB1      ASP  69   3.362  -4.551 -10.075
  503    H    THR  70           HN       THR  70   2.733  -2.852  -8.527
  504    HA   THR  70           HA       THR  70   5.021  -1.271  -7.596
  505    HB   THR  70           HB       THR  70   4.059   0.525  -9.015
  506    HG1  THR  70           HG1      THR  70   2.345  -0.373 -10.542
  507   HG21  THR  70          HG21      THR  70   5.689  -1.000 -10.037
  508   HG22  THR  70          HG22      THR  70   4.480  -0.497 -11.223
  509   HG23  THR  70          HG23      THR  70   4.388  -2.099 -10.491
  510    HA   PRO  71           HA       PRO  71   2.501   0.566  -4.272
  511    HB2  PRO  71           HB2      PRO  71   3.351   3.181  -5.452
  512    HB3  PRO  71           HB1      PRO  71   3.411   2.648  -3.768
  513    HG2  PRO  71           HG2      PRO  71   5.626   2.720  -5.206
  514    HG3  PRO  71           HG1      PRO  71   5.317   1.364  -4.106
  515    HD2  PRO  71           HD2      PRO  71   5.087   1.481  -7.079
  516    HD3  PRO  71           HD1      PRO  71   5.655   0.158  -6.042
  517    H    ARG  72           HN       ARG  72   2.402   1.768  -7.539
  518    HA   ARG  72           HA       ARG  72  -0.063   3.094  -7.586
  519    HB2  ARG  72           HB2      ARG  72   1.483   3.110  -9.479
  520    HB3  ARG  72           HB1      ARG  72   1.199   1.396  -9.736
  521    HG2  ARG  72           HG2      ARG  72  -1.146   1.872 -10.265
  522    HG3  ARG  72           HG1      ARG  72  -0.838   3.597 -10.036
  523    HD2  ARG  72           HD2      ARG  72   0.522   1.817 -12.047
  524    HD3  ARG  72           HD1      ARG  72  -0.784   2.950 -12.399
  525    HE   ARG  72           HE       ARG  72   0.784   4.692 -11.522
  526   HH11  ARG  72          HH11      ARG  72   2.052   1.706 -12.988
  527   HH12  ARG  72          HH12      ARG  72   3.419   2.462 -13.681
  528   HH21  ARG  72          HH21      ARG  72   2.713   5.713 -12.424
  529   HH22  ARG  72          HH22      ARG  72   3.791   4.822 -13.381
  530    H    GLU  73           HN       GLU  73   0.673  -0.344  -8.149
  531    HA   GLU  73           HA       GLU  73  -2.005  -1.072  -8.584
  532    HB2  GLU  73           HB2      GLU  73   0.280  -2.826  -7.678
  533    HB3  GLU  73           HB1      GLU  73  -1.264  -3.392  -8.298
  534    HG2  GLU  73           HG2      GLU  73   0.882  -1.907  -9.783
  535    HG3  GLU  73           HG1      GLU  73   0.328  -3.558 -10.042
  536    H    LEU  74           HN       LEU  74  -0.072  -0.884  -5.673
  537    HA   LEU  74           HA       LEU  74  -1.987  -2.180  -4.003
  538    HB2  LEU  74           HB2      LEU  74   0.463  -1.797  -3.446
  539    HB3  LEU  74           HB1      LEU  74   0.083  -0.120  -3.165
  540    HG   LEU  74           HG       LEU  74   0.389  -1.500  -1.094
  541   HD11  LEU  74          HD11      LEU  74  -2.327  -0.264  -1.373
  542   HD12  LEU  74          HD12      LEU  74  -0.834   0.568  -0.936
  543   HD13  LEU  74          HD13      LEU  74  -1.516  -0.650   0.146
  544   HD21  LEU  74          HD21      LEU  74  -1.413  -2.990  -0.374
  545   HD22  LEU  74          HD22      LEU  74  -0.623  -3.571  -1.842
  546   HD23  LEU  74          HD23      LEU  74  -2.197  -2.786  -1.942
  547    H    LEU  75           HN       LEU  75  -1.376   1.196  -4.856
  548    HA   LEU  75           HA       LEU  75  -3.391   2.412  -3.335
  549    HB2  LEU  75           HB2      LEU  75  -1.624   3.656  -4.513
  550    HB3  LEU  75           HB1      LEU  75  -2.297   3.166  -6.051
  551    HG   LEU  75           HG       LEU  75  -4.335   4.474  -5.554
  552   HD11  LEU  75          HD11      LEU  75  -2.796   5.376  -3.128
  553   HD12  LEU  75          HD12      LEU  75  -4.268   4.401  -3.152
  554   HD13  LEU  75          HD13      LEU  75  -4.312   6.070  -3.714
  555   HD21  LEU  75          HD21      LEU  75  -2.532   5.456  -6.870
  556   HD22  LEU  75          HD22      LEU  75  -1.756   6.030  -5.394
  557   HD23  LEU  75          HD23      LEU  75  -3.324   6.678  -5.877
  558    H    ASP  76           HN       ASP  76  -3.365   1.273  -6.656
  559    HA   ASP  76           HA       ASP  76  -5.990   1.714  -7.408
  560    HB2  ASP  76           HB2      ASP  76  -4.364   1.163  -9.047
  561    HB3  ASP  76           HB1      ASP  76  -3.958  -0.342  -8.241
  562    H    LEU  77           HN       LEU  77  -4.575  -1.156  -5.900
  563    HA   LEU  77           HA       LEU  77  -6.851  -2.754  -5.843
  564    HB2  LEU  77           HB2      LEU  77  -4.583  -3.566  -5.423
  565    HB3  LEU  77           HB1      LEU  77  -4.532  -2.668  -3.921
  566    HG   LEU  77           HG       LEU  77  -6.328  -4.094  -3.023
  567   HD11  LEU  77          HD11      LEU  77  -6.958  -6.137  -4.209
  568   HD12  LEU  77          HD12      LEU  77  -6.004  -5.622  -5.600
  569   HD13  LEU  77          HD13      LEU  77  -7.422  -4.695  -5.111
  570   HD21  LEU  77          HD21      LEU  77  -4.960  -6.102  -2.759
  571   HD22  LEU  77          HD22      LEU  77  -3.997  -4.634  -2.597
  572   HD23  LEU  77          HD23      LEU  77  -3.927  -5.576  -4.087
  573    H    ILE  78           HN       ILE  78  -5.560  -0.600  -3.281
  574    HA   ILE  78           HA       ILE  78  -7.791  -1.121  -1.621
  575    HB   ILE  78           HB       ILE  78  -5.862   1.221  -1.406
  576   HG12  ILE  78          HG12      ILE  78  -5.946  -1.498  -0.080
  577   HG13  ILE  78          HG11      ILE  78  -4.693  -0.868  -1.140
  578   HG21  ILE  78          HG21      ILE  78  -6.683   1.416   0.919
  579   HG22  ILE  78          HG22      ILE  78  -7.894   0.174   0.588
  580   HG23  ILE  78          HG23      ILE  78  -7.955   1.722  -0.261
  581   HD11  ILE  78          HD11      ILE  78  -4.102   0.777   0.573
  582   HD12  ILE  78          HD12      ILE  78  -3.968  -0.882   1.171
  583   HD13  ILE  78          HD13      ILE  78  -5.354   0.114   1.624
  584    H    ASN  79           HN       ASN  79  -7.140   1.397  -3.992
  585    HA   ASN  79           HA       ASN  79  -9.431   2.955  -3.395
  586    HB2  ASN  79           HB2      ASN  79  -7.820   2.688  -5.938
  587    HB3  ASN  79           HB1      ASN  79  -9.281   3.654  -5.898
  588   HD21  ASN  79          HD21      ASN  79  -7.091   3.446  -3.173
  589   HD22  ASN  79          HD22      ASN  79  -6.464   5.058  -3.322
  590    H    GLY  80           HN       GLY  80  -8.976   0.110  -5.337
  591    HA2  GLY  80           HA2      GLY  80 -11.575   0.014  -6.473
  592    HA3  GLY  80           HA1      GLY  80 -10.493  -1.359  -6.255
  593    H    ALA  81           HN       ALA  81 -10.196  -1.401  -3.541
  594    HA   ALA  81           HA       ALA  81 -12.543  -2.661  -2.618
  595    HB1  ALA  81           HB1      ALA  81 -11.431  -2.740  -0.437
  596    HB2  ALA  81           HB2      ALA  81 -10.233  -1.574  -1.001
  597    HB3  ALA  81           HB3      ALA  81 -10.315  -3.176  -1.731
  598    H    LEU  82           HN       LEU  82 -11.293   0.569  -2.209
  599    HA   LEU  82           HA       LEU  82 -13.221   1.499  -0.342
  600    HB2  LEU  82           HB2      LEU  82 -11.449   2.999  -2.264
  601    HB3  LEU  82           HB1      LEU  82 -12.418   3.760  -1.018
  602    HG   LEU  82           HG       LEU  82 -10.232   1.760  -0.452
  603   HD11  LEU  82          HD11      LEU  82 -10.154   4.767  -0.325
  604   HD12  LEU  82          HD12      LEU  82  -9.301   3.752  -1.488
  605   HD13  LEU  82          HD13      LEU  82  -8.884   3.672   0.223
  606   HD21  LEU  82          HD21      LEU  82 -10.411   2.633   1.829
  607   HD22  LEU  82          HD22      LEU  82 -11.926   1.915   1.282
  608   HD23  LEU  82          HD23      LEU  82 -11.746   3.669   1.322
  609    H    ALA  83           HN       ALA  83 -13.106   1.337  -3.826
  610    HA   ALA  83           HA       ALA  83 -15.408   2.947  -4.292
  611    HB1  ALA  83           HB1      ALA  83 -14.149   0.824  -6.044
  612    HB2  ALA  83           HB2      ALA  83 -13.729   2.534  -6.043
  613    HB3  ALA  83           HB3      ALA  83 -15.334   2.019  -6.569
  614    H    GLU  84           HN       GLU  84 -14.811  -0.392  -3.605
  615    HA   GLU  84           HA       GLU  84 -17.557  -1.202  -4.007
  616    HB2  GLU  84           HB2      GLU  84 -15.130  -2.655  -2.962
  617    HB3  GLU  84           HB1      GLU  84 -16.723  -3.391  -3.043
  618    HG2  GLU  84           HG2      GLU  84 -15.214  -2.282  -5.397
  619    HG3  GLU  84           HG1      GLU  84 -15.283  -3.985  -4.941
  620    H    ALA  85           HN       ALA  85 -16.343   0.692  -1.812
  621    HA   ALA  85           HA       ALA  85 -17.676  -0.522   0.489
  622    HB1  ALA  85           HB1      ALA  85 -16.510   1.193   1.814
  623    HB2  ALA  85           HB2      ALA  85 -15.797   1.844   0.335
  624    HB3  ALA  85           HB3      ALA  85 -15.373   0.221   0.879
  625    H    ALA  86           HN       ALA  86 -19.334   0.599   1.500
  626    HA   ALA  86           HA       ALA  86 -20.644   2.536  -0.244
  627    HB1  ALA  86           HB1      ALA  86 -21.929   0.537   0.355
  628    HB2  ALA  86           HB2      ALA  86 -22.682   1.995   1.003
  629    HB3  ALA  86           HB3      ALA  86 -21.756   0.935   2.066
  630    H28  SXD  87          H28B      SXD  87   2.942 -13.523   1.898
  631   H28A  SXD  87          H28A      SXD  87   3.367 -14.832   0.788
  632    H30  SXD  87          H30A      SXD  87  -0.257 -15.248   1.382
  633   H30A  SXD  87          H30C      SXD  87   1.337 -15.994   1.523
  634   H30B  SXD  87          H30B      SXD  87   0.902 -14.642   2.569
  635    H31  SXD  87          H31A      SXD  87  -0.431 -12.904   0.446
  636   H31A  SXD  87          H31C      SXD  87   0.723 -12.372   1.669
  637   H31B  SXD  87          H31B      SXD  87   1.039 -12.063  -0.039
  638    H32  SXD  87          H32A      SXD  87   1.544 -14.009  -1.649
  639   HO33  SXD  87          H33A      SXD  87  -0.404 -15.790  -1.087
  640   HN36  SXD  87          H36A      SXD  87   3.457 -15.459  -0.422
  641    H37  SXD  87          H37B      SXD  87   4.340 -17.464  -1.793
  642   H37A  SXD  87          H37A      SXD  87   3.147 -18.339  -0.843
  643    H38  SXD  87          H38A      SXD  87   5.476 -18.353   0.071
  644   H38A  SXD  87          H38B      SXD  87   5.353 -16.600   0.344
  645   HN41  SXD  87          H41A      SXD  87   5.588 -16.740   2.531
  646    H42  SXD  87          H42B      SXD  87   4.883 -18.332   4.474
  647   H42A  SXD  87          H42A      SXD  87   3.299 -17.681   4.059
  648    H43  SXD  87          H43B      SXD  87   5.678 -16.064   4.955
  649   H43A  SXD  87          H43A      SXD  87   4.103 -15.417   4.492
  650    H1   SXD  87           H1A      SXD  87   5.000 -18.665   6.375
  651    H1A  SXD  87           H1B      SXD  87   4.610 -18.282   8.066
  652    H2   SXD  87           H2A      SXD  87   6.781 -16.958   6.474
  653    H2A  SXD  87           H2B      SXD  87   7.080 -18.457   7.364
  654    H4   SXD  87           H4B      SXD  87   6.273 -14.727   8.032
  655    H4A  SXD  87           H4A      SXD  87   7.294 -14.912   9.458
  656    H6   SXD  87           H6C      SXD  87   9.438 -13.678   8.908
  657    H6A  SXD  87           H6A      SXD  87  10.394 -14.399   7.607
  658    H6B  SXD  87           H6B      SXD  87   9.908 -15.382   8.995
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -19.340   6.527  -3.851
    2    H2   MET   1           HT2      MET   1 -19.254   7.839  -2.773
    3    H3   MET   1           HT3      MET   1 -19.173   6.279  -2.185
    4    HA   MET   1           HA       MET   1 -17.048   5.961  -3.260
    5    HB2  MET   1           HB2      MET   1 -17.506   7.556  -5.137
    6    HB3  MET   1           HB1      MET   1 -17.387   8.888  -3.999
    7    HG2  MET   1           HG2      MET   1 -15.345   8.768  -5.195
    8    HG3  MET   1           HG1      MET   1 -15.030   8.202  -3.558
    9    HE1  MET   1           HE1      MET   1 -15.476   7.196  -7.324
   10    HE2  MET   1           HE2      MET   1 -16.776   6.292  -6.548
   11    HE3  MET   1           HE3      MET   1 -15.401   5.437  -7.245
   12    H    ALA   2           HN       ALA   2 -15.707   5.903  -1.520
   13    HA   ALA   2           HA       ALA   2 -16.172   7.789   0.629
   14    HB1  ALA   2           HB1      ALA   2 -14.671   6.337   1.904
   15    HB2  ALA   2           HB2      ALA   2 -14.346   5.393   0.451
   16    HB3  ALA   2           HB3      ALA   2 -15.968   5.410   1.148
   17    H    THR   3           HN       THR   3 -13.810   8.128   1.779
   18    HA   THR   3           HA       THR   3 -12.520   9.979   0.053
   19    HB   THR   3           HB       THR   3 -12.697  10.493   2.408
   20    HG1  THR   3           HG1      THR   3  -9.918  10.062   2.102
   21   HG21  THR   3          HG21      THR   3 -11.453   9.280   4.168
   22   HG22  THR   3          HG22      THR   3 -10.956   8.080   2.976
   23   HG23  THR   3          HG23      THR   3 -12.661   8.250   3.394
   24    H    LEU   4           HN       LEU   4 -11.376   9.255  -1.562
   25    HA   LEU   4           HA       LEU   4 -10.074   6.765  -1.649
   26    HB2  LEU   4           HB2      LEU   4  -9.695   9.196  -3.380
   27    HB3  LEU   4           HB1      LEU   4  -9.098   7.589  -3.744
   28    HG   LEU   4           HG       LEU   4 -11.999   8.378  -3.521
   29   HD11  LEU   4          HD11      LEU   4 -12.061   7.970  -5.919
   30   HD12  LEU   4          HD12      LEU   4 -10.321   7.668  -5.915
   31   HD13  LEU   4          HD13      LEU   4 -10.943   9.271  -5.512
   32   HD21  LEU   4          HD21      LEU   4 -11.623   6.087  -2.795
   33   HD22  LEU   4          HD22      LEU   4 -10.729   5.752  -4.276
   34   HD23  LEU   4          HD23      LEU   4 -12.451   6.126  -4.351
   35    H    LEU   5           HN       LEU   5  -7.954   6.255  -1.570
   36    HA   LEU   5           HA       LEU   5  -6.409   7.648   0.359
   37    HB2  LEU   5           HB2      LEU   5  -5.640   5.424  -1.512
   38    HB3  LEU   5           HB1      LEU   5  -4.674   5.993  -0.165
   39    HG   LEU   5           HG       LEU   5  -7.335   4.607  -0.037
   40   HD11  LEU   5          HD11      LEU   5  -5.532   3.181  -0.738
   41   HD12  LEU   5          HD12      LEU   5  -5.977   2.806   0.929
   42   HD13  LEU   5          HD13      LEU   5  -4.527   3.754   0.587
   43   HD21  LEU   5          HD21      LEU   5  -5.478   5.477   2.174
   44   HD22  LEU   5          HD22      LEU   5  -6.958   4.536   2.367
   45   HD23  LEU   5          HD23      LEU   5  -7.041   6.204   1.804
   46    H    THR   6           HN       THR   6  -4.833   9.060   0.060
   47    HA   THR   6           HA       THR   6  -4.220   9.928  -2.628
   48    HB   THR   6           HB       THR   6  -2.902  11.682  -1.448
   49    HG1  THR   6           HG1      THR   6  -3.997  10.549   0.932
   50   HG21  THR   6          HG21      THR   6  -4.815  12.839  -0.421
   51   HG22  THR   6          HG22      THR   6  -5.723  11.327  -0.403
   52   HG23  THR   6          HG23      THR   6  -5.280  12.074  -1.940
   53    H    THR   7           HN       THR   7  -1.595  10.628  -2.533
   54    HA   THR   7           HA       THR   7  -0.223   8.122  -2.540
   55    HB   THR   7           HB       THR   7   1.788   9.538  -2.947
   56    HG1  THR   7           HG1      THR   7   0.020  11.769  -3.025
   57   HG21  THR   7          HG21      THR   7  -0.593  10.191  -4.699
   58   HG22  THR   7          HG22      THR   7   0.449   8.775  -4.851
   59   HG23  THR   7          HG23      THR   7   1.098  10.385  -5.162
   60    H    ASP   8           HN       ASP   8  -0.637  10.813  -0.513
   61    HA   ASP   8           HA       ASP   8   1.355  10.396   1.436
   62    HB2  ASP   8           HB2      ASP   8   0.006  12.488   1.160
   63    HB3  ASP   8           HB1      ASP   8  -1.364  11.638   1.862
   64    H    ASP   9           HN       ASP   9  -2.074   9.478   1.340
   65    HA   ASP   9           HA       ASP   9  -2.265   8.078   3.759
   66    HB2  ASP   9           HB2      ASP   9  -3.694   7.517   1.148
   67    HB3  ASP   9           HB1      ASP   9  -4.046   6.661   2.635
   68    H    LEU  10           HN       LEU  10  -1.465   6.849   0.568
   69    HA   LEU  10           HA       LEU  10  -1.010   4.183   1.264
   70    HB2  LEU  10           HB2      LEU  10  -1.286   4.982  -1.038
   71    HB3  LEU  10           HB1      LEU  10   0.238   5.836  -0.933
   72    HG   LEU  10           HG       LEU  10   1.426   3.693  -0.744
   73   HD11  LEU  10          HD11      LEU  10  -1.296   2.468  -1.159
   74   HD12  LEU  10          HD12      LEU  10  -0.333   2.381   0.314
   75   HD13  LEU  10          HD13      LEU  10   0.237   1.599  -1.161
   76   HD21  LEU  10          HD21      LEU  10  -0.443   3.875  -3.101
   77   HD22  LEU  10          HD22      LEU  10   1.061   2.953  -3.045
   78   HD23  LEU  10          HD23      LEU  10   1.099   4.712  -2.929
   79    H    ARG  11           HN       ARG  11   1.212   6.928   1.031
   80    HA   ARG  11           HA       ARG  11   3.583   5.643   1.684
   81    HB2  ARG  11           HB2      ARG  11   3.630   7.877   0.810
   82    HB3  ARG  11           HB1      ARG  11   2.723   8.491   2.184
   83    HG2  ARG  11           HG2      ARG  11   4.597   8.041   3.658
   84    HG3  ARG  11           HG1      ARG  11   5.502   7.334   2.323
   85    HD2  ARG  11           HD2      ARG  11   6.221   9.624   2.771
   86    HD3  ARG  11           HD1      ARG  11   5.507   9.460   1.174
   87    HE   ARG  11           HE       ARG  11   3.587  10.290   3.084
   88   HH11  ARG  11          HH11      ARG  11   6.401  11.478   1.268
   89   HH12  ARG  11          HH12      ARG  11   5.801  13.056   1.071
   90   HH21  ARG  11          HH21      ARG  11   2.763  12.593   2.870
   91   HH22  ARG  11          HH22      ARG  11   3.777  13.705   2.117
   92    H    ARG  12           HN       ARG  12   1.158   7.060   3.842
   93    HA   ARG  12           HA       ARG  12   2.640   6.857   6.232
   94    HB2  ARG  12           HB2      ARG  12  -0.365   6.579   5.993
   95    HB3  ARG  12           HB1      ARG  12   0.515   6.965   7.448
   96    HG2  ARG  12           HG2      ARG  12   0.298   8.685   4.970
   97    HG3  ARG  12           HG1      ARG  12  -0.472   8.982   6.528
   98    HD2  ARG  12           HD2      ARG  12   1.631   9.394   7.570
   99    HD3  ARG  12           HD1      ARG  12   2.511   8.826   6.150
  100    HE   ARG  12           HE       ARG  12   0.901  10.953   5.347
  101   HH11  ARG  12          HH11      ARG  12   3.705  10.474   7.491
  102   HH12  ARG  12          HH12      ARG  12   4.362  12.012   7.220
  103   HH21  ARG  12          HH21      ARG  12   1.833  13.030   4.921
  104   HH22  ARG  12          HH22      ARG  12   3.241  13.545   5.743
  105    H    ALA  13           HN       ALA  13   0.338   4.637   4.778
  106    HA   ALA  13           HA       ALA  13   0.520   2.651   6.745
  107    HB1  ALA  13           HB1      ALA  13  -0.529   1.193   5.123
  108    HB2  ALA  13           HB2      ALA  13  -0.166   2.343   3.835
  109    HB3  ALA  13           HB3      ALA  13  -1.294   2.780   5.118
  110    H    LEU  14           HN       LEU  14   2.351   3.185   3.784
  111    HA   LEU  14           HA       LEU  14   3.858   0.797   3.796
  112    HB2  LEU  14           HB2      LEU  14   4.509   3.518   2.659
  113    HB3  LEU  14           HB1      LEU  14   5.489   2.096   2.391
  114    HG   LEU  14           HG       LEU  14   2.609   2.368   1.508
  115   HD11  LEU  14          HD11      LEU  14   4.048   3.938   0.319
  116   HD12  LEU  14          HD12      LEU  14   3.530   2.629  -0.741
  117   HD13  LEU  14          HD13      LEU  14   5.164   2.630  -0.073
  118   HD21  LEU  14          HD21      LEU  14   3.107   0.388   0.162
  119   HD22  LEU  14          HD22      LEU  14   3.321   0.061   1.880
  120   HD23  LEU  14          HD23      LEU  14   4.731   0.326   0.851
  121    H    VAL  15           HN       VAL  15   4.352   3.869   5.403
  122    HA   VAL  15           HA       VAL  15   6.981   3.176   6.331
  123    HB   VAL  15           HB       VAL  15   5.139   5.434   7.196
  124   HG11  VAL  15          HG11      VAL  15   6.778   4.923   8.940
  125   HG12  VAL  15          HG12      VAL  15   7.148   6.466   8.169
  126   HG13  VAL  15          HG13      VAL  15   8.083   5.027   7.758
  127   HG21  VAL  15          HG21      VAL  15   7.494   5.408   5.317
  128   HG22  VAL  15          HG22      VAL  15   6.588   6.840   5.811
  129   HG23  VAL  15          HG23      VAL  15   5.799   5.581   4.861
  130    H    GLU  16           HN       GLU  16   3.730   3.286   7.735
  131    HA   GLU  16           HA       GLU  16   4.575   2.618  10.347
  132    HB2  GLU  16           HB2      GLU  16   1.827   2.286   9.140
  133    HB3  GLU  16           HB1      GLU  16   2.209   2.224  10.857
  134    HG2  GLU  16           HG2      GLU  16   3.066   4.573  10.647
  135    HG3  GLU  16           HG1      GLU  16   2.405   4.588   9.015
  136    H    SER  17           HN       SER  17   3.776   0.584   7.589
  137    HA   SER  17           HA       SER  17   3.606  -1.809   9.116
  138    HB2  SER  17           HB2      SER  17   3.900  -2.890   6.869
  139    HB3  SER  17           HB1      SER  17   2.583  -1.717   6.934
  140    HG   SER  17           HG       SER  17   3.625  -1.047   5.186
  141    H    ALA  18           HN       ALA  18   6.106  -0.140   7.328
  142    HA   ALA  18           HA       ALA  18   8.206  -1.959   7.696
  143    HB1  ALA  18           HB1      ALA  18   8.301  -0.111   6.085
  144    HB2  ALA  18           HB2      ALA  18   9.682  -0.064   7.181
  145    HB3  ALA  18           HB3      ALA  18   8.331   1.047   7.415
  146    H    GLY  19           HN       GLY  19   7.110   0.800   9.597
  147    HA2  GLY  19           HA2      GLY  19   7.226   0.056  12.070
  148    HA3  GLY  19           HA1      GLY  19   8.955   0.090  11.741
  149    H    GLU  20           HN       GLU  20   9.963   2.003  11.377
  150    HA   GLU  20           HA       GLU  20   8.469   4.488  11.439
  151    HB2  GLU  20           HB2      GLU  20   9.643   5.360  13.442
  152    HB3  GLU  20           HB1      GLU  20   8.574   4.015  13.804
  153    HG2  GLU  20           HG2      GLU  20  10.522   2.508  13.849
  154    HG3  GLU  20           HG1      GLU  20  11.571   3.894  13.553
  155    H    THR  21           HN       THR  21  10.570   2.881   9.941
  156    HA   THR  21           HA       THR  21  12.226   5.170   9.264
  157    HB   THR  21           HB       THR  21  13.339   2.400   9.858
  158    HG1  THR  21           HG1      THR  21  12.852   4.558  11.424
  159   HG21  THR  21          HG21      THR  21  14.733   5.000   9.159
  160   HG22  THR  21          HG22      THR  21  14.556   3.616   8.081
  161   HG23  THR  21          HG23      THR  21  15.530   3.473   9.542
  162    H    ASP  22           HN       ASP  22  11.066   5.304   7.360
  163    HA   ASP  22           HA       ASP  22  10.457   3.104   5.705
  164    HB2  ASP  22           HB2      ASP  22   9.969   4.785   3.874
  165    HB3  ASP  22           HB1      ASP  22   9.098   5.047   5.373
  166    H    GLY  23           HN       GLY  23  13.013   5.530   5.252
  167    HA2  GLY  23           HA2      GLY  23  15.177   5.114   4.508
  168    HA3  GLY  23           HA1      GLY  23  14.697   3.444   4.182
  169    H    THR  24           HN       THR  24  12.468   5.526   2.929
  170    HA   THR  24           HA       THR  24  13.527   6.380   0.543
  171    HB   THR  24           HB       THR  24  13.924   4.073  -0.094
  172    HG1  THR  24           HG1      THR  24  11.552   4.800  -1.430
  173   HG21  THR  24          HG21      THR  24  11.012   3.468   0.515
  174   HG22  THR  24          HG22      THR  24  12.404   2.887   1.430
  175   HG23  THR  24          HG23      THR  24  12.151   2.341  -0.228
  176    H    ASP  25           HN       ASP  25  12.228   8.038   1.453
  177    HA   ASP  25           HA       ASP  25   9.504   7.771   2.087
  178    HB2  ASP  25           HB2      ASP  25  10.970   9.757   2.728
  179    HB3  ASP  25           HB1      ASP  25  10.707  10.367   1.098
  180    H    LEU  26           HN       LEU  26   7.700   8.068   1.052
  181    HA   LEU  26           HA       LEU  26   7.854   7.747  -1.823
  182    HB2  LEU  26           HB2      LEU  26   5.573   7.193   0.097
  183    HB3  LEU  26           HB1      LEU  26   5.517   6.911  -1.627
  184    HG   LEU  26           HG       LEU  26   5.791   4.807  -0.646
  185   HD11  LEU  26          HD11      LEU  26   8.492   5.656  -1.609
  186   HD12  LEU  26          HD12      LEU  26   7.149   5.053  -2.581
  187   HD13  LEU  26          HD13      LEU  26   7.946   3.990  -1.422
  188   HD21  LEU  26          HD21      LEU  26   7.555   4.193   0.977
  189   HD22  LEU  26          HD22      LEU  26   6.496   5.444   1.624
  190   HD23  LEU  26          HD23      LEU  26   8.094   5.865   1.020
  191    H    SER  27           HN       SER  27   8.407  10.058  -1.576
  192    HA   SER  27           HA       SER  27   6.301  11.903  -1.121
  193    HB2  SER  27           HB2      SER  27   8.192  13.497  -1.907
  194    HB3  SER  27           HB1      SER  27   8.333  12.658  -0.361
  195    HG   SER  27           HG       SER  27  10.181  12.138  -1.182
  196    H    GLY  28           HN       GLY  28   4.741  12.040  -2.599
  197    HA2  GLY  28           HA2      GLY  28   3.760  12.942  -4.449
  198    HA3  GLY  28           HA1      GLY  28   5.346  13.350  -5.057
  199    H    ASP  29           HN       ASP  29   6.439  11.869  -6.343
  200    HA   ASP  29           HA       ASP  29   4.597  10.025  -7.652
  201    HB2  ASP  29           HB2      ASP  29   5.962  10.181  -9.651
  202    HB3  ASP  29           HB1      ASP  29   5.541  11.797  -9.112
  203    H    PHE  30           HN       PHE  30   4.866   8.034  -7.522
  204    HA   PHE  30           HA       PHE  30   7.320   6.619  -7.342
  205    HB2  PHE  30           HB2      PHE  30   7.080   5.722  -5.059
  206    HB3  PHE  30           HB1      PHE  30   7.262   7.469  -5.011
  207    HD1  PHE  30           HD2      PHE  30   5.213   8.885  -4.611
  208    HD2  PHE  30           HD1      PHE  30   5.202   4.668  -4.120
  209    HE1  PHE  30           HE2      PHE  30   3.166   9.055  -3.263
  210    HE2  PHE  30           HE1      PHE  30   3.151   4.828  -2.776
  211    HZ   PHE  30           HZ       PHE  30   2.158   7.009  -2.303
  212    H    LEU  31           HN       LEU  31   4.518   6.790  -8.577
  213    HA   LEU  31           HA       LEU  31   3.149   4.539  -7.459
  214    HB2  LEU  31           HB2      LEU  31   2.444   6.417  -9.682
  215    HB3  LEU  31           HB1      LEU  31   1.479   5.009  -9.305
  216    HG   LEU  31           HG       LEU  31   0.390   6.786  -8.298
  217   HD11  LEU  31          HD11      LEU  31   0.515   6.397  -5.891
  218   HD12  LEU  31          HD12      LEU  31   1.997   5.476  -6.139
  219   HD13  LEU  31          HD13      LEU  31   0.481   4.911  -6.841
  220   HD21  LEU  31          HD21      LEU  31   1.380   8.483  -6.877
  221   HD22  LEU  31          HD22      LEU  31   2.210   8.464  -8.440
  222   HD23  LEU  31          HD23      LEU  31   2.949   7.709  -7.019
  223    H    ASP  32           HN       ASP  32   4.908   5.258 -10.405
  224    HA   ASP  32           HA       ASP  32   4.406   2.530 -11.318
  225    HB2  ASP  32           HB2      ASP  32   5.574   3.249 -13.461
  226    HB3  ASP  32           HB1      ASP  32   4.033   4.015 -13.110
  227    H    LEU  33           HN       LEU  33   6.173   3.283  -9.147
  228    HA   LEU  33           HA       LEU  33   8.732   2.134  -9.981
  229    HB2  LEU  33           HB2      LEU  33   7.538   2.760  -7.325
  230    HB3  LEU  33           HB1      LEU  33   9.217   2.271  -7.546
  231    HG   LEU  33           HG       LEU  33   7.904   4.874  -8.299
  232   HD11  LEU  33          HD11      LEU  33  10.204   4.206  -6.459
  233   HD12  LEU  33          HD12      LEU  33   8.578   4.690  -5.977
  234   HD13  LEU  33          HD13      LEU  33   9.627   5.835  -6.815
  235   HD21  LEU  33          HD21      LEU  33  10.710   3.969  -8.961
  236   HD22  LEU  33          HD22      LEU  33  10.078   5.596  -9.205
  237   HD23  LEU  33          HD23      LEU  33   9.408   4.242 -10.117
  238    H    ARG  34           HN       ARG  34   9.308   0.057  -8.661
  239    HA   ARG  34           HA       ARG  34   6.824  -1.395  -8.091
  240    HB2  ARG  34           HB2      ARG  34   9.549  -2.449  -8.832
  241    HB3  ARG  34           HB1      ARG  34   8.217  -3.454  -8.296
  242    HG2  ARG  34           HG2      ARG  34   6.942  -2.801 -10.276
  243    HG3  ARG  34           HG1      ARG  34   8.304  -1.797 -10.808
  244    HD2  ARG  34           HD2      ARG  34   9.747  -3.729 -10.871
  245    HD3  ARG  34           HD1      ARG  34   8.457  -4.740 -10.239
  246    HE   ARG  34           HE       ARG  34   7.713  -3.480 -12.661
  247   HH11  ARG  34          HH11      ARG  34   9.480  -6.239 -11.257
  248   HH12  ARG  34          HH12      ARG  34   9.428  -7.176 -12.675
  249   HH21  ARG  34          HH21      ARG  34   7.649  -4.811 -14.631
  250   HH22  ARG  34          HH22      ARG  34   8.392  -6.341 -14.645
  251    H    PHE  35           HN       PHE  35   6.882  -2.773  -6.219
  252    HA   PHE  35           HA       PHE  35   8.106  -1.471  -4.028
  253    HB2  PHE  35           HB2      PHE  35   6.713  -4.134  -4.208
  254    HB3  PHE  35           HB1      PHE  35   7.322  -3.462  -2.698
  255    HD1  PHE  35           HD1      PHE  35   6.536  -0.983  -2.236
  256    HD2  PHE  35           HD2      PHE  35   4.515  -3.763  -4.736
  257    HE1  PHE  35           HE1      PHE  35   4.436   0.245  -1.893
  258    HE2  PHE  35           HE2      PHE  35   2.412  -2.539  -4.401
  259    HZ   PHE  35           HZ       PHE  35   2.371  -0.534  -2.976
  260    H    GLU  36           HN       GLU  36   8.929  -4.251  -5.907
  261    HA   GLU  36           HA       GLU  36  11.095  -5.222  -4.451
  262    HB2  GLU  36           HB2      GLU  36  11.878  -6.208  -6.567
  263    HB3  GLU  36           HB1      GLU  36  10.151  -6.442  -6.337
  264    HG2  GLU  36           HG2      GLU  36   9.652  -4.700  -7.910
  265    HG3  GLU  36           HG1      GLU  36  11.357  -4.281  -8.041
  266    H    ASP  37           HN       ASP  37  10.841  -2.308  -6.324
  267    HA   ASP  37           HA       ASP  37  13.709  -1.988  -6.645
  268    HB2  ASP  37           HB2      ASP  37  11.500   0.024  -7.148
  269    HB3  ASP  37           HB1      ASP  37  13.190   0.239  -7.560
  270    H    ILE  38           HN       ILE  38  11.181  -1.018  -4.497
  271    HA   ILE  38           HA       ILE  38  13.030   0.813  -3.185
  272    HB   ILE  38           HB       ILE  38  11.068   1.664  -1.890
  273   HG12  ILE  38          HG12      ILE  38   9.475  -0.077  -3.800
  274   HG13  ILE  38          HG11      ILE  38   9.641  -0.351  -2.073
  275   HG21  ILE  38          HG21      ILE  38  11.859   2.825  -3.861
  276   HG22  ILE  38          HG22      ILE  38  10.098   2.920  -3.774
  277   HG23  ILE  38          HG23      ILE  38  10.870   1.792  -4.892
  278   HD11  ILE  38          HD11      ILE  38   7.496   0.650  -2.610
  279   HD12  ILE  38          HD12      ILE  38   8.310   2.024  -3.362
  280   HD13  ILE  38          HD13      ILE  38   8.467   1.744  -1.627
  281    H    GLY  39           HN       GLY  39  12.756  -2.222  -2.980
  282    HA2  GLY  39           HA2      GLY  39  13.528  -3.696  -1.391
  283    HA3  GLY  39           HA1      GLY  39  13.845  -2.318  -0.352
  284    H    TYR  40           HN       TYR  40  10.723  -3.156  -1.673
  285    HA   TYR  40           HA       TYR  40   9.779  -3.617   1.051
  286    HB2  TYR  40           HB2      TYR  40   8.527  -2.439  -1.359
  287    HB3  TYR  40           HB1      TYR  40   7.487  -3.402  -0.321
  288    HD1  TYR  40           HD1      TYR  40  10.018  -0.663  -0.064
  289    HD2  TYR  40           HD2      TYR  40   6.404  -2.350   1.391
  290    HE1  TYR  40           HE1      TYR  40   9.744   1.250   1.446
  291    HE2  TYR  40           HE2      TYR  40   6.093  -0.480   2.895
  292    HH   TYR  40           HH       TYR  40   7.331   1.309   3.937
  293    H    ASP  41           HN       ASP  41   8.674  -5.381   1.589
  294    HA   ASP  41           HA       ASP  41   8.620  -7.523  -0.429
  295    HB2  ASP  41           HB2      ASP  41   8.971  -7.826   2.564
  296    HB3  ASP  41           HB1      ASP  41   8.790  -9.151   1.429
  297    H    SER  42           HN       SER  42   6.932  -9.118  -0.119
  298    HA   SER  42           HA       SER  42   4.515  -7.818  -0.160
  299    HB2  SER  42           HB2      SER  42   3.809 -10.398  -0.205
  300    HB3  SER  42           HB1      SER  42   4.438  -9.506  -1.593
  301    H    LEU  43           HN       LEU  43   5.803  -9.772   2.503
  302    HA   LEU  43           HA       LEU  43   3.409  -9.831   3.983
  303    HB2  LEU  43           HB2      LEU  43   5.440 -11.119   4.608
  304    HB3  LEU  43           HB1      LEU  43   6.202  -9.625   5.122
  305    HG   LEU  43           HG       LEU  43   4.310  -9.356   6.761
  306   HD11  LEU  43          HD11      LEU  43   3.076 -11.356   7.400
  307   HD12  LEU  43          HD12      LEU  43   3.779 -12.218   6.030
  308   HD13  LEU  43          HD13      LEU  43   2.717 -10.835   5.754
  309   HD21  LEU  43          HD21      LEU  43   5.252 -10.887   8.387
  310   HD22  LEU  43          HD22      LEU  43   6.516 -10.074   7.467
  311   HD23  LEU  43          HD23      LEU  43   6.105 -11.759   7.109
  312    H    ALA  44           HN       ALA  44   6.047  -7.449   4.048
  313    HA   ALA  44           HA       ALA  44   4.822  -5.668   5.829
  314    HB1  ALA  44           HB1      ALA  44   6.716  -5.034   3.563
  315    HB2  ALA  44           HB2      ALA  44   7.188  -5.510   5.194
  316    HB3  ALA  44           HB3      ALA  44   6.352  -3.978   4.931
  317    H    LEU  45           HN       LEU  45   4.517  -6.107   2.386
  318    HA   LEU  45           HA       LEU  45   2.989  -3.834   1.847
  319    HB2  LEU  45           HB2      LEU  45   3.079  -6.482   0.429
  320    HB3  LEU  45           HB1      LEU  45   2.189  -5.095  -0.172
  321    HG   LEU  45           HG       LEU  45   5.156  -5.247   0.266
  322   HD11  LEU  45          HD11      LEU  45   3.496  -5.114  -2.246
  323   HD12  LEU  45          HD12      LEU  45   4.412  -6.514  -1.688
  324   HD13  LEU  45          HD13      LEU  45   5.252  -5.042  -2.173
  325   HD21  LEU  45          HD21      LEU  45   3.416  -3.033  -0.779
  326   HD22  LEU  45          HD22      LEU  45   5.185  -3.013  -0.722
  327   HD23  LEU  45          HD23      LEU  45   4.238  -3.058   0.774
  328    H    MET  46           HN       MET  46   1.978  -7.144   2.734
  329    HA   MET  46           HA       MET  46  -0.732  -6.382   2.591
  330    HB2  MET  46           HB2      MET  46  -1.303  -8.547   3.601
  331    HB3  MET  46           HB1      MET  46  -0.198  -8.720   2.259
  332    HG2  MET  46           HG2      MET  46   0.468 -10.268   3.893
  333    HG3  MET  46           HG1      MET  46   1.637  -8.969   3.929
  334    HE1  MET  46           HE1      MET  46  -1.951  -8.628   5.487
  335    HE2  MET  46           HE2      MET  46  -1.707  -9.247   7.122
  336    HE3  MET  46           HE3      MET  46  -1.622 -10.341   5.742
  337    H    GLU  47           HN       GLU  47   1.622  -6.231   5.150
  338    HA   GLU  47           HA       GLU  47  -0.338  -5.695   7.145
  339    HB2  GLU  47           HB2      GLU  47   2.167  -6.359   7.518
  340    HB3  GLU  47           HB1      GLU  47   2.484  -4.634   7.344
  341    HG2  GLU  47           HG2      GLU  47   0.833  -4.213   9.183
  342    HG3  GLU  47           HG1      GLU  47   0.717  -5.967   9.343
  343    H    THR  48           HN       THR  48   1.402  -3.801   4.831
  344    HA   THR  48           HA       THR  48   0.622  -1.192   5.531
  345    HB   THR  48           HB       THR  48   1.058  -2.490   2.821
  346    HG1  THR  48           HG1      THR  48   2.933  -2.549   3.938
  347   HG21  THR  48          HG21      THR  48   0.978   0.454   3.513
  348   HG22  THR  48          HG22      THR  48  -0.218  -0.414   2.546
  349   HG23  THR  48          HG23      THR  48   1.434  -0.221   1.950
  350    H    ALA  49           HN       ALA  49  -0.838  -3.526   3.273
  351    HA   ALA  49           HA       ALA  49  -3.207  -2.238   2.705
  352    HB1  ALA  49           HB1      ALA  49  -2.441  -4.273   1.573
  353    HB2  ALA  49           HB2      ALA  49  -4.100  -4.443   2.147
  354    HB3  ALA  49           HB3      ALA  49  -2.779  -5.209   3.028
  355    H    ALA  50           HN       ALA  50  -2.646  -4.627   5.303
  356    HA   ALA  50           HA       ALA  50  -5.146  -4.614   6.496
  357    HB1  ALA  50           HB1      ALA  50  -3.377  -6.234   7.021
  358    HB2  ALA  50           HB2      ALA  50  -4.054  -5.510   8.478
  359    HB3  ALA  50           HB3      ALA  50  -2.486  -4.974   7.873
  360    H    ARG  51           HN       ARG  51  -2.437  -2.458   7.020
  361    HA   ARG  51           HA       ARG  51  -3.247  -1.002   9.244
  362    HB2  ARG  51           HB2      ARG  51  -1.045  -0.821   8.068
  363    HB3  ARG  51           HB1      ARG  51  -1.838   0.054   6.774
  364    HG2  ARG  51           HG2      ARG  51  -0.674   1.588   8.220
  365    HG3  ARG  51           HG1      ARG  51  -2.417   1.838   8.393
  366    HD2  ARG  51           HD2      ARG  51  -2.440   0.523  10.402
  367    HD3  ARG  51           HD1      ARG  51  -0.737   0.133  10.200
  368    HE   ARG  51           HE       ARG  51  -0.822   2.865  10.317
  369   HH11  ARG  51          HH11      ARG  51  -1.923   0.181  12.430
  370   HH12  ARG  51          HH12      ARG  51  -1.616   1.022  13.872
  371   HH21  ARG  51          HH21      ARG  51  -0.381   3.976  12.334
  372   HH22  ARG  51          HH22      ARG  51  -0.727   3.235  13.822
  373    H    LEU  52           HN       LEU  52  -3.967  -0.557   5.842
  374    HA   LEU  52           HA       LEU  52  -5.606   1.734   6.369
  375    HB2  LEU  52           HB2      LEU  52  -5.034   0.270   3.803
  376    HB3  LEU  52           HB1      LEU  52  -5.973   1.749   3.923
  377    HG   LEU  52           HG       LEU  52  -3.081   1.493   4.746
  378   HD11  LEU  52          HD11      LEU  52  -2.582   2.813   2.768
  379   HD12  LEU  52          HD12      LEU  52  -4.279   2.747   2.298
  380   HD13  LEU  52          HD13      LEU  52  -3.320   1.266   2.342
  381   HD21  LEU  52          HD21      LEU  52  -4.277   3.206   5.994
  382   HD22  LEU  52          HD22      LEU  52  -4.869   3.910   4.490
  383   HD23  LEU  52          HD23      LEU  52  -3.144   3.938   4.859
  384    H    GLU  53           HN       GLU  53  -6.145  -1.698   5.641
  385    HA   GLU  53           HA       GLU  53  -8.808  -1.716   5.099
  386    HB2  GLU  53           HB2      GLU  53  -7.387  -3.622   6.951
  387    HB3  GLU  53           HB1      GLU  53  -8.945  -3.902   6.208
  388    HG2  GLU  53           HG2      GLU  53  -7.747  -3.759   4.006
  389    HG3  GLU  53           HG1      GLU  53  -6.260  -3.778   4.934
  390    H    SER  54           HN       SER  54  -7.183  -1.834   8.212
  391    HA   SER  54           HA       SER  54  -9.415  -2.077   9.878
  392    HB2  SER  54           HB2      SER  54  -7.101  -2.737  10.463
  393    HB3  SER  54           HB1      SER  54  -6.640  -1.040  10.499
  394    HG   SER  54           HG       SER  54  -8.717  -1.264  12.092
  395    H    ARG  55           HN       ARG  55  -7.951   0.655   8.363
  396    HA   ARG  55           HA       ARG  55  -9.056   2.543  10.185
  397    HB2  ARG  55           HB2      ARG  55  -7.477   2.727   7.660
  398    HB3  ARG  55           HB1      ARG  55  -8.110   4.132   8.487
  399    HG2  ARG  55           HG2      ARG  55  -6.811   3.456  10.502
  400    HG3  ARG  55           HG1      ARG  55  -6.120   2.134   9.556
  401    HD2  ARG  55           HD2      ARG  55  -4.635   4.095   9.636
  402    HD3  ARG  55           HD1      ARG  55  -5.159   3.720   7.990
  403    HE   ARG  55           HE       ARG  55  -6.860   5.615   9.301
  404   HH11  ARG  55          HH11      ARG  55  -3.750   5.404   7.562
  405   HH12  ARG  55          HH12      ARG  55  -3.919   6.957   6.900
  406   HH21  ARG  55          HH21      ARG  55  -7.000   7.762   8.412
  407   HH22  ARG  55          HH22      ARG  55  -5.759   8.329   7.422
  408    H    TYR  56           HN       TYR  56  -9.498   1.720   6.719
  409    HA   TYR  56           HA       TYR  56 -11.716   3.574   6.661
  410    HB2  TYR  56           HB2      TYR  56 -10.303   2.142   4.425
  411    HB3  TYR  56           HB1      TYR  56 -11.620   3.295   4.207
  412    HD1  TYR  56           HD2      TYR  56 -11.296   5.664   4.725
  413    HD2  TYR  56           HD1      TYR  56  -8.096   2.888   5.041
  414    HE1  TYR  56           HE2      TYR  56  -9.698   7.522   4.838
  415    HE2  TYR  56           HE1      TYR  56  -6.494   4.716   5.168
  416    HH   TYR  56           HH       TYR  56  -6.389   7.223   4.457
  417    H    GLY  57           HN       GLY  57 -11.371   0.209   6.968
  418    HA2  GLY  57           HA2      GLY  57 -13.182  -1.185   7.454
  419    HA3  GLY  57           HA1      GLY  57 -14.263   0.011   6.753
  420    H    VAL  58           HN       VAL  58 -11.416  -1.435   5.300
  421    HA   VAL  58           HA       VAL  58 -13.213  -2.596   3.315
  422    HB   VAL  58           HB       VAL  58 -11.448  -2.439   1.592
  423   HG11  VAL  58          HG11      VAL  58 -13.067  -0.625   1.773
  424   HG12  VAL  58          HG12      VAL  58 -11.492  -0.016   1.260
  425   HG13  VAL  58          HG13      VAL  58 -12.016   0.199   2.929
  426   HG21  VAL  58          HG21      VAL  58  -9.883  -0.885   3.649
  427   HG22  VAL  58          HG22      VAL  58  -9.416  -1.144   1.967
  428   HG23  VAL  58          HG23      VAL  58  -9.485  -2.509   3.083
  429    H    SER  59           HN       SER  59 -11.906  -4.485   2.036
  430    HA   SER  59           HA       SER  59 -10.509  -6.070   4.029
  431    HB2  SER  59           HB2      SER  59 -12.937  -7.007   2.485
  432    HB3  SER  59           HB1      SER  59 -11.942  -8.000   3.554
  433    HG   SER  59           HG       SER  59 -12.627  -5.776   4.821
  434    H    ILE  60           HN       ILE  60  -8.694  -6.546   3.129
  435    HA   ILE  60           HA       ILE  60  -8.520  -6.902   0.207
  436    HB   ILE  60           HB       ILE  60  -6.398  -6.076   2.196
  437   HG12  ILE  60          HG12      ILE  60  -7.786  -4.438   0.070
  438   HG13  ILE  60          HG11      ILE  60  -8.189  -4.400   1.783
  439   HG21  ILE  60          HG21      ILE  60  -5.449  -7.309   0.314
  440   HG22  ILE  60          HG22      ILE  60  -5.018  -5.603   0.216
  441   HG23  ILE  60          HG23      ILE  60  -6.292  -6.252  -0.819
  442   HD11  ILE  60          HD11      ILE  60  -5.555  -3.644   0.573
  443   HD12  ILE  60          HD12      ILE  60  -5.965  -3.585   2.289
  444   HD13  ILE  60          HD13      ILE  60  -6.796  -2.531   1.144
  445    HA   PRO  61           HA       PRO  61  -7.578 -11.201   1.255
  446    HB2  PRO  61           HB2      PRO  61  -6.743 -11.178  -1.595
  447    HB3  PRO  61           HB1      PRO  61  -7.850 -12.281  -0.777
  448    HG2  PRO  61           HG2      PRO  61  -8.789 -10.430  -2.426
  449    HG3  PRO  61           HG1      PRO  61  -9.635 -10.781  -0.904
  450    HD2  PRO  61           HD2      PRO  61  -7.814  -8.504  -1.584
  451    HD3  PRO  61           HD1      PRO  61  -9.338  -8.491  -0.670
  452    H    ASP  62           HN       ASP  62  -5.783 -12.082   1.895
  453    HA   ASP  62           HA       ASP  62  -3.395 -10.647   2.272
  454    HB2  ASP  62           HB2      ASP  62  -4.360 -12.642   3.576
  455    HB3  ASP  62           HB1      ASP  62  -3.619 -13.656   2.350
  456    H    ASP  63           HN       ASP  63  -4.243 -13.191   0.005
  457    HA   ASP  63           HA       ASP  63  -1.666 -13.472  -1.191
  458    HB2  ASP  63           HB2      ASP  63  -4.395 -14.383  -2.089
  459    HB3  ASP  63           HB1      ASP  63  -2.935 -14.710  -3.000
  460    H    VAL  64           HN       VAL  64  -4.127 -11.178  -1.614
  461    HA   VAL  64           HA       VAL  64  -3.307 -10.546  -4.326
  462    HB   VAL  64           HB       VAL  64  -5.364  -9.163  -2.552
  463   HG11  VAL  64          HG11      VAL  64  -6.056  -7.981  -4.591
  464   HG12  VAL  64          HG12      VAL  64  -4.730  -8.737  -5.477
  465   HG13  VAL  64          HG13      VAL  64  -4.384  -7.604  -4.172
  466   HG21  VAL  64          HG21      VAL  64  -5.706 -10.974  -4.937
  467   HG22  VAL  64          HG22      VAL  64  -7.008 -10.176  -4.050
  468   HG23  VAL  64          HG23      VAL  64  -6.023 -11.407  -3.260
  469    H    ALA  65           HN       ALA  65  -3.276  -9.136  -1.101
  470    HA   ALA  65           HA       ALA  65  -1.943  -6.727  -1.706
  471    HB1  ALA  65           HB1      ALA  65  -3.167  -7.127   0.383
  472    HB2  ALA  65           HB2      ALA  65  -1.512  -6.576   0.670
  473    HB3  ALA  65           HB3      ALA  65  -1.920  -8.278   0.872
  474    H    GLY  66           HN       GLY  66  -0.755  -9.946  -1.191
  475    HA2  GLY  66           HA2      GLY  66   1.990  -8.934  -1.247
  476    HA3  GLY  66           HA1      GLY  66   1.515 -10.587  -0.831
  477    H    ARG  67           HN       ARG  67  -0.017  -9.197  -3.552
  478    HA   ARG  67           HA       ARG  67   1.951 -10.412  -5.316
  479    HB2  ARG  67           HB2      ARG  67   0.047 -11.929  -4.901
  480    HB3  ARG  67           HB1      ARG  67  -1.050 -10.686  -5.464
  481    HG2  ARG  67           HG2      ARG  67  -0.076 -10.810  -7.670
  482    HG3  ARG  67           HG1      ARG  67   1.073 -12.022  -7.080
  483    HD2  ARG  67           HD2      ARG  67  -0.981 -12.910  -8.295
  484    HD3  ARG  67           HD1      ARG  67  -0.617 -13.614  -6.716
  485    HE   ARG  67           HE       ARG  67  -2.358 -12.408  -5.773
  486   HH11  ARG  67          HH11      ARG  67  -2.250 -11.916  -9.304
  487   HH12  ARG  67          HH12      ARG  67  -3.897 -11.518  -9.444
  488   HH21  ARG  67          HH21      ARG  67  -4.704 -12.059  -6.036
  489   HH22  ARG  67          HH22      ARG  67  -5.354 -11.619  -7.545
  490    H    VAL  68           HN       VAL  68   1.332  -7.680  -4.438
  491    HA   VAL  68           HA       VAL  68   0.379  -6.523  -6.909
  492    HB   VAL  68           HB       VAL  68   0.767  -4.265  -5.725
  493   HG11  VAL  68          HG11      VAL  68  -1.177  -6.236  -4.502
  494   HG12  VAL  68          HG12      VAL  68  -1.456  -5.288  -5.963
  495   HG13  VAL  68          HG13      VAL  68  -1.297  -4.479  -4.404
  496   HG21  VAL  68          HG21      VAL  68   0.898  -4.355  -3.282
  497   HG22  VAL  68          HG22      VAL  68   2.315  -5.130  -4.016
  498   HG23  VAL  68          HG23      VAL  68   0.998  -6.113  -3.369
  499    H    ASP  69           HN       ASP  69   1.776  -4.457  -7.594
  500    HA   ASP  69           HA       ASP  69   4.520  -5.508  -7.851
  501    HB2  ASP  69           HB2      ASP  69   3.262  -6.088  -9.854
  502    HB3  ASP  69           HB1      ASP  69   2.754  -4.419 -10.050
  503    H    THR  70           HN       THR  70   2.718  -2.664  -8.932
  504    HA   THR  70           HA       THR  70   4.906  -0.987  -8.041
  505    HB   THR  70           HB       THR  70   3.666   0.724  -9.381
  506    HG1  THR  70           HG1      THR  70   1.973  -0.525 -10.786
  507   HG21  THR  70          HG21      THR  70   4.044  -0.269 -11.607
  508   HG22  THR  70          HG22      THR  70   4.163  -1.869 -10.861
  509   HG23  THR  70          HG23      THR  70   5.374  -0.642 -10.507
  510    HA   PRO  71           HA       PRO  71   2.459   0.551  -4.535
  511    HB2  PRO  71           HB2      PRO  71   3.205   3.246  -5.607
  512    HB3  PRO  71           HB1      PRO  71   3.285   2.634  -3.948
  513    HG2  PRO  71           HG2      PRO  71   5.495   2.802  -5.351
  514    HG3  PRO  71           HG1      PRO  71   5.185   1.348  -4.375
  515    HD2  PRO  71           HD2      PRO  71   4.904   1.736  -7.331
  516    HD3  PRO  71           HD1      PRO  71   5.550   0.349  -6.432
  517    H    ARG  72           HN       ARG  72   2.128   1.957  -7.751
  518    HA   ARG  72           HA       ARG  72  -0.443   3.054  -7.265
  519    HB2  ARG  72           HB2      ARG  72  -0.763   3.380  -9.618
  520    HB3  ARG  72           HB1      ARG  72   0.938   3.615  -9.231
  521    HG2  ARG  72           HG2      ARG  72   1.534   1.541 -10.197
  522    HG3  ARG  72           HG1      ARG  72  -0.160   1.099 -10.416
  523    HD2  ARG  72           HD2      ARG  72   0.770   1.841 -12.515
  524    HD3  ARG  72           HD1      ARG  72  -0.436   2.995 -11.956
  525    HE   ARG  72           HE       ARG  72   2.470   3.372 -11.766
  526   HH11  ARG  72          HH11      ARG  72  -0.788   4.763 -12.022
  527   HH12  ARG  72          HH12      ARG  72  -0.246   6.299 -12.516
  528   HH21  ARG  72          HH21      ARG  72   3.213   5.629 -12.455
  529   HH22  ARG  72          HH22      ARG  72   2.016   6.778 -12.726
  530    H    GLU  73           HN       GLU  73   0.502  -0.178  -8.095
  531    HA   GLU  73           HA       GLU  73  -2.091  -1.226  -8.652
  532    HB2  GLU  73           HB2      GLU  73   0.246  -2.681  -7.383
  533    HB3  GLU  73           HB1      GLU  73  -1.207  -3.451  -7.986
  534    HG2  GLU  73           HG2      GLU  73   0.830  -1.952  -9.595
  535    HG3  GLU  73           HG1      GLU  73   0.632  -3.699  -9.520
  536    H    LEU  74           HN       LEU  74  -0.253  -0.932  -5.670
  537    HA   LEU  74           HA       LEU  74  -2.184  -2.215  -4.022
  538    HB2  LEU  74           HB2      LEU  74   0.338  -1.745  -3.560
  539    HB3  LEU  74           HB1      LEU  74  -0.180  -0.154  -3.071
  540    HG   LEU  74           HG       LEU  74   0.262  -1.652  -1.162
  541   HD11  LEU  74          HD11      LEU  74  -1.319   0.138  -0.802
  542   HD12  LEU  74          HD12      LEU  74  -1.777  -1.293   0.122
  543   HD13  LEU  74          HD13      LEU  74  -2.639  -0.889  -1.363
  544   HD21  LEU  74          HD21      LEU  74  -0.350  -3.770  -2.152
  545   HD22  LEU  74          HD22      LEU  74  -2.043  -3.277  -2.217
  546   HD23  LEU  74          HD23      LEU  74  -1.253  -3.514  -0.660
  547    H    LEU  75           HN       LEU  75  -1.538   1.135  -4.937
  548    HA   LEU  75           HA       LEU  75  -3.514   2.307  -3.330
  549    HB2  LEU  75           HB2      LEU  75  -1.695   3.597  -4.481
  550    HB3  LEU  75           HB1      LEU  75  -2.523   3.296  -6.001
  551    HG   LEU  75           HG       LEU  75  -4.428   4.610  -5.301
  552   HD11  LEU  75          HD11      LEU  75  -4.377   5.871  -3.216
  553   HD12  LEU  75          HD12      LEU  75  -2.885   5.046  -2.751
  554   HD13  LEU  75          HD13      LEU  75  -4.385   4.131  -2.939
  555   HD21  LEU  75          HD21      LEU  75  -3.360   6.806  -5.226
  556   HD22  LEU  75          HD22      LEU  75  -2.567   5.753  -6.399
  557   HD23  LEU  75          HD23      LEU  75  -1.816   6.047  -4.832
  558    H    ASP  76           HN       ASP  76  -3.576   1.194  -6.698
  559    HA   ASP  76           HA       ASP  76  -6.181   1.834  -7.438
  560    HB2  ASP  76           HB2      ASP  76  -4.538   0.985  -9.025
  561    HB3  ASP  76           HB1      ASP  76  -4.531  -0.579  -8.222
  562    H    LEU  77           HN       LEU  77  -4.966  -1.083  -5.932
  563    HA   LEU  77           HA       LEU  77  -7.239  -2.634  -5.838
  564    HB2  LEU  77           HB2      LEU  77  -5.006  -3.426  -5.311
  565    HB3  LEU  77           HB1      LEU  77  -4.978  -2.452  -3.862
  566    HG   LEU  77           HG       LEU  77  -6.791  -3.837  -2.917
  567   HD11  LEU  77          HD11      LEU  77  -7.378  -5.951  -4.000
  568   HD12  LEU  77          HD12      LEU  77  -6.402  -5.506  -5.398
  569   HD13  LEU  77          HD13      LEU  77  -7.840  -4.569  -4.992
  570   HD21  LEU  77          HD21      LEU  77  -4.459  -4.321  -2.425
  571   HD22  LEU  77          HD22      LEU  77  -4.358  -5.346  -3.858
  572   HD23  LEU  77          HD23      LEU  77  -5.404  -5.807  -2.513
  573    H    ILE  78           HN       ILE  78  -6.101  -0.317  -3.388
  574    HA   ILE  78           HA       ILE  78  -8.508  -0.762  -1.853
  575    HB   ILE  78           HB       ILE  78  -6.413   1.368  -1.340
  576   HG12  ILE  78          HG12      ILE  78  -6.583  -1.475  -0.301
  577   HG13  ILE  78          HG11      ILE  78  -5.329  -0.810  -1.339
  578   HG21  ILE  78          HG21      ILE  78  -8.511   1.770  -0.183
  579   HG22  ILE  78          HG22      ILE  78  -7.288   1.265   0.984
  580   HG23  ILE  78          HG23      ILE  78  -8.521   0.121   0.447
  581   HD11  ILE  78          HD11      ILE  78  -5.873  -0.076   1.529
  582   HD12  ILE  78          HD12      ILE  78  -4.649   0.687   0.509
  583   HD13  ILE  78          HD13      ILE  78  -4.514  -1.023   0.923
  584    H    ASN  79           HN       ASN  79  -7.357   1.467  -4.199
  585    HA   ASN  79           HA       ASN  79  -9.020   3.708  -3.752
  586    HB2  ASN  79           HB2      ASN  79  -7.044   3.128  -5.522
  587    HB3  ASN  79           HB1      ASN  79  -8.446   2.931  -6.560
  588   HD21  ASN  79          HD21      ASN  79  -6.438   5.099  -4.861
  589   HD22  ASN  79          HD22      ASN  79  -7.093   6.568  -5.464
  590    H    GLY  80           HN       GLY  80  -9.416   0.804  -5.693
  591    HA2  GLY  80           HA2      GLY  80 -12.058   1.416  -6.592
  592    HA3  GLY  80           HA1      GLY  80 -11.284  -0.166  -6.651
  593    H    ALA  81           HN       ALA  81 -10.725  -0.354  -3.886
  594    HA   ALA  81           HA       ALA  81 -13.136  -1.476  -2.937
  595    HB1  ALA  81           HB1      ALA  81 -10.931  -2.292  -2.243
  596    HB2  ALA  81           HB2      ALA  81 -11.929  -1.862  -0.851
  597    HB3  ALA  81           HB3      ALA  81 -10.645  -0.777  -1.387
  598    H    LEU  82           HN       LEU  82 -11.708   1.644  -2.621
  599    HA   LEU  82           HA       LEU  82 -13.420   2.472  -0.473
  600    HB2  LEU  82           HB2      LEU  82 -11.455   3.958  -2.178
  601    HB3  LEU  82           HB1      LEU  82 -12.392   4.732  -0.920
  602    HG   LEU  82           HG       LEU  82 -10.435   2.476  -0.490
  603   HD11  LEU  82          HD11      LEU  82 -10.211   5.414   0.097
  604   HD12  LEU  82          HD12      LEU  82  -9.331   4.526  -1.149
  605   HD13  LEU  82          HD13      LEU  82  -9.043   4.173   0.553
  606   HD21  LEU  82          HD21      LEU  82 -10.733   2.986   1.884
  607   HD22  LEU  82          HD22      LEU  82 -12.249   2.481   1.141
  608   HD23  LEU  82          HD23      LEU  82 -11.955   4.188   1.472
  609    H    ALA  83           HN       ALA  83 -13.932   2.090  -3.728
  610    HA   ALA  83           HA       ALA  83 -15.702   4.303  -4.109
  611    HB1  ALA  83           HB1      ALA  83 -15.592   1.632  -5.525
  612    HB2  ALA  83           HB2      ALA  83 -14.744   3.098  -6.018
  613    HB3  ALA  83           HB3      ALA  83 -16.506   3.042  -6.061
  614    H    GLU  84           HN       GLU  84 -15.991   0.971  -3.253
  615    HA   GLU  84           HA       GLU  84 -18.808   1.145  -2.562
  616    HB2  GLU  84           HB2      GLU  84 -18.407  -1.314  -1.948
  617    HB3  GLU  84           HB1      GLU  84 -18.243  -0.875  -3.644
  618    HG2  GLU  84           HG2      GLU  84 -15.841  -0.883  -3.474
  619    HG3  GLU  84           HG1      GLU  84 -15.929  -1.123  -1.732
  620    H    ALA  85           HN       ALA  85 -15.697   1.027  -1.048
  621    HA   ALA  85           HA       ALA  85 -14.884   1.173   0.961
  622    HB1  ALA  85           HB1      ALA  85 -15.817   2.878   2.461
  623    HB2  ALA  85           HB2      ALA  85 -17.282   2.961   1.454
  624    HB3  ALA  85           HB3      ALA  85 -15.724   3.413   0.795
  625    H    ALA  86           HN       ALA  86 -17.855   1.473   2.713
  626    HA   ALA  86           HA       ALA  86 -17.850  -1.296   3.450
  627    HB1  ALA  86           HB1      ALA  86 -17.798  -0.679   5.842
  628    HB2  ALA  86           HB2      ALA  86 -17.451   0.991   5.393
  629    HB3  ALA  86           HB3      ALA  86 -16.281  -0.281   5.033
  630    H28  SXD  87          H28B      SXD  87   3.302 -11.274   0.585
  631   H28A  SXD  87          H28A      SXD  87   3.562 -12.207   2.057
  632    H30  SXD  87          H30A      SXD  87   0.179 -13.060   1.025
  633   H30A  SXD  87          H30C      SXD  87   1.171 -12.293   2.261
  634   H30B  SXD  87          H30B      SXD  87   0.915 -11.484   0.704
  635    H31  SXD  87          H31A      SXD  87   1.958 -12.284  -1.308
  636   H31A  SXD  87          H31C      SXD  87   2.992 -13.714  -1.290
  637   H31B  SXD  87          H31B      SXD  87   1.246 -13.885  -1.111
  638    H32  SXD  87          H32A      SXD  87   2.630 -14.538   2.319
  639   HO33  SXD  87          H33A      SXD  87   2.945 -15.929   0.063
  640   HN36  SXD  87          H36A      SXD  87   0.041 -14.502   2.381
  641    H37  SXD  87          H37B      SXD  87  -1.074 -16.686   0.752
  642   H37A  SXD  87          H37A      SXD  87  -1.970 -15.310   1.402
  643    H38  SXD  87          H38A      SXD  87  -1.542 -16.132   3.713
  644   H38A  SXD  87          H38B      SXD  87  -2.572 -17.120   2.724
  645   HN41  SXD  87          H41A      SXD  87   0.514 -17.482   1.661
  646    H42  SXD  87          H42B      SXD  87   0.958 -20.068   1.768
  647   H42A  SXD  87          H42A      SXD  87   1.442 -19.634   3.397
  648    H43  SXD  87          H43B      SXD  87   3.245 -19.755   1.664
  649   H43A  SXD  87          H43A      SXD  87   2.542 -18.367   0.863
  650    H1   SXD  87           H1A      SXD  87   4.654 -19.742   3.827
  651    H1A  SXD  87           H1B      SXD  87   3.074 -19.427   4.564
  652    H2   SXD  87           H2A      SXD  87   4.064 -17.707   5.891
  653    H2A  SXD  87           H2B      SXD  87   5.627 -17.871   5.069
  654    H4   SXD  87           H4B      SXD  87   5.018 -19.504   8.552
  655    H4A  SXD  87           H4A      SXD  87   3.685 -18.690   7.734
  656    H6   SXD  87           H6C      SXD  87   3.908 -22.621   8.856
  657    H6A  SXD  87           H6A      SXD  87   5.221 -22.011   7.840
  658    H6B  SXD  87           H6B      SXD  87   3.799 -22.756   7.095
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -17.515  12.360  -2.883
    2    H2   MET   1           HT2      MET   1 -16.278  11.277  -3.279
    3    H3   MET   1           HT3      MET   1 -16.567  11.621  -1.662
    4    HA   MET   1           HA       MET   1 -18.743  10.549  -1.885
    5    HB2  MET   1           HB2      MET   1 -19.020  10.902  -4.306
    6    HB3  MET   1           HB1      MET   1 -17.624   9.886  -4.629
    7    HG2  MET   1           HG2      MET   1 -18.825   7.952  -3.752
    8    HG3  MET   1           HG1      MET   1 -20.216   8.973  -3.399
    9    HE1  MET   1           HE1      MET   1 -17.882   9.265  -6.563
   10    HE2  MET   1           HE2      MET   1 -18.695   8.197  -7.705
   11    HE3  MET   1           HE3      MET   1 -17.916   7.525  -6.272
   12    H    ALA   2           HN       ALA   2 -18.661   8.714  -0.771
   13    HA   ALA   2           HA       ALA   2 -17.843   7.003   0.427
   14    HB1  ALA   2           HB1      ALA   2 -16.101   6.486  -2.008
   15    HB2  ALA   2           HB2      ALA   2 -17.725   5.844  -1.761
   16    HB3  ALA   2           HB3      ALA   2 -16.406   5.339  -0.703
   17    H    THR   3           HN       THR   3 -15.251   5.959   0.754
   18    HA   THR   3           HA       THR   3 -13.748   8.371   1.346
   19    HB   THR   3           HB       THR   3 -14.593   7.433   3.450
   20    HG1  THR   3           HG1      THR   3 -12.516   6.979   4.475
   21   HG21  THR   3          HG21      THR   3 -14.928   5.102   2.849
   22   HG22  THR   3          HG22      THR   3 -13.878   5.187   4.263
   23   HG23  THR   3          HG23      THR   3 -13.195   4.860   2.666
   24    H    LEU   4           HN       LEU   4 -12.222   8.455  -0.101
   25    HA   LEU   4           HA       LEU   4 -11.020   5.968  -1.045
   26    HB2  LEU   4           HB2      LEU   4 -10.805   8.764  -2.179
   27    HB3  LEU   4           HB1      LEU   4 -10.071   7.331  -2.858
   28    HG   LEU   4           HG       LEU   4 -13.042   7.815  -2.625
   29   HD11  LEU   4          HD11      LEU   4 -11.224   7.846  -5.028
   30   HD12  LEU   4          HD12      LEU   4 -12.003   9.246  -4.290
   31   HD13  LEU   4          HD13      LEU   4 -12.980   7.995  -5.056
   32   HD21  LEU   4          HD21      LEU   4 -12.482   5.442  -2.453
   33   HD22  LEU   4          HD22      LEU   4 -11.514   5.552  -3.923
   34   HD23  LEU   4          HD23      LEU   4 -13.260   5.792  -3.997
   35    H    LEU   5           HN       LEU   5  -8.713   5.931  -1.335
   36    HA   LEU   5           HA       LEU   5  -7.404   6.897   1.060
   37    HB2  LEU   5           HB2      LEU   5  -7.222   4.555   0.526
   38    HB3  LEU   5           HB1      LEU   5  -6.687   4.920  -1.097
   39    HG   LEU   5           HG       LEU   5  -4.597   5.854  -0.183
   40   HD11  LEU   5          HD11      LEU   5  -5.665   4.837   2.416
   41   HD12  LEU   5          HD12      LEU   5  -5.410   6.529   1.964
   42   HD13  LEU   5          HD13      LEU   5  -4.023   5.437   2.131
   43   HD21  LEU   5          HD21      LEU   5  -5.245   3.064   0.689
   44   HD22  LEU   5          HD22      LEU   5  -3.640   3.777   0.539
   45   HD23  LEU   5          HD23      LEU   5  -4.647   3.568  -0.904
   46    H    THR   6           HN       THR   6  -5.934   8.502   0.988
   47    HA   THR   6           HA       THR   6  -5.431   9.731  -1.548
   48    HB   THR   6           HB       THR   6  -4.112  11.372  -0.142
   49    HG1  THR   6           HG1      THR   6  -5.007  11.005   2.220
   50   HG21  THR   6          HG21      THR   6  -6.990  10.895   0.658
   51   HG22  THR   6          HG22      THR   6  -6.444  11.808  -0.751
   52   HG23  THR   6          HG23      THR   6  -6.102  12.405   0.873
   53    H    THR   7           HN       THR   7  -3.282  10.074  -2.351
   54    HA   THR   7           HA       THR   7  -1.720   7.750  -2.252
   55    HB   THR   7           HB       THR   7  -0.873  10.453  -3.303
   56    HG1  THR   7           HG1      THR   7  -2.145   9.788  -5.203
   57   HG21  THR   7          HG21      THR   7  -0.523   7.617  -4.295
   58   HG22  THR   7          HG22      THR   7   0.712   8.570  -3.471
   59   HG23  THR   7          HG23      THR   7   0.130   9.062  -5.064
   60    H    ASP   8           HN       ASP   8  -1.720  10.809  -0.619
   61    HA   ASP   8           HA       ASP   8   0.865  10.740   0.516
   62    HB2  ASP   8           HB2      ASP   8  -1.673  12.137   1.351
   63    HB3  ASP   8           HB1      ASP   8  -0.214  12.230   2.324
   64    H    ASP   9           HN       ASP   9  -2.269   9.489   1.637
   65    HA   ASP   9           HA       ASP   9  -1.228   8.669   4.163
   66    HB2  ASP   9           HB2      ASP   9  -3.762   8.937   3.345
   67    HB3  ASP   9           HB1      ASP   9  -3.517   7.269   2.912
   68    H    LEU  10           HN       LEU  10  -1.769   7.171   1.069
   69    HA   LEU  10           HA       LEU  10  -1.130   4.534   1.634
   70    HB2  LEU  10           HB2      LEU  10  -2.094   5.424  -0.506
   71    HB3  LEU  10           HB1      LEU  10  -0.532   6.080  -0.907
   72    HG   LEU  10           HG       LEU  10  -1.196   4.002  -2.154
   73   HD11  LEU  10          HD11      LEU  10   1.321   3.752  -0.539
   74   HD12  LEU  10          HD12      LEU  10   1.131   4.624  -2.058
   75   HD13  LEU  10          HD13      LEU  10   0.950   2.869  -2.019
   76   HD21  LEU  10          HD21      LEU  10  -0.981   1.841  -1.033
   77   HD22  LEU  10          HD22      LEU  10  -2.301   2.806  -0.372
   78   HD23  LEU  10          HD23      LEU  10  -0.779   2.674   0.509
   79    H    ARG  11           HN       ARG  11   1.025   7.211   0.688
   80    HA   ARG  11           HA       ARG  11   3.321   5.573   0.919
   81    HB2  ARG  11           HB2      ARG  11   4.696   7.611   0.729
   82    HB3  ARG  11           HB1      ARG  11   3.469   7.494  -0.516
   83    HG2  ARG  11           HG2      ARG  11   2.127   9.150   0.655
   84    HG3  ARG  11           HG1      ARG  11   3.377   9.267   1.902
   85    HD2  ARG  11           HD2      ARG  11   4.986  10.027   0.295
   86    HD3  ARG  11           HD1      ARG  11   3.857   9.747  -1.027
   87    HE   ARG  11           HE       ARG  11   2.798  11.565   0.860
   88   HH11  ARG  11          HH11      ARG  11   5.286  11.396  -1.667
   89   HH12  ARG  11          HH12      ARG  11   5.049  13.029  -2.160
   90   HH21  ARG  11          HH21      ARG  11   2.438  13.775   0.041
   91   HH22  ARG  11          HH22      ARG  11   3.462  14.374  -1.190
   92    H    ARG  12           HN       ARG  12   1.595   7.480   3.262
   93    HA   ARG  12           HA       ARG  12   3.642   7.416   5.242
   94    HB2  ARG  12           HB2      ARG  12   0.654   7.424   5.751
   95    HB3  ARG  12           HB1      ARG  12   1.903   7.814   6.917
   96    HG2  ARG  12           HG2      ARG  12   2.512   9.756   5.465
   97    HG3  ARG  12           HG1      ARG  12   1.076   9.390   4.503
   98    HD2  ARG  12           HD2      ARG  12   0.360  11.019   6.025
   99    HD3  ARG  12           HD1      ARG  12  -0.206   9.492   6.711
  100    HE   ARG  12           HE       ARG  12   2.286  10.785   7.595
  101   HH11  ARG  12          HH11      ARG  12  -0.815   9.245   8.488
  102   HH12  ARG  12          HH12      ARG  12  -0.533   9.498  10.160
  103   HH21  ARG  12          HH21      ARG  12   2.571  11.069   9.783
  104   HH22  ARG  12          HH22      ARG  12   1.438  10.507  10.949
  105    H    ALA  13           HN       ALA  13   1.040   5.258   4.347
  106    HA   ALA  13           HA       ALA  13   1.206   3.416   6.415
  107    HB1  ALA  13           HB1      ALA  13   0.106   1.848   4.923
  108    HB2  ALA  13           HB2      ALA  13   0.509   2.864   3.537
  109    HB3  ALA  13           HB3      ALA  13  -0.605   3.453   4.769
  110    H    LEU  14           HN       LEU  14   2.896   3.303   3.240
  111    HA   LEU  14           HA       LEU  14   4.441   1.084   3.659
  112    HB2  LEU  14           HB2      LEU  14   4.878   3.602   2.100
  113    HB3  LEU  14           HB1      LEU  14   6.183   2.450   2.243
  114    HG   LEU  14           HG       LEU  14   4.663   0.734   1.262
  115   HD11  LEU  14          HD11      LEU  14   2.742   1.413  -0.024
  116   HD12  LEU  14          HD12      LEU  14   2.875   3.044   0.640
  117   HD13  LEU  14          HD13      LEU  14   2.525   1.680   1.704
  118   HD21  LEU  14          HD21      LEU  14   6.362   1.777  -0.085
  119   HD22  LEU  14          HD22      LEU  14   5.304   3.144  -0.415
  120   HD23  LEU  14          HD23      LEU  14   4.907   1.551  -1.055
  121    H    VAL  15           HN       VAL  15   5.326   4.434   4.408
  122    HA   VAL  15           HA       VAL  15   7.811   3.981   5.589
  123    HB   VAL  15           HB       VAL  15   5.790   6.157   6.253
  124   HG11  VAL  15          HG11      VAL  15   7.709   7.455   7.068
  125   HG12  VAL  15          HG12      VAL  15   8.764   6.070   6.786
  126   HG13  VAL  15          HG13      VAL  15   7.491   5.974   8.004
  127   HG21  VAL  15          HG21      VAL  15   7.098   7.535   4.699
  128   HG22  VAL  15          HG22      VAL  15   6.406   6.124   3.900
  129   HG23  VAL  15          HG23      VAL  15   8.115   6.142   4.329
  130    H    GLU  16           HN       GLU  16   4.711   4.458   7.267
  131    HA   GLU  16           HA       GLU  16   5.685   4.042   9.853
  132    HB2  GLU  16           HB2      GLU  16   2.886   3.725   8.801
  133    HB3  GLU  16           HB1      GLU  16   3.322   3.778  10.501
  134    HG2  GLU  16           HG2      GLU  16   3.796   5.976   8.511
  135    HG3  GLU  16           HG1      GLU  16   2.486   5.919   9.690
  136    H    SER  17           HN       SER  17   4.768   1.684   7.478
  137    HA   SER  17           HA       SER  17   4.550  -0.358   9.527
  138    HB2  SER  17           HB2      SER  17   4.263  -0.610   6.528
  139    HB3  SER  17           HB1      SER  17   3.854  -1.842   7.726
  140    HG   SER  17           HG       SER  17   2.634   0.572   7.112
  141    H    ALA  18           HN       ALA  18   7.001   1.020   7.688
  142    HA   ALA  18           HA       ALA  18   8.582  -1.453   7.821
  143    HB1  ALA  18           HB1      ALA  18   9.937  -0.580   6.013
  144    HB2  ALA  18           HB2      ALA  18   8.990   0.908   5.998
  145    HB3  ALA  18           HB3      ALA  18   8.237  -0.622   5.551
  146    H    GLY  19           HN       GLY  19   8.811   2.087   8.257
  147    HA2  GLY  19           HA2      GLY  19  10.015   2.404  10.545
  148    HA3  GLY  19           HA1      GLY  19  11.368   1.777   9.599
  149    H    GLU  20           HN       GLU  20  11.888   4.105  10.448
  150    HA   GLU  20           HA       GLU  20  10.785   6.281   9.050
  151    HB2  GLU  20           HB2      GLU  20  11.931   6.666  11.131
  152    HB3  GLU  20           HB1      GLU  20  13.429   6.015  10.483
  153    HG2  GLU  20           HG2      GLU  20  13.634   7.859   8.974
  154    HG3  GLU  20           HG1      GLU  20  12.056   8.475   9.456
  155    H    THR  21           HN       THR  21  10.722   6.211   6.959
  156    HA   THR  21           HA       THR  21  11.283   6.313   4.793
  157    HB   THR  21           HB       THR  21  14.084   7.095   5.718
  158    HG1  THR  21           HG1      THR  21  12.602   9.233   5.208
  159   HG21  THR  21          HG21      THR  21  12.443   7.925   3.304
  160   HG22  THR  21          HG22      THR  21  13.792   6.791   3.274
  161   HG23  THR  21          HG23      THR  21  14.072   8.484   3.685
  162    H    ASP  22           HN       ASP  22  11.410   3.775   6.031
  163    HA   ASP  22           HA       ASP  22  13.684   2.541   4.679
  164    HB2  ASP  22           HB2      ASP  22  13.149   1.786   7.026
  165    HB3  ASP  22           HB1      ASP  22  11.629   1.136   6.412
  166    H    GLY  23           HN       GLY  23  13.397   2.138   2.684
  167    HA2  GLY  23           HA2      GLY  23  12.184   0.812   1.016
  168    HA3  GLY  23           HA1      GLY  23  10.696   1.445   1.728
  169    H    THR  24           HN       THR  24  13.691   3.112   1.201
  170    HA   THR  24           HA       THR  24  14.306   4.970   0.268
  171    HB   THR  24           HB       THR  24  13.598   5.574  -2.035
  172    HG1  THR  24           HG1      THR  24  11.402   3.977  -1.388
  173   HG21  THR  24          HG21      THR  24  14.094   3.480  -3.171
  174   HG22  THR  24          HG22      THR  24  13.792   2.600  -1.672
  175   HG23  THR  24          HG23      THR  24  15.159   3.720  -1.777
  176    H    ASP  25           HN       ASP  25  12.888   7.115  -1.027
  177    HA   ASP  25           HA       ASP  25  11.121   7.856   1.189
  178    HB2  ASP  25           HB2      ASP  25  13.188   9.219   1.167
  179    HB3  ASP  25           HB1      ASP  25  12.864   9.682  -0.501
  180    H    LEU  26           HN       LEU  26   9.136   8.546   0.664
  181    HA   LEU  26           HA       LEU  26   8.474   8.012  -2.124
  182    HB2  LEU  26           HB2      LEU  26   6.684   8.021   0.306
  183    HB3  LEU  26           HB1      LEU  26   6.164   7.659  -1.321
  184    HG   LEU  26           HG       LEU  26   6.317   5.586  -0.300
  185   HD11  LEU  26          HD11      LEU  26   8.924   5.893  -1.747
  186   HD12  LEU  26          HD12      LEU  26   7.358   5.487  -2.446
  187   HD13  LEU  26          HD13      LEU  26   8.152   4.365  -1.344
  188   HD21  LEU  26          HD21      LEU  26   7.459   6.202   1.752
  189   HD22  LEU  26          HD22      LEU  26   8.988   6.347   0.887
  190   HD23  LEU  26          HD23      LEU  26   8.213   4.772   1.049
  191    H    SER  27           HN       SER  27   9.427  10.658  -1.025
  192    HA   SER  27           HA       SER  27   7.179  12.370  -1.523
  193    HB2  SER  27           HB2      SER  27  10.072  12.999  -1.481
  194    HB3  SER  27           HB1      SER  27   8.769  14.181  -1.304
  195    HG   SER  27           HG       SER  27   9.844  12.357   0.445
  196    H    GLY  28           HN       GLY  28   6.693  13.397  -3.408
  197    HA2  GLY  28           HA2      GLY  28   6.968  13.954  -5.673
  198    HA3  GLY  28           HA1      GLY  28   8.295  12.788  -5.780
  199    H    ASP  29           HN       ASP  29   7.102  11.933  -7.676
  200    HA   ASP  29           HA       ASP  29   4.738  10.408  -6.938
  201    HB2  ASP  29           HB2      ASP  29   4.799  11.452  -9.198
  202    HB3  ASP  29           HB1      ASP  29   6.199  10.455  -9.597
  203    H    PHE  30           HN       PHE  30   4.832   8.427  -6.274
  204    HA   PHE  30           HA       PHE  30   7.341   6.955  -6.673
  205    HB2  PHE  30           HB2      PHE  30   6.933   5.880  -4.499
  206    HB3  PHE  30           HB1      PHE  30   7.042   7.626  -4.340
  207    HD1  PHE  30           HD2      PHE  30   4.953   8.951  -3.966
  208    HD2  PHE  30           HD1      PHE  30   4.996   4.701  -3.888
  209    HE1  PHE  30           HE2      PHE  30   2.792   8.952  -2.805
  210    HE2  PHE  30           HE1      PHE  30   2.843   4.695  -2.730
  211    HZ   PHE  30           HZ       PHE  30   1.733   6.821  -2.184
  212    H    LEU  31           HN       LEU  31   4.580   7.081  -8.087
  213    HA   LEU  31           HA       LEU  31   3.666   4.386  -7.590
  214    HB2  LEU  31           HB2      LEU  31   2.472   6.609  -9.230
  215    HB3  LEU  31           HB1      LEU  31   1.859   4.974  -9.295
  216    HG   LEU  31           HG       LEU  31   1.444   5.140  -6.811
  217   HD11  LEU  31          HD11      LEU  31   1.954   8.065  -7.279
  218   HD12  LEU  31          HD12      LEU  31   2.906   6.971  -6.272
  219   HD13  LEU  31          HD13      LEU  31   1.244   7.352  -5.828
  220   HD21  LEU  31          HD21      LEU  31  -0.350   5.317  -8.430
  221   HD22  LEU  31          HD22      LEU  31  -0.039   7.045  -8.612
  222   HD23  LEU  31          HD23      LEU  31  -0.629   6.411  -7.077
  223    H    ASP  32           HN       ASP  32   5.969   5.717  -9.452
  224    HA   ASP  32           HA       ASP  32   5.571   3.808 -11.631
  225    HB2  ASP  32           HB2      ASP  32   6.057   6.191 -12.189
  226    HB3  ASP  32           HB1      ASP  32   7.596   6.050 -11.357
  227    H    LEU  33           HN       LEU  33   6.804   3.870  -8.687
  228    HA   LEU  33           HA       LEU  33   9.317   2.517  -9.021
  229    HB2  LEU  33           HB2      LEU  33   7.502   2.792  -6.644
  230    HB3  LEU  33           HB1      LEU  33   9.102   2.087  -6.585
  231    HG   LEU  33           HG       LEU  33   8.475   4.967  -7.243
  232   HD11  LEU  33          HD11      LEU  33   8.105   4.424  -4.897
  233   HD12  LEU  33          HD12      LEU  33   9.543   5.428  -5.086
  234   HD13  LEU  33          HD13      LEU  33   9.708   3.696  -4.799
  235   HD21  LEU  33          HD21      LEU  33  10.459   4.167  -8.417
  236   HD22  LEU  33          HD22      LEU  33  11.120   3.555  -6.901
  237   HD23  LEU  33          HD23      LEU  33  10.899   5.290  -7.130
  238    H    ARG  34           HN       ARG  34   9.616   0.340  -7.942
  239    HA   ARG  34           HA       ARG  34   7.316  -1.435  -8.306
  240    HB2  ARG  34           HB2      ARG  34  10.241  -1.845  -8.984
  241    HB3  ARG  34           HB1      ARG  34   9.063  -3.143  -8.920
  242    HG2  ARG  34           HG2      ARG  34   7.904  -2.312 -10.805
  243    HG3  ARG  34           HG1      ARG  34   8.786  -0.780 -10.756
  244    HD2  ARG  34           HD2      ARG  34  10.086  -3.459 -11.217
  245    HD3  ARG  34           HD1      ARG  34   9.583  -2.374 -12.514
  246    HE   ARG  34           HE       ARG  34  11.094  -0.707 -11.437
  247   HH11  ARG  34          HH11      ARG  34  11.793  -4.189 -11.073
  248   HH12  ARG  34          HH12      ARG  34  13.473  -3.927 -10.878
  249   HH21  ARG  34          HH21      ARG  34  13.389  -0.438 -11.252
  250   HH22  ARG  34          HH22      ARG  34  14.410  -1.765 -10.987
  251    H    PHE  35           HN       PHE  35   7.160  -2.927  -6.614
  252    HA   PHE  35           HA       PHE  35   8.387  -2.119  -4.211
  253    HB2  PHE  35           HB2      PHE  35   6.706  -4.529  -4.848
  254    HB3  PHE  35           HB1      PHE  35   7.393  -4.258  -3.248
  255    HD1  PHE  35           HD1      PHE  35   7.008  -1.631  -2.517
  256    HD2  PHE  35           HD2      PHE  35   4.524  -3.975  -5.029
  257    HE1  PHE  35           HE1      PHE  35   5.096  -0.195  -1.967
  258    HE2  PHE  35           HE2      PHE  35   2.609  -2.546  -4.491
  259    HZ   PHE  35           HZ       PHE  35   2.938  -0.618  -2.885
  260    H    GLU  36           HN       GLU  36   9.251  -4.504  -6.561
  261    HA   GLU  36           HA       GLU  36  11.122  -5.885  -4.972
  262    HB2  GLU  36           HB2      GLU  36  12.041  -6.726  -7.035
  263    HB3  GLU  36           HB1      GLU  36  10.290  -6.694  -7.174
  264    HG2  GLU  36           HG2      GLU  36  10.382  -4.707  -8.516
  265    HG3  GLU  36           HG1      GLU  36  12.119  -4.574  -8.270
  266    H    ASP  37           HN       ASP  37  11.297  -2.810  -6.719
  267    HA   ASP  37           HA       ASP  37  14.165  -2.804  -6.361
  268    HB2  ASP  37           HB2      ASP  37  14.391  -1.177  -7.994
  269    HB3  ASP  37           HB1      ASP  37  12.939  -1.992  -8.528
  270    H    ILE  38           HN       ILE  38  11.498  -1.768  -4.695
  271    HA   ILE  38           HA       ILE  38  13.235   0.016  -3.176
  272    HB   ILE  38           HB       ILE  38  11.238   1.007  -2.108
  273   HG12  ILE  38          HG12      ILE  38   9.673  -0.697  -4.074
  274   HG13  ILE  38          HG11      ILE  38   9.699  -0.908  -2.327
  275   HG21  ILE  38          HG21      ILE  38  12.207   2.080  -4.039
  276   HG22  ILE  38          HG22      ILE  38  10.452   2.260  -4.079
  277   HG23  ILE  38          HG23      ILE  38  11.241   1.076  -5.119
  278   HD11  ILE  38          HD11      ILE  38   8.616   1.488  -3.803
  279   HD12  ILE  38          HD12      ILE  38   8.638   1.279  -2.052
  280   HD13  ILE  38          HD13      ILE  38   7.666   0.203  -3.054
  281    H    GLY  39           HN       GLY  39  12.686  -3.006  -3.153
  282    HA2  GLY  39           HA2      GLY  39  13.201  -4.632  -1.618
  283    HA3  GLY  39           HA1      GLY  39  13.634  -3.350  -0.506
  284    H    TYR  40           HN       TYR  40  10.484  -4.022  -1.969
  285    HA   TYR  40           HA       TYR  40   9.437  -4.283   0.741
  286    HB2  TYR  40           HB2      TYR  40   8.400  -2.991  -1.667
  287    HB3  TYR  40           HB1      TYR  40   7.219  -3.895  -0.736
  288    HD1  TYR  40           HD1      TYR  40   9.737  -1.192  -0.521
  289    HD2  TYR  40           HD2      TYR  40   6.349  -3.027   1.256
  290    HE1  TYR  40           HE1      TYR  40   9.547   0.686   1.036
  291    HE2  TYR  40           HE2      TYR  40   6.132  -1.167   2.820
  292    HH   TYR  40           HH       TYR  40   7.598   0.639   3.797
  293    H    ASP  41           HN       ASP  41   8.658  -6.018   1.408
  294    HA   ASP  41           HA       ASP  41   8.315  -8.308  -0.361
  295    HB2  ASP  41           HB2      ASP  41   8.274  -8.066   2.647
  296    HB3  ASP  41           HB1      ASP  41   8.016  -9.557   1.771
  297    H    SER  42           HN       SER  42   6.463  -9.639  -0.095
  298    HA   SER  42           HA       SER  42   4.023  -8.214  -0.251
  299    HB2  SER  42           HB2      SER  42   3.315 -10.882   0.211
  300    HB3  SER  42           HB1      SER  42   3.487 -10.084  -1.352
  301    H    LEU  43           HN       LEU  43   5.537 -10.009   2.315
  302    HA   LEU  43           HA       LEU  43   3.484  -9.981   4.197
  303    HB2  LEU  43           HB2      LEU  43   5.633 -11.164   4.483
  304    HB3  LEU  43           HB1      LEU  43   6.447  -9.624   4.666
  305    HG   LEU  43           HG       LEU  43   5.196  -9.216   6.747
  306   HD11  LEU  43          HD11      LEU  43   4.115 -11.998   6.316
  307   HD12  LEU  43          HD12      LEU  43   3.189 -10.498   6.250
  308   HD13  LEU  43          HD13      LEU  43   3.908 -11.023   7.772
  309   HD21  LEU  43          HD21      LEU  43   6.647 -11.857   6.655
  310   HD22  LEU  43          HD22      LEU  43   6.349 -10.896   8.103
  311   HD23  LEU  43          HD23      LEU  43   7.393 -10.269   6.830
  312    H    ALA  44           HN       ALA  44   5.928  -7.527   3.490
  313    HA   ALA  44           HA       ALA  44   5.022  -5.612   5.386
  314    HB1  ALA  44           HB1      ALA  44   6.406  -4.020   4.149
  315    HB2  ALA  44           HB2      ALA  44   6.566  -5.170   2.822
  316    HB3  ALA  44           HB3      ALA  44   7.274  -5.534   4.397
  317    H    LEU  45           HN       LEU  45   4.162  -6.347   2.100
  318    HA   LEU  45           HA       LEU  45   2.658  -4.021   1.604
  319    HB2  LEU  45           HB2      LEU  45   2.485  -6.731   0.324
  320    HB3  LEU  45           HB1      LEU  45   1.648  -5.306  -0.258
  321    HG   LEU  45           HG       LEU  45   4.627  -5.681  -0.101
  322   HD11  LEU  45          HD11      LEU  45   4.519  -5.615  -2.521
  323   HD12  LEU  45          HD12      LEU  45   2.767  -5.431  -2.440
  324   HD13  LEU  45          HD13      LEU  45   3.517  -6.935  -1.890
  325   HD21  LEU  45          HD21      LEU  45   2.987  -3.359  -1.070
  326   HD22  LEU  45          HD22      LEU  45   4.742  -3.497  -1.194
  327   HD23  LEU  45          HD23      LEU  45   3.964  -3.396   0.393
  328    H    MET  46           HN       MET  46   1.701  -7.267   2.657
  329    HA   MET  46           HA       MET  46  -1.028  -6.575   2.827
  330    HB2  MET  46           HB2      MET  46  -1.376  -8.693   4.043
  331    HB3  MET  46           HB1      MET  46  -0.392  -8.928   2.616
  332    HG2  MET  46           HG2      MET  46   0.637 -10.269   4.191
  333    HG3  MET  46           HG1      MET  46   1.597  -8.813   4.211
  334    HE1  MET  46           HE1      MET  46  -1.962  -9.227   5.852
  335    HE2  MET  46           HE2      MET  46  -1.535  -9.750   7.481
  336    HE3  MET  46           HE3      MET  46  -1.222 -10.808   6.105
  337    H    GLU  47           HN       GLU  47   1.615  -6.388   5.103
  338    HA   GLU  47           HA       GLU  47   0.142  -5.572   7.342
  339    HB2  GLU  47           HB2      GLU  47   2.928  -5.132   6.411
  340    HB3  GLU  47           HB1      GLU  47   2.408  -4.344   7.897
  341    HG2  GLU  47           HG2      GLU  47   1.803  -6.689   8.686
  342    HG3  GLU  47           HG1      GLU  47   2.664  -7.270   7.258
  343    H    THR  48           HN       THR  48   1.508  -3.768   4.674
  344    HA   THR  48           HA       THR  48   0.842  -1.169   5.477
  345    HB   THR  48           HB       THR  48   1.120  -2.361   2.697
  346    HG1  THR  48           HG1      THR  48   3.026  -2.522   3.916
  347   HG21  THR  48          HG21      THR  48   1.202   0.536   3.565
  348   HG22  THR  48          HG22      THR  48  -0.069  -0.219   2.600
  349   HG23  THR  48          HG23      THR  48   1.565  -0.063   1.948
  350    H    ALA  49           HN       ALA  49  -0.918  -3.460   3.315
  351    HA   ALA  49           HA       ALA  49  -3.163  -1.929   2.850
  352    HB1  ALA  49           HB1      ALA  49  -4.254  -4.031   2.263
  353    HB2  ALA  49           HB2      ALA  49  -2.959  -4.936   3.049
  354    HB3  ALA  49           HB3      ALA  49  -2.615  -3.974   1.610
  355    H    ALA  50           HN       ALA  50  -2.588  -4.383   5.350
  356    HA   ALA  50           HA       ALA  50  -4.948  -4.492   6.703
  357    HB1  ALA  50           HB1      ALA  50  -2.946  -5.817   7.224
  358    HB2  ALA  50           HB2      ALA  50  -3.672  -5.101   8.668
  359    HB3  ALA  50           HB3      ALA  50  -2.227  -4.382   7.959
  360    H    ARG  51           HN       ARG  51  -2.374  -2.165   7.258
  361    HA   ARG  51           HA       ARG  51  -3.474  -0.725   9.375
  362    HB2  ARG  51           HB2      ARG  51  -1.177  -0.447   8.840
  363    HB3  ARG  51           HB1      ARG  51  -1.546   0.021   7.188
  364    HG2  ARG  51           HG2      ARG  51  -2.481   2.112   7.970
  365    HG3  ARG  51           HG1      ARG  51  -2.195   1.633   9.643
  366    HD2  ARG  51           HD2      ARG  51   0.155   1.604   9.287
  367    HD3  ARG  51           HD1      ARG  51  -0.041   1.888   7.564
  368    HE   ARG  51           HE       ARG  51  -0.764   4.103   7.982
  369   HH11  ARG  51          HH11      ARG  51   0.431   2.525  10.963
  370   HH12  ARG  51          HH12      ARG  51   0.736   3.989  11.766
  371   HH21  ARG  51          HH21      ARG  51  -0.367   6.073   9.088
  372   HH22  ARG  51          HH22      ARG  51   0.278   6.076  10.673
  373    H    LEU  52           HN       LEU  52  -3.829  -0.285   5.918
  374    HA   LEU  52           HA       LEU  52  -5.367   2.120   6.192
  375    HB2  LEU  52           HB2      LEU  52  -4.842   0.392   3.780
  376    HB3  LEU  52           HB1      LEU  52  -5.534   2.005   3.754
  377    HG   LEU  52           HG       LEU  52  -2.753   1.327   4.712
  378   HD11  LEU  52          HD11      LEU  52  -1.989   2.479   2.718
  379   HD12  LEU  52          HD12      LEU  52  -3.661   2.680   2.192
  380   HD13  LEU  52          HD13      LEU  52  -2.961   1.064   2.313
  381   HD21  LEU  52          HD21      LEU  52  -2.419   3.741   4.761
  382   HD22  LEU  52          HD22      LEU  52  -3.700   3.241   5.869
  383   HD23  LEU  52          HD23      LEU  52  -4.109   3.983   4.323
  384    H    GLU  53           HN       GLU  53  -5.997  -1.252   5.368
  385    HA   GLU  53           HA       GLU  53  -8.715  -1.216   4.782
  386    HB2  GLU  53           HB2      GLU  53  -7.084  -3.239   6.296
  387    HB3  GLU  53           HB1      GLU  53  -8.737  -3.537   5.763
  388    HG2  GLU  53           HG2      GLU  53  -7.815  -3.248   3.406
  389    HG3  GLU  53           HG1      GLU  53  -6.231  -3.191   4.168
  390    H    SER  54           HN       SER  54  -7.027  -1.387   7.851
  391    HA   SER  54           HA       SER  54  -9.135  -1.837   9.571
  392    HB2  SER  54           HB2      SER  54  -6.741  -2.040  10.159
  393    HB3  SER  54           HB1      SER  54  -6.594  -0.286  10.109
  394    HG   SER  54           HG       SER  54  -8.253  -1.815  11.791
  395    H    ARG  55           HN       ARG  55  -7.910   1.239   8.292
  396    HA   ARG  55           HA       ARG  55  -9.592   2.785  10.072
  397    HB2  ARG  55           HB2      ARG  55  -7.360   3.549   9.211
  398    HB3  ARG  55           HB1      ARG  55  -8.131   3.772   7.643
  399    HG2  ARG  55           HG2      ARG  55  -9.791   5.277   8.820
  400    HG3  ARG  55           HG1      ARG  55  -8.704   5.229  10.208
  401    HD2  ARG  55           HD2      ARG  55  -8.224   6.343   7.473
  402    HD3  ARG  55           HD1      ARG  55  -8.097   7.155   9.031
  403    HE   ARG  55           HE       ARG  55  -6.279   5.228   9.244
  404   HH11  ARG  55          HH11      ARG  55  -6.752   7.959   7.072
  405   HH12  ARG  55          HH12      ARG  55  -5.205   7.795   6.334
  406   HH21  ARG  55          HH21      ARG  55  -4.199   4.969   8.126
  407   HH22  ARG  55          HH22      ARG  55  -3.813   6.047   6.827
  408    H    TYR  56           HN       TYR  56  -9.454   2.062   6.620
  409    HA   TYR  56           HA       TYR  56 -11.759   3.648   6.068
  410    HB2  TYR  56           HB2      TYR  56 -10.121   1.808   4.333
  411    HB3  TYR  56           HB1      TYR  56 -11.493   2.732   3.740
  412    HD1  TYR  56           HD2      TYR  56 -11.355   5.173   3.549
  413    HD2  TYR  56           HD1      TYR  56  -7.998   2.911   4.833
  414    HE1  TYR  56           HE2      TYR  56  -9.906   7.105   3.121
  415    HE2  TYR  56           HE1      TYR  56  -6.534   4.841   4.408
  416    HH   TYR  56           HH       TYR  56  -7.671   7.986   3.889
  417    H    GLY  57           HN       GLY  57 -11.365   0.506   7.192
  418    HA2  GLY  57           HA2      GLY  57 -12.975  -0.981   7.865
  419    HA3  GLY  57           HA1      GLY  57 -14.193   0.131   7.262
  420    H    VAL  58           HN       VAL  58 -11.577  -1.761   5.757
  421    HA   VAL  58           HA       VAL  58 -13.631  -2.992   4.089
  422    HB   VAL  58           HB       VAL  58 -12.176  -2.949   2.095
  423   HG11  VAL  58          HG11      VAL  58 -12.631  -0.232   3.252
  424   HG12  VAL  58          HG12      VAL  58 -13.840  -1.193   2.382
  425   HG13  VAL  58          HG13      VAL  58 -12.399  -0.590   1.544
  426   HG21  VAL  58          HG21      VAL  58  -9.997  -2.803   3.195
  427   HG22  VAL  58          HG22      VAL  58 -10.374  -1.161   3.726
  428   HG23  VAL  58          HG23      VAL  58 -10.194  -1.512   2.008
  429    H    SER  59           HN       SER  59 -12.611  -4.875   2.807
  430    HA   SER  59           HA       SER  59 -10.584  -6.263   4.368
  431    HB2  SER  59           HB2      SER  59 -13.228  -7.468   3.501
  432    HB3  SER  59           HB1      SER  59 -11.923  -8.307   4.341
  433    HG   SER  59           HG       SER  59 -12.239  -6.492   5.941
  434    H    ILE  60           HN       ILE  60  -9.042  -6.417   2.917
  435    HA   ILE  60           HA       ILE  60  -9.669  -7.241   0.156
  436    HB   ILE  60           HB       ILE  60  -7.267  -5.719   1.244
  437   HG12  ILE  60          HG12      ILE  60  -9.542  -4.739  -0.501
  438   HG13  ILE  60          HG11      ILE  60  -9.354  -4.392   1.213
  439   HG21  ILE  60          HG21      ILE  60  -7.967  -6.421  -1.610
  440   HG22  ILE  60          HG22      ILE  60  -6.646  -7.103  -0.665
  441   HG23  ILE  60          HG23      ILE  60  -6.622  -5.396  -1.107
  442   HD11  ILE  60          HD11      ILE  60  -8.655  -2.519  -0.160
  443   HD12  ILE  60          HD12      ILE  60  -7.480  -3.545  -0.981
  444   HD13  ILE  60          HD13      ILE  60  -7.289  -3.185   0.735
  445    HA   PRO  61           HA       PRO  61  -7.682 -11.156   1.182
  446    HB2  PRO  61           HB2      PRO  61  -6.842 -11.050  -1.667
  447    HB3  PRO  61           HB1      PRO  61  -7.696 -12.330  -0.797
  448    HG2  PRO  61           HG2      PRO  61  -8.967 -10.744  -2.526
  449    HG3  PRO  61           HG1      PRO  61  -9.749 -11.304  -1.037
  450    HD2  PRO  61           HD2      PRO  61  -8.630  -8.625  -1.700
  451    HD3  PRO  61           HD1      PRO  61 -10.029  -9.052  -0.695
  452    H    ASP  62           HN       ASP  62  -5.782 -11.390   2.098
  453    HA   ASP  62           HA       ASP  62  -3.704  -9.513   1.844
  454    HB2  ASP  62           HB2      ASP  62  -2.389 -11.043   3.352
  455    HB3  ASP  62           HB1      ASP  62  -3.955 -10.548   3.972
  456    H    ASP  63           HN       ASP  63  -4.126 -12.632   0.309
  457    HA   ASP  63           HA       ASP  63  -1.498 -12.930  -0.710
  458    HB2  ASP  63           HB2      ASP  63  -3.169 -14.744  -0.790
  459    HB3  ASP  63           HB1      ASP  63  -4.134 -13.814  -1.926
  460    H    VAL  64           HN       VAL  64  -4.355 -11.349  -1.952
  461    HA   VAL  64           HA       VAL  64  -3.293 -10.488  -4.444
  462    HB   VAL  64           HB       VAL  64  -5.605  -9.327  -2.850
  463   HG11  VAL  64          HG11      VAL  64  -6.425  -8.484  -4.997
  464   HG12  VAL  64          HG12      VAL  64  -4.973  -9.094  -5.790
  465   HG13  VAL  64          HG13      VAL  64  -4.848  -7.803  -4.593
  466   HG21  VAL  64          HG21      VAL  64  -5.931 -11.697  -3.285
  467   HG22  VAL  64          HG22      VAL  64  -5.607 -11.440  -5.001
  468   HG23  VAL  64          HG23      VAL  64  -7.040 -10.730  -4.256
  469    H    ALA  65           HN       ALA  65  -3.662  -8.974  -1.281
  470    HA   ALA  65           HA       ALA  65  -2.753  -6.396  -1.877
  471    HB1  ALA  65           HB1      ALA  65  -2.386  -6.144   0.512
  472    HB2  ALA  65           HB2      ALA  65  -2.462  -7.891   0.726
  473    HB3  ALA  65           HB3      ALA  65  -3.897  -7.002   0.209
  474    H    GLY  66           HN       GLY  66  -0.968  -9.332  -1.324
  475    HA2  GLY  66           HA2      GLY  66   1.545  -7.842  -1.260
  476    HA3  GLY  66           HA1      GLY  66   1.355  -9.542  -0.929
  477    H    ARG  67           HN       ARG  67  -0.438  -8.844  -3.737
  478    HA   ARG  67           HA       ARG  67   1.615 -10.157  -5.302
  479    HB2  ARG  67           HB2      ARG  67  -0.728 -10.989  -5.089
  480    HB3  ARG  67           HB1      ARG  67  -1.262  -9.523  -5.894
  481    HG2  ARG  67           HG2      ARG  67   0.269 -10.236  -7.794
  482    HG3  ARG  67           HG1      ARG  67   0.292 -11.818  -6.996
  483    HD2  ARG  67           HD2      ARG  67  -1.471 -11.767  -8.642
  484    HD3  ARG  67           HD1      ARG  67  -2.164 -11.823  -7.016
  485    HE   ARG  67           HE       ARG  67  -1.772  -9.212  -8.171
  486   HH11  ARG  67          HH11      ARG  67  -4.074 -11.645  -7.066
  487   HH12  ARG  67          HH12      ARG  67  -5.473 -10.846  -7.609
  488   HH21  ARG  67          HH21      ARG  67  -3.698  -8.082  -9.016
  489   HH22  ARG  67          HH22      ARG  67  -5.250  -8.737  -8.717
  490    H    VAL  68           HN       VAL  68   0.485  -7.104  -4.609
  491    HA   VAL  68           HA       VAL  68   0.505  -5.936  -7.199
  492    HB   VAL  68           HB       VAL  68   0.467  -3.751  -6.000
  493   HG11  VAL  68          HG11      VAL  68  -1.697  -4.064  -4.883
  494   HG12  VAL  68          HG12      VAL  68  -1.447  -5.810  -4.911
  495   HG13  VAL  68          HG13      VAL  68  -1.616  -4.921  -6.424
  496   HG21  VAL  68          HG21      VAL  68   1.871  -4.319  -4.073
  497   HG22  VAL  68          HG22      VAL  68   0.631  -5.430  -3.490
  498   HG23  VAL  68          HG23      VAL  68   0.308  -3.695  -3.549
  499    H    ASP  69           HN       ASP  69   2.158  -5.297  -8.388
  500    HA   ASP  69           HA       ASP  69   4.822  -5.671  -7.259
  501    HB2  ASP  69           HB2      ASP  69   3.963  -5.270 -10.138
  502    HB3  ASP  69           HB1      ASP  69   5.639  -5.410  -9.628
  503    H    THR  70           HN       THR  70   2.906  -3.128  -8.647
  504    HA   THR  70           HA       THR  70   5.058  -1.260  -7.921
  505    HB   THR  70           HB       THR  70   3.885   0.361  -9.398
  506    HG1  THR  70           HG1      THR  70   2.245  -1.889 -10.010
  507   HG21  THR  70          HG21      THR  70   4.368  -0.792 -11.544
  508   HG22  THR  70          HG22      THR  70   4.475  -2.324 -10.655
  509   HG23  THR  70          HG23      THR  70   5.641  -1.048 -10.346
  510    HA   PRO  71           HA       PRO  71   2.636   0.436  -4.485
  511    HB2  PRO  71           HB2      PRO  71   3.576   3.080  -5.500
  512    HB3  PRO  71           HB1      PRO  71   3.708   2.395  -3.876
  513    HG2  PRO  71           HG2      PRO  71   5.839   2.515  -5.440
  514    HG3  PRO  71           HG1      PRO  71   5.538   1.077  -4.442
  515    HD2  PRO  71           HD2      PRO  71   5.097   1.476  -7.373
  516    HD3  PRO  71           HD1      PRO  71   5.743   0.063  -6.511
  517    H    ARG  72           HN       ARG  72   2.503   1.651  -7.673
  518    HA   ARG  72           HA       ARG  72   0.202   3.250  -7.681
  519    HB2  ARG  72           HB2      ARG  72   1.895   2.837  -9.552
  520    HB3  ARG  72           HB1      ARG  72   1.025   1.350  -9.878
  521    HG2  ARG  72           HG2      ARG  72  -1.016   2.705 -10.288
  522    HG3  ARG  72           HG1      ARG  72  -0.024   4.157 -10.102
  523    HD2  ARG  72           HD2      ARG  72   0.293   1.989 -12.178
  524    HD3  ARG  72           HD1      ARG  72  -0.264   3.639 -12.448
  525    HE   ARG  72           HE       ARG  72   2.337   3.646 -11.314
  526   HH11  ARG  72          HH11      ARG  72   0.674   3.047 -14.421
  527   HH12  ARG  72          HH12      ARG  72   2.089   3.283 -15.348
  528   HH21  ARG  72          HH21      ARG  72   4.258   4.008 -12.653
  529   HH22  ARG  72          HH22      ARG  72   4.142   3.837 -14.336
  530    H    GLU  73           HN       GLU  73   0.615  -0.261  -8.191
  531    HA   GLU  73           HA       GLU  73  -2.075  -0.989  -8.548
  532    HB2  GLU  73           HB2      GLU  73   0.324  -2.492  -7.574
  533    HB3  GLU  73           HB1      GLU  73  -1.248  -3.247  -7.745
  534    HG2  GLU  73           HG2      GLU  73  -1.215  -3.033 -10.056
  535    HG3  GLU  73           HG1      GLU  73   0.092  -1.843 -10.010
  536    H    LEU  74           HN       LEU  74  -0.097  -0.670  -5.670
  537    HA   LEU  74           HA       LEU  74  -1.869  -1.983  -3.889
  538    HB2  LEU  74           HB2      LEU  74   0.643  -1.216  -3.602
  539    HB3  LEU  74           HB1      LEU  74  -0.067   0.256  -2.988
  540    HG   LEU  74           HG       LEU  74  -0.398  -2.509  -1.790
  541   HD11  LEU  74          HD11      LEU  74   1.825  -1.649  -1.481
  542   HD12  LEU  74          HD12      LEU  74   0.945  -1.647   0.046
  543   HD13  LEU  74          HD13      LEU  74   1.178  -0.140  -0.839
  544   HD21  LEU  74          HD21      LEU  74  -1.450  -1.389   0.117
  545   HD22  LEU  74          HD22      LEU  74  -2.379  -1.128  -1.360
  546   HD23  LEU  74          HD23      LEU  74  -1.347   0.155  -0.731
  547    H    LEU  75           HN       LEU  75  -1.412   1.451  -4.665
  548    HA   LEU  75           HA       LEU  75  -3.491   2.481  -3.042
  549    HB2  LEU  75           HB2      LEU  75  -1.704   3.869  -4.055
  550    HB3  LEU  75           HB1      LEU  75  -2.378   3.549  -5.640
  551    HG   LEU  75           HG       LEU  75  -4.436   4.758  -4.982
  552   HD11  LEU  75          HD11      LEU  75  -4.403   6.172  -3.008
  553   HD12  LEU  75          HD12      LEU  75  -2.866   5.456  -2.516
  554   HD13  LEU  75          HD13      LEU  75  -4.324   4.463  -2.591
  555   HD21  LEU  75          HD21      LEU  75  -1.864   6.304  -4.728
  556   HD22  LEU  75          HD22      LEU  75  -3.445   6.984  -5.107
  557   HD23  LEU  75          HD23      LEU  75  -2.671   5.867  -6.233
  558    H    ASP  76           HN       ASP  76  -3.335   1.451  -6.383
  559    HA   ASP  76           HA       ASP  76  -5.900   2.052  -7.300
  560    HB2  ASP  76           HB2      ASP  76  -3.977   1.353  -8.689
  561    HB3  ASP  76           HB1      ASP  76  -4.126  -0.272  -8.048
  562    H    LEU  77           HN       LEU  77  -4.640  -0.953  -5.930
  563    HA   LEU  77           HA       LEU  77  -6.911  -2.539  -6.019
  564    HB2  LEU  77           HB2      LEU  77  -4.676  -3.381  -5.564
  565    HB3  LEU  77           HB1      LEU  77  -4.646  -2.542  -4.031
  566    HG   LEU  77           HG       LEU  77  -6.489  -3.997  -3.238
  567   HD11  LEU  77          HD11      LEU  77  -7.478  -4.557  -5.383
  568   HD12  LEU  77          HD12      LEU  77  -7.038  -6.016  -4.493
  569   HD13  LEU  77          HD13      LEU  77  -6.030  -5.456  -5.831
  570   HD21  LEU  77          HD21      LEU  77  -4.170  -4.520  -2.719
  571   HD22  LEU  77          HD22      LEU  77  -4.023  -5.423  -4.228
  572   HD23  LEU  77          HD23      LEU  77  -5.106  -5.995  -2.955
  573    H    ILE  78           HN       ILE  78  -5.723  -0.534  -3.329
  574    HA   ILE  78           HA       ILE  78  -7.928  -1.184  -1.690
  575    HB   ILE  78           HB       ILE  78  -6.004   1.156  -1.428
  576   HG12  ILE  78          HG12      ILE  78  -6.092  -1.597  -0.167
  577   HG13  ILE  78          HG11      ILE  78  -4.888  -0.987  -1.292
  578   HG21  ILE  78          HG21      ILE  78  -6.798   1.298   0.904
  579   HG22  ILE  78          HG22      ILE  78  -7.982   0.029   0.573
  580   HG23  ILE  78          HG23      ILE  78  -8.116   1.587  -0.235
  581   HD11  ILE  78          HD11      ILE  78  -4.147   0.619   0.399
  582   HD12  ILE  78          HD12      ILE  78  -4.025  -1.050   0.962
  583   HD13  ILE  78          HD13      ILE  78  -5.350  -0.027   1.519
  584    H    ASN  79           HN       ASN  79  -7.241   1.691  -3.681
  585    HA   ASN  79           HA       ASN  79  -9.661   2.952  -3.043
  586    HB2  ASN  79           HB2      ASN  79  -7.661   3.387  -5.216
  587    HB3  ASN  79           HB1      ASN  79  -9.248   4.145  -5.381
  588   HD21  ASN  79          HD21      ASN  79  -6.616   5.410  -4.893
  589   HD22  ASN  79          HD22      ASN  79  -6.785   6.271  -3.425
  590    H    GLY  80           HN       GLY  80  -8.985   0.525  -5.411
  591    HA2  GLY  80           HA2      GLY  80 -11.468   0.665  -6.765
  592    HA3  GLY  80           HA1      GLY  80 -10.427  -0.754  -6.661
  593    H    ALA  81           HN       ALA  81 -10.362  -1.154  -3.950
  594    HA   ALA  81           HA       ALA  81 -12.769  -2.572  -3.516
  595    HB1  ALA  81           HB1      ALA  81 -10.603  -3.316  -2.639
  596    HB2  ALA  81           HB2      ALA  81 -11.802  -3.153  -1.356
  597    HB3  ALA  81           HB3      ALA  81 -10.561  -1.917  -1.566
  598    H    LEU  82           HN       LEU  82 -11.488   0.438  -2.291
  599    HA   LEU  82           HA       LEU  82 -13.451   1.045  -0.376
  600    HB2  LEU  82           HB2      LEU  82 -11.756   2.877  -2.069
  601    HB3  LEU  82           HB1      LEU  82 -12.722   3.409  -0.708
  602    HG   LEU  82           HG       LEU  82 -10.432   1.450  -0.525
  603   HD11  LEU  82          HD11      LEU  82 -10.566   4.362   0.222
  604   HD12  LEU  82          HD12      LEU  82  -9.647   3.676  -1.117
  605   HD13  LEU  82          HD13      LEU  82  -9.218   3.273   0.544
  606   HD21  LEU  82          HD21      LEU  82 -12.126   1.132   1.180
  607   HD22  LEU  82          HD22      LEU  82 -12.052   2.849   1.579
  608   HD23  LEU  82          HD23      LEU  82 -10.653   1.814   1.868
  609    H    ALA  83           HN       ALA  83 -13.253   1.750  -3.811
  610    HA   ALA  83           HA       ALA  83 -15.574   3.348  -3.969
  611    HB1  ALA  83           HB1      ALA  83 -15.390   3.038  -6.372
  612    HB2  ALA  83           HB2      ALA  83 -14.242   1.722  -6.124
  613    HB3  ALA  83           HB3      ALA  83 -13.811   3.368  -5.657
  614    H    GLU  84           HN       GLU  84 -15.072  -0.077  -3.977
  615    HA   GLU  84           HA       GLU  84 -17.746  -0.675  -4.901
  616    HB2  GLU  84           HB2      GLU  84 -15.454  -2.391  -3.967
  617    HB3  GLU  84           HB1      GLU  84 -17.033  -3.052  -4.366
  618    HG2  GLU  84           HG2      GLU  84 -15.306  -1.474  -6.261
  619    HG3  GLU  84           HG1      GLU  84 -15.388  -3.234  -6.197
  620    H    ALA  85           HN       ALA  85 -16.510   0.365  -2.048
  621    HA   ALA  85           HA       ALA  85 -18.255  -1.262  -0.379
  622    HB1  ALA  85           HB1      ALA  85 -15.929  -1.016   0.357
  623    HB2  ALA  85           HB2      ALA  85 -17.045  -0.276   1.506
  624    HB3  ALA  85           HB3      ALA  85 -16.123   0.737   0.392
  625    H    ALA  86           HN       ALA  86 -19.080   0.241   1.542
  626    HA   ALA  86           HA       ALA  86 -20.359   2.592   0.370
  627    HB1  ALA  86           HB1      ALA  86 -21.620   0.531   2.197
  628    HB2  ALA  86           HB2      ALA  86 -21.984   0.751   0.485
  629    HB3  ALA  86           HB3      ALA  86 -22.385   2.020   1.644
  630    H28  SXD  87          H28B      SXD  87   2.990 -12.015   1.186
  631   H28A  SXD  87          H28A      SXD  87   4.037 -12.245   2.587
  632    H30  SXD  87          H30A      SXD  87   1.148 -12.610   2.747
  633   H30A  SXD  87          H30C      SXD  87   1.130 -14.182   3.547
  634   H30B  SXD  87          H30B      SXD  87   2.303 -12.958   4.033
  635    H31  SXD  87          H31A      SXD  87   2.678 -14.805   0.214
  636   H31A  SXD  87          H31C      SXD  87   1.368 -15.314   1.279
  637   H31B  SXD  87          H31B      SXD  87   1.338 -13.708   0.551
  638    H32  SXD  87          H32A      SXD  87   4.351 -14.610   3.530
  639   HO33  SXD  87          H33A      SXD  87   4.072 -16.614   1.768
  640   HN36  SXD  87          H36A      SXD  87   3.259 -15.368   5.248
  641    H37  SXD  87          H37B      SXD  87   1.878 -17.952   5.062
  642   H37A  SXD  87          H37A      SXD  87   1.063 -16.642   5.898
  643    H38  SXD  87          H38A      SXD  87   2.224 -18.209   7.407
  644   H38A  SXD  87          H38B      SXD  87   3.764 -17.792   6.648
  645   HN41  SXD  87          H41A      SXD  87   1.395 -15.299   7.104
  646    H42  SXD  87          H42B      SXD  87   2.572 -13.320   8.143
  647   H42A  SXD  87          H42A      SXD  87   2.538 -14.275   9.605
  648    H43  SXD  87          H43B      SXD  87   0.228 -14.209   9.635
  649   H43A  SXD  87          H43A      SXD  87   0.606 -12.585   9.119
  650    H1   SXD  87           H1A      SXD  87  -1.842 -12.169   7.889
  651    H1A  SXD  87           H1B      SXD  87  -2.164 -13.629   8.845
  652    H2   SXD  87           H2A      SXD  87  -2.779 -13.193   5.913
  653    H2A  SXD  87           H2B      SXD  87  -3.938 -13.017   7.228
  654    H4   SXD  87           H4B      SXD  87  -4.243 -16.159   5.233
  655    H4A  SXD  87           H4A      SXD  87  -3.095 -14.913   4.741
  656    H6   SXD  87           H6C      SXD  87  -2.381 -18.859   5.404
  657    H6A  SXD  87           H6A      SXD  87  -3.230 -17.995   6.689
  658    H6B  SXD  87           H6B      SXD  87  -1.468 -18.143   6.738
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -20.276  10.390   0.934
    2    H2   MET   1           HT2      MET   1 -20.504   9.925  -0.667
    3    H3   MET   1           HT3      MET   1 -20.843  11.506  -0.224
    4    HA   MET   1           HA       MET   1 -18.791  11.305  -1.435
    5    HB2  MET   1           HB2      MET   1 -18.433  11.947   1.496
    6    HB3  MET   1           HB1      MET   1 -17.191  12.239   0.286
    7    HG2  MET   1           HG2      MET   1 -19.942  13.451   0.305
    8    HG3  MET   1           HG1      MET   1 -18.457  14.253   0.813
    9    HE1  MET   1           HE1      MET   1 -16.363  13.179  -1.347
   10    HE2  MET   1           HE2      MET   1 -16.456  14.868  -0.852
   11    HE3  MET   1           HE3      MET   1 -16.455  14.450  -2.567
   12    H    ALA   2           HN       ALA   2 -17.778   9.666  -2.202
   13    HA   ALA   2           HA       ALA   2 -17.095   7.376  -0.654
   14    HB1  ALA   2           HB1      ALA   2 -16.064   6.559  -2.719
   15    HB2  ALA   2           HB2      ALA   2 -16.258   8.148  -3.454
   16    HB3  ALA   2           HB3      ALA   2 -17.680   7.193  -3.029
   17    H    THR   3           HN       THR   3 -15.536   7.463   0.763
   18    HA   THR   3           HA       THR   3 -13.298   9.239   0.490
   19    HB   THR   3           HB       THR   3 -12.632   8.078   2.653
   20    HG1  THR   3           HG1      THR   3 -13.961   6.171   2.028
   21   HG21  THR   3          HG21      THR   3 -15.411   9.270   2.520
   22   HG22  THR   3          HG22      THR   3 -13.906  10.180   2.648
   23   HG23  THR   3          HG23      THR   3 -14.419   9.135   3.974
   24    H    LEU   4           HN       LEU   4 -11.804   8.643  -0.986
   25    HA   LEU   4           HA       LEU   4 -11.197   5.804  -1.374
   26    HB2  LEU   4           HB2      LEU   4 -10.277   8.204  -2.954
   27    HB3  LEU   4           HB1      LEU   4  -9.918   6.537  -3.299
   28    HG   LEU   4           HG       LEU   4 -12.639   7.818  -3.473
   29   HD11  LEU   4          HD11      LEU   4 -10.770   6.728  -5.564
   30   HD12  LEU   4          HD12      LEU   4 -11.138   8.424  -5.280
   31   HD13  LEU   4          HD13      LEU   4 -12.399   7.332  -5.865
   32   HD21  LEU   4          HD21      LEU   4 -11.799   4.970  -4.040
   33   HD22  LEU   4          HD22      LEU   4 -13.391   5.658  -4.355
   34   HD23  LEU   4          HD23      LEU   4 -12.814   5.498  -2.697
   35    H    LEU   5           HN       LEU   5  -8.749   5.652  -2.043
   36    HA   LEU   5           HA       LEU   5  -7.367   6.218   0.464
   37    HB2  LEU   5           HB2      LEU   5  -7.663   3.926  -0.772
   38    HB3  LEU   5           HB1      LEU   5  -6.410   4.521  -1.830
   39    HG   LEU   5           HG       LEU   5  -5.649   2.952  -0.104
   40   HD11  LEU   5          HD11      LEU   5  -3.714   4.248   0.705
   41   HD12  LEU   5          HD12      LEU   5  -4.490   5.717   0.090
   42   HD13  LEU   5          HD13      LEU   5  -4.009   4.440  -1.024
   43   HD21  LEU   5          HD21      LEU   5  -6.382   5.147   1.800
   44   HD22  LEU   5          HD22      LEU   5  -5.466   3.700   2.216
   45   HD23  LEU   5          HD23      LEU   5  -7.137   3.561   1.668
   46    H    THR   6           HN       THR   6  -5.826   7.849   0.490
   47    HA   THR   6           HA       THR   6  -5.282   9.062  -2.090
   48    HB   THR   6           HB       THR   6  -4.344  10.981  -0.818
   49    HG1  THR   6           HG1      THR   6  -5.177   9.458   1.461
   50   HG21  THR   6          HG21      THR   6  -6.713  10.991  -1.436
   51   HG22  THR   6          HG22      THR   6  -6.473  11.783   0.122
   52   HG23  THR   6          HG23      THR   6  -7.115  10.142   0.058
   53    H    THR   7           HN       THR   7  -3.101   9.894  -2.526
   54    HA   THR   7           HA       THR   7  -1.147   7.924  -2.484
   55    HB   THR   7           HB       THR   7   0.394   9.899  -3.044
   56    HG1  THR   7           HG1      THR   7  -0.968  11.765  -3.679
   57   HG21  THR   7          HG21      THR   7  -0.664   8.506  -4.768
   58   HG22  THR   7          HG22      THR   7  -0.623  10.198  -5.269
   59   HG23  THR   7          HG23      THR   7  -2.124   9.491  -4.670
   60    H    ASP   8           HN       ASP   8  -1.700  10.683  -0.409
   61    HA   ASP   8           HA       ASP   8   0.577  10.566   1.211
   62    HB2  ASP   8           HB2      ASP   8  -2.214  11.469   1.999
   63    HB3  ASP   8           HB1      ASP   8  -0.755  11.780   2.921
   64    H    ASP   9           HN       ASP   9  -2.562   8.968   1.514
   65    HA   ASP   9           HA       ASP   9  -2.112   7.738   4.031
   66    HB2  ASP   9           HB2      ASP   9  -3.808   6.676   1.766
   67    HB3  ASP   9           HB1      ASP   9  -3.814   6.051   3.402
   68    H    LEU  10           HN       LEU  10  -1.640   6.573   0.761
   69    HA   LEU  10           HA       LEU  10  -0.740   4.014   1.504
   70    HB2  LEU  10           HB2      LEU  10  -1.543   4.511  -0.743
   71    HB3  LEU  10           HB1      LEU  10  -0.178   5.577  -1.010
   72    HG   LEU  10           HG       LEU  10   1.357   3.661  -0.855
   73   HD11  LEU  10          HD11      LEU  10  -1.154   2.019  -0.627
   74   HD12  LEU  10          HD12      LEU  10   0.056   2.253   0.634
   75   HD13  LEU  10          HD13      LEU  10   0.478   1.390  -0.845
   76   HD21  LEU  10          HD21      LEU  10   0.501   4.343  -3.026
   77   HD22  LEU  10          HD22      LEU  10  -0.892   3.283  -2.822
   78   HD23  LEU  10          HD23      LEU  10   0.727   2.594  -2.958
   79    H    ARG  11           HN       ARG  11   1.032   6.935   0.621
   80    HA   ARG  11           HA       ARG  11   3.599   5.847   0.851
   81    HB2  ARG  11           HB2      ARG  11   3.071   7.936  -0.300
   82    HB3  ARG  11           HB1      ARG  11   2.673   8.688   1.232
   83    HG2  ARG  11           HG2      ARG  11   4.944   8.644   1.929
   84    HG3  ARG  11           HG1      ARG  11   5.404   7.629   0.552
   85    HD2  ARG  11           HD2      ARG  11   5.972  10.017   0.216
   86    HD3  ARG  11           HD1      ARG  11   4.844   9.395  -0.992
   87    HE   ARG  11           HE       ARG  11   3.926  10.863   1.363
   88   HH11  ARG  11          HH11      ARG  11   4.047  10.525  -2.199
   89   HH12  ARG  11          HH12      ARG  11   2.897  11.726  -2.509
   90   HH21  ARG  11          HH21      ARG  11   2.369  12.549   0.928
   91   HH22  ARG  11          HH22      ARG  11   1.921  12.927  -0.669
   92    H    ARG  12           HN       ARG  12   1.542   7.485   3.219
   93    HA   ARG  12           HA       ARG  12   3.431   7.325   5.288
   94    HB2  ARG  12           HB2      ARG  12   0.456   7.603   5.354
   95    HB3  ARG  12           HB1      ARG  12   1.407   7.516   6.823
   96    HG2  ARG  12           HG2      ARG  12   2.735   9.489   5.680
   97    HG3  ARG  12           HG1      ARG  12   1.219   9.680   4.786
   98    HD2  ARG  12           HD2      ARG  12   1.253  11.064   6.810
   99    HD3  ARG  12           HD1      ARG  12  -0.006   9.821   6.892
  100    HE   ARG  12           HE       ARG  12   2.355   8.807   7.964
  101   HH11  ARG  12          HH11      ARG  12   0.073  11.346   8.878
  102   HH12  ARG  12          HH12      ARG  12   0.155  10.993  10.551
  103   HH21  ARG  12          HH21      ARG  12   2.498   8.364  10.257
  104   HH22  ARG  12          HH22      ARG  12   1.612   9.317  11.343
  105    H    ALA  13           HN       ALA  13   0.941   5.104   4.216
  106    HA   ALA  13           HA       ALA  13   0.970   3.346   6.360
  107    HB1  ALA  13           HB1      ALA  13   0.517   2.643   3.463
  108    HB2  ALA  13           HB2      ALA  13  -0.703   3.265   4.573
  109    HB3  ALA  13           HB3      ALA  13   0.023   1.687   4.862
  110    H    LEU  14           HN       LEU  14   3.028   3.288   3.431
  111    HA   LEU  14           HA       LEU  14   4.481   1.020   4.113
  112    HB2  LEU  14           HB2      LEU  14   5.228   3.434   2.482
  113    HB3  LEU  14           HB1      LEU  14   6.405   2.185   2.817
  114    HG   LEU  14           HG       LEU  14   4.783   0.562   1.742
  115   HD11  LEU  14          HD11      LEU  14   3.208   1.436   0.129
  116   HD12  LEU  14          HD12      LEU  14   3.511   3.068   0.728
  117   HD13  LEU  14          HD13      LEU  14   2.779   1.863   1.786
  118   HD21  LEU  14          HD21      LEU  14   5.521   1.131  -0.525
  119   HD22  LEU  14          HD22      LEU  14   6.819   1.277   0.656
  120   HD23  LEU  14          HD23      LEU  14   6.013   2.723   0.051
  121    H    VAL  15           HN       VAL  15   5.166   4.395   4.913
  122    HA   VAL  15           HA       VAL  15   7.551   4.010   6.353
  123    HB   VAL  15           HB       VAL  15   5.430   6.140   6.813
  124   HG11  VAL  15          HG11      VAL  15   8.358   6.120   7.568
  125   HG12  VAL  15          HG12      VAL  15   6.998   6.004   8.681
  126   HG13  VAL  15          HG13      VAL  15   7.257   7.485   7.761
  127   HG21  VAL  15          HG21      VAL  15   6.209   6.124   4.508
  128   HG22  VAL  15          HG22      VAL  15   7.884   6.177   5.061
  129   HG23  VAL  15          HG23      VAL  15   6.813   7.549   5.355
  130    H    GLU  16           HN       GLU  16   4.211   4.290   7.566
  131    HA   GLU  16           HA       GLU  16   4.683   3.923  10.305
  132    HB2  GLU  16           HB2      GLU  16   2.255   3.059   8.725
  133    HB3  GLU  16           HB1      GLU  16   2.327   3.268  10.462
  134    HG2  GLU  16           HG2      GLU  16   2.656   5.457   8.422
  135    HG3  GLU  16           HG1      GLU  16   1.179   5.094   9.308
  136    H    SER  17           HN       SER  17   4.340   1.595   7.702
  137    HA   SER  17           HA       SER  17   4.126  -0.657   9.455
  138    HB2  SER  17           HB2      SER  17   3.060  -0.562   7.185
  139    HB3  SER  17           HB1      SER  17   4.671  -0.622   6.474
  140    HG   SER  17           HG       SER  17   3.703  -2.499   8.307
  141    H    ALA  18           HN       ALA  18   6.646   0.873   7.511
  142    HA   ALA  18           HA       ALA  18   8.560  -1.172   7.829
  143    HB1  ALA  18           HB1      ALA  18  10.155   0.421   6.928
  144    HB2  ALA  18           HB2      ALA  18   9.011   1.735   7.188
  145    HB3  ALA  18           HB3      ALA  18   8.648   0.471   6.011
  146    H    GLY  19           HN       GLY  19   8.133   1.932   9.549
  147    HA2  GLY  19           HA2      GLY  19   8.724   1.065  12.038
  148    HA3  GLY  19           HA1      GLY  19  10.308   1.313  11.315
  149    H    GLU  20           HN       GLU  20  11.158   3.171  11.728
  150    HA   GLU  20           HA       GLU  20   9.477   5.377  12.621
  151    HB2  GLU  20           HB2      GLU  20  12.481   5.050  12.558
  152    HB3  GLU  20           HB1      GLU  20  11.656   6.465  13.182
  153    HG2  GLU  20           HG2      GLU  20  11.345   3.689  14.292
  154    HG3  GLU  20           HG1      GLU  20  12.474   4.892  14.909
  155    H    THR  21           HN       THR  21  10.945   4.274  10.023
  156    HA   THR  21           HA       THR  21  10.271   6.488   8.364
  157    HB   THR  21           HB       THR  21  12.465   7.258   9.322
  158    HG1  THR  21           HG1      THR  21  11.707   7.547   6.993
  159   HG21  THR  21          HG21      THR  21  14.556   6.145   8.637
  160   HG22  THR  21          HG22      THR  21  13.618   4.861   7.876
  161   HG23  THR  21          HG23      THR  21  13.553   5.081   9.625
  162    H    ASP  22           HN       ASP  22  11.680   5.806   6.070
  163    HA   ASP  22           HA       ASP  22  10.986   2.978   5.721
  164    HB2  ASP  22           HB2      ASP  22  10.325   3.455   3.381
  165    HB3  ASP  22           HB1      ASP  22   9.338   4.348   4.529
  166    H    GLY  23           HN       GLY  23  13.080   5.600   4.467
  167    HA2  GLY  23           HA2      GLY  23  15.253   5.517   3.831
  168    HA3  GLY  23           HA1      GLY  23  15.336   3.872   4.459
  169    H    THR  24           HN       THR  24  12.994   4.897   2.073
  170    HA   THR  24           HA       THR  24  14.459   3.364   0.053
  171    HB   THR  24           HB       THR  24  12.279   2.541  -0.795
  172    HG1  THR  24           HG1      THR  24  11.268   4.267   1.216
  173   HG21  THR  24          HG21      THR  24  12.543   2.052   2.170
  174   HG22  THR  24          HG22      THR  24  13.428   1.192   0.906
  175   HG23  THR  24          HG23      THR  24  11.674   1.043   1.013
  176    H    ASP  25           HN       ASP  25  12.873   3.896  -2.090
  177    HA   ASP  25           HA       ASP  25  13.035   6.791  -2.425
  178    HB2  ASP  25           HB2      ASP  25  12.541   4.550  -4.427
  179    HB3  ASP  25           HB1      ASP  25  12.493   6.256  -4.834
  180    H    LEU  26           HN       LEU  26  11.260   7.566  -1.432
  181    HA   LEU  26           HA       LEU  26   8.700   6.460  -2.338
  182    HB2  LEU  26           HB2      LEU  26   9.605   5.607  -0.140
  183    HB3  LEU  26           HB1      LEU  26   9.355   7.226   0.473
  184    HG   LEU  26           HG       LEU  26   6.961   6.989  -0.131
  185   HD11  LEU  26          HD11      LEU  26   6.130   4.680  -0.461
  186   HD12  LEU  26          HD12      LEU  26   7.803   4.112  -0.523
  187   HD13  LEU  26          HD13      LEU  26   7.197   5.186  -1.774
  188   HD21  LEU  26          HD21      LEU  26   6.490   5.646   1.849
  189   HD22  LEU  26          HD22      LEU  26   7.874   6.751   2.067
  190   HD23  LEU  26          HD23      LEU  26   8.159   5.036   1.788
  191    H    SER  27           HN       SER  27  10.686   9.101  -2.040
  192    HA   SER  27           HA       SER  27   9.039  11.088  -1.023
  193    HB2  SER  27           HB2      SER  27  10.685  12.591  -2.296
  194    HB3  SER  27           HB1      SER  27  11.317  11.542  -1.027
  195    HG   SER  27           HG       SER  27  11.464  11.220  -3.839
  196    H    GLY  28           HN       GLY  28   7.235  11.788  -1.759
  197    HA2  GLY  28           HA2      GLY  28   5.667  12.749  -3.133
  198    HA3  GLY  28           HA1      GLY  28   6.955  13.011  -4.296
  199    H    ASP  29           HN       ASP  29   7.178  11.656  -5.982
  200    HA   ASP  29           HA       ASP  29   4.832  10.019  -6.533
  201    HB2  ASP  29           HB2      ASP  29   7.032  10.909  -8.412
  202    HB3  ASP  29           HB1      ASP  29   5.646   9.933  -8.876
  203    H    PHE  30           HN       PHE  30   5.011   8.156  -5.687
  204    HA   PHE  30           HA       PHE  30   7.423   6.552  -6.225
  205    HB2  PHE  30           HB2      PHE  30   6.913   5.320  -4.159
  206    HB3  PHE  30           HB1      PHE  30   7.110   7.035  -3.829
  207    HD1  PHE  30           HD2      PHE  30   4.998   8.439  -3.533
  208    HD2  PHE  30           HD1      PHE  30   4.956   4.189  -3.540
  209    HE1  PHE  30           HE2      PHE  30   2.806   8.465  -2.438
  210    HE2  PHE  30           HE1      PHE  30   2.763   4.211  -2.442
  211    HZ   PHE  30           HZ       PHE  30   1.684   6.346  -1.888
  212    H    LEU  31           HN       LEU  31   4.614   7.003  -7.525
  213    HA   LEU  31           HA       LEU  31   3.324   4.465  -7.193
  214    HB2  LEU  31           HB2      LEU  31   2.687   6.826  -8.932
  215    HB3  LEU  31           HB1      LEU  31   1.827   5.317  -9.105
  216    HG   LEU  31           HG       LEU  31   1.045   5.535  -6.752
  217   HD11  LEU  31          HD11      LEU  31   2.330   8.260  -6.851
  218   HD12  LEU  31          HD12      LEU  31   2.820   6.903  -5.833
  219   HD13  LEU  31          HD13      LEU  31   1.247   7.663  -5.590
  220   HD21  LEU  31          HD21      LEU  31  -0.557   7.326  -7.184
  221   HD22  LEU  31          HD22      LEU  31  -0.344   6.276  -8.584
  222   HD23  LEU  31          HD23      LEU  31   0.421   7.866  -8.549
  223    H    ASP  32           HN       ASP  32   5.574   5.776  -9.493
  224    HA   ASP  32           HA       ASP  32   5.001   3.606 -11.366
  225    HB2  ASP  32           HB2      ASP  32   5.229   5.957 -12.190
  226    HB3  ASP  32           HB1      ASP  32   6.901   5.953 -11.653
  227    H    LEU  33           HN       LEU  33   6.343   3.414  -8.745
  228    HA   LEU  33           HA       LEU  33   8.981   2.332  -9.448
  229    HB2  LEU  33           HB2      LEU  33   7.603   2.926  -6.881
  230    HB3  LEU  33           HB1      LEU  33   9.236   2.252  -6.966
  231    HG   LEU  33           HG       LEU  33   8.336   4.985  -7.900
  232   HD11  LEU  33          HD11      LEU  33   8.583   4.808  -5.500
  233   HD12  LEU  33          HD12      LEU  33   9.870   5.804  -6.187
  234   HD13  LEU  33          HD13      LEU  33  10.206   4.144  -5.698
  235   HD21  LEU  33          HD21      LEU  33  10.694   5.401  -8.447
  236   HD22  LEU  33          HD22      LEU  33  10.020   4.096  -9.424
  237   HD23  LEU  33          HD23      LEU  33  11.076   3.724  -8.060
  238    H    ARG  34           HN       ARG  34   9.423   0.287  -7.914
  239    HA   ARG  34           HA       ARG  34   6.996  -1.396  -7.896
  240    HB2  ARG  34           HB2      ARG  34   9.807  -2.315  -8.514
  241    HB3  ARG  34           HB1      ARG  34   8.422  -3.371  -8.303
  242    HG2  ARG  34           HG2      ARG  34   7.386  -2.225 -10.270
  243    HG3  ARG  34           HG1      ARG  34   8.940  -1.415 -10.514
  244    HD2  ARG  34           HD2      ARG  34  10.027  -3.646 -10.563
  245    HD3  ARG  34           HD1      ARG  34   8.428  -4.381 -10.490
  246    HE   ARG  34           HE       ARG  34   9.153  -2.555 -12.657
  247   HH11  ARG  34          HH11      ARG  34   7.745  -5.577 -11.594
  248   HH12  ARG  34          HH12      ARG  34   7.736  -6.318 -13.132
  249   HH21  ARG  34          HH21      ARG  34   9.116  -3.478 -14.786
  250   HH22  ARG  34          HH22      ARG  34   8.448  -5.035 -15.029
  251    H    PHE  35           HN       PHE  35   6.742  -2.734  -6.153
  252    HA   PHE  35           HA       PHE  35   7.890  -1.828  -3.744
  253    HB2  PHE  35           HB2      PHE  35   6.264  -4.281  -4.337
  254    HB3  PHE  35           HB1      PHE  35   6.858  -3.904  -2.725
  255    HD1  PHE  35           HD1      PHE  35   6.374  -1.333  -2.066
  256    HD2  PHE  35           HD2      PHE  35   4.112  -3.703  -4.775
  257    HE1  PHE  35           HE1      PHE  35   4.393   0.063  -1.627
  258    HE2  PHE  35           HE2      PHE  35   2.140  -2.309  -4.343
  259    HZ   PHE  35           HZ       PHE  35   2.283  -0.426  -2.762
  260    H    GLU  36           HN       GLU  36   8.500  -4.760  -5.602
  261    HA   GLU  36           HA       GLU  36  10.370  -5.917  -3.894
  262    HB2  GLU  36           HB2      GLU  36  10.280  -6.034  -6.904
  263    HB3  GLU  36           HB1      GLU  36  11.200  -7.119  -5.878
  264    HG2  GLU  36           HG2      GLU  36   9.089  -7.907  -4.874
  265    HG3  GLU  36           HG1      GLU  36   8.205  -6.863  -5.991
  266    H    ASP  37           HN       ASP  37  10.772  -3.491  -6.405
  267    HA   ASP  37           HA       ASP  37  13.600  -3.471  -6.295
  268    HB2  ASP  37           HB2      ASP  37  12.472  -2.645  -8.282
  269    HB3  ASP  37           HB1      ASP  37  11.725  -1.351  -7.351
  270    H    ILE  38           HN       ILE  38  11.132  -1.577  -4.623
  271    HA   ILE  38           HA       ILE  38  13.200  -0.045  -3.317
  272    HB   ILE  38           HB       ILE  38  11.413   1.085  -2.020
  273   HG12  ILE  38          HG12      ILE  38   9.526  -0.650  -3.640
  274   HG13  ILE  38          HG11      ILE  38   9.795  -0.763  -1.907
  275   HG21  ILE  38          HG21      ILE  38  10.406   2.288  -3.887
  276   HG22  ILE  38          HG22      ILE  38  10.972   1.022  -4.990
  277   HG23  ILE  38          HG23      ILE  38  12.139   2.021  -4.118
  278   HD11  ILE  38          HD11      ILE  38   8.847   1.483  -1.626
  279   HD12  ILE  38          HD12      ILE  38   7.711   0.377  -2.400
  280   HD13  ILE  38          HD13      ILE  38   8.571   1.575  -3.366
  281    H    GLY  39           HN       GLY  39  12.663  -3.022  -2.911
  282    HA2  GLY  39           HA2      GLY  39  13.505  -4.395  -1.240
  283    HA3  GLY  39           HA1      GLY  39  13.707  -2.979  -0.226
  284    H    TYR  40           HN       TYR  40  10.594  -3.527  -1.585
  285    HA   TYR  40           HA       TYR  40   9.660  -4.277   1.065
  286    HB2  TYR  40           HB2      TYR  40   8.422  -2.798  -1.187
  287    HB3  TYR  40           HB1      TYR  40   7.360  -3.785  -0.190
  288    HD1  TYR  40           HD1      TYR  40   9.953  -1.103   0.071
  289    HD2  TYR  40           HD2      TYR  40   6.528  -2.951   1.782
  290    HE1  TYR  40           HE1      TYR  40   9.834   0.681   1.765
  291    HE2  TYR  40           HE2      TYR  40   6.388  -1.209   3.458
  292    HH   TYR  40           HH       TYR  40   7.823   0.491   4.520
  293    H    ASP  41           HN       ASP  41   8.404  -5.969   1.435
  294    HA   ASP  41           HA       ASP  41   8.192  -7.946  -0.724
  295    HB2  ASP  41           HB2      ASP  41   8.315  -9.701   0.946
  296    HB3  ASP  41           HB1      ASP  41   9.713  -8.650   1.124
  297    H    SER  42           HN       SER  42   6.427  -9.575  -0.080
  298    HA   SER  42           HA       SER  42   3.986  -8.240  -0.367
  299    HB2  SER  42           HB2      SER  42   3.181 -10.639  -0.134
  300    HB3  SER  42           HB1      SER  42   4.274 -10.266  -1.477
  301    H    LEU  43           HN       LEU  43   5.521  -9.771   2.455
  302    HA   LEU  43           HA       LEU  43   3.035  -9.756   3.928
  303    HB2  LEU  43           HB2      LEU  43   4.757 -11.522   4.261
  304    HB3  LEU  43           HB1      LEU  43   5.825 -10.308   4.931
  305    HG   LEU  43           HG       LEU  43   4.262  -9.946   6.794
  306   HD11  LEU  43          HD11      LEU  43   2.179 -10.513   5.655
  307   HD12  LEU  43          HD12      LEU  43   2.378 -11.466   7.126
  308   HD13  LEU  43          HD13      LEU  43   2.685 -12.198   5.552
  309   HD21  LEU  43          HD21      LEU  43   4.621 -12.090   7.903
  310   HD22  LEU  43          HD22      LEU  43   6.052 -11.568   7.007
  311   HD23  LEU  43          HD23      LEU  43   5.003 -12.819   6.342
  312    H    ALA  44           HN       ALA  44   5.872  -7.815   3.586
  313    HA   ALA  44           HA       ALA  44   5.331  -5.985   5.673
  314    HB1  ALA  44           HB1      ALA  44   6.735  -4.406   4.408
  315    HB2  ALA  44           HB2      ALA  44   6.670  -5.477   3.007
  316    HB3  ALA  44           HB3      ALA  44   7.479  -6.002   4.485
  317    H    LEU  45           HN       LEU  45   4.281  -6.271   2.360
  318    HA   LEU  45           HA       LEU  45   2.794  -3.900   2.215
  319    HB2  LEU  45           HB2      LEU  45   2.462  -6.472   0.685
  320    HB3  LEU  45           HB1      LEU  45   1.644  -4.971   0.286
  321    HG   LEU  45           HG       LEU  45   4.619  -5.423   0.253
  322   HD11  LEU  45          HD11      LEU  45   4.397  -5.152  -2.151
  323   HD12  LEU  45          HD12      LEU  45   2.640  -5.071  -1.983
  324   HD13  LEU  45          HD13      LEU  45   3.503  -6.557  -1.565
  325   HD21  LEU  45          HD21      LEU  45   4.050  -3.151   0.898
  326   HD22  LEU  45          HD22      LEU  45   2.980  -3.023  -0.504
  327   HD23  LEU  45          HD23      LEU  45   4.716  -3.195  -0.737
  328    H    MET  46           HN       MET  46   1.980  -7.117   3.340
  329    HA   MET  46           HA       MET  46  -0.800  -6.840   3.632
  330    HB2  MET  46           HB2      MET  46   1.087  -8.352   5.445
  331    HB3  MET  46           HB1      MET  46  -0.652  -8.570   5.365
  332    HG2  MET  46           HG2      MET  46   1.321  -9.120   3.200
  333    HG3  MET  46           HG1      MET  46   0.552 -10.333   4.213
  334    HE1  MET  46           HE1      MET  46  -3.242  -9.842   3.122
  335    HE2  MET  46           HE2      MET  46  -2.405  -8.925   4.374
  336    HE3  MET  46           HE3      MET  46  -2.156 -10.666   4.243
  337    H    GLU  47           HN       GLU  47   1.849  -5.986   5.737
  338    HA   GLU  47           HA       GLU  47   0.224  -5.157   7.939
  339    HB2  GLU  47           HB2      GLU  47   2.709  -6.024   7.705
  340    HB3  GLU  47           HB1      GLU  47   3.076  -4.326   7.508
  341    HG2  GLU  47           HG2      GLU  47   1.687  -5.516   9.907
  342    HG3  GLU  47           HG1      GLU  47   3.406  -5.172   9.811
  343    H    THR  48           HN       THR  48   1.825  -3.656   5.220
  344    HA   THR  48           HA       THR  48   1.355  -0.927   5.710
  345    HB   THR  48           HB       THR  48   1.442  -2.494   3.113
  346    HG1  THR  48           HG1      THR  48   3.359  -2.387   4.610
  347   HG21  THR  48          HG21      THR  48   0.362  -0.322   2.754
  348   HG22  THR  48          HG22      THR  48   1.958  -0.352   2.005
  349   HG23  THR  48          HG23      THR  48   1.715   0.495   3.536
  350    H    ALA  49           HN       ALA  49  -0.489  -3.196   3.649
  351    HA   ALA  49           HA       ALA  49  -2.671  -1.595   3.095
  352    HB1  ALA  49           HB1      ALA  49  -2.125  -3.650   1.879
  353    HB2  ALA  49           HB2      ALA  49  -3.801  -3.641   2.439
  354    HB3  ALA  49           HB3      ALA  49  -2.594  -4.604   3.289
  355    H    ALA  50           HN       ALA  50  -2.124  -3.844   5.761
  356    HA   ALA  50           HA       ALA  50  -4.554  -4.055   6.984
  357    HB1  ALA  50           HB1      ALA  50  -2.494  -5.162   7.747
  358    HB2  ALA  50           HB2      ALA  50  -3.370  -4.380   9.070
  359    HB3  ALA  50           HB3      ALA  50  -1.940  -3.610   8.383
  360    H    ARG  51           HN       ARG  51  -2.327  -1.370   7.209
  361    HA   ARG  51           HA       ARG  51  -3.644   0.026   9.314
  362    HB2  ARG  51           HB2      ARG  51  -1.304   0.428   8.666
  363    HB3  ARG  51           HB1      ARG  51  -1.832   1.023   7.103
  364    HG2  ARG  51           HG2      ARG  51  -3.110   2.793   8.399
  365    HG3  ARG  51           HG1      ARG  51  -2.137   2.294   9.789
  366    HD2  ARG  51           HD2      ARG  51  -0.121   2.698   8.504
  367    HD3  ARG  51           HD1      ARG  51  -1.094   3.241   7.135
  368    HE   ARG  51           HE       ARG  51  -0.890   4.608   9.732
  369   HH11  ARG  51          HH11      ARG  51  -1.639   4.765   6.244
  370   HH12  ARG  51          HH12      ARG  51  -1.901   6.460   6.276
  371   HH21  ARG  51          HH21      ARG  51  -1.242   6.953   9.676
  372   HH22  ARG  51          HH22      ARG  51  -1.690   7.674   8.196
  373    H    LEU  52           HN       LEU  52  -3.957  -0.011   5.858
  374    HA   LEU  52           HA       LEU  52  -5.709   2.259   5.917
  375    HB2  LEU  52           HB2      LEU  52  -4.837   0.526   3.607
  376    HB3  LEU  52           HB1      LEU  52  -5.718   2.042   3.479
  377    HG   LEU  52           HG       LEU  52  -2.894   1.730   4.549
  378   HD11  LEU  52          HD11      LEU  52  -2.216   2.994   2.621
  379   HD12  LEU  52          HD12      LEU  52  -3.888   3.056   2.070
  380   HD13  LEU  52          HD13      LEU  52  -3.038   1.503   2.134
  381   HD21  LEU  52          HD21      LEU  52  -2.864   4.176   4.655
  382   HD22  LEU  52          HD22      LEU  52  -4.091   3.498   5.728
  383   HD23  LEU  52          HD23      LEU  52  -4.564   4.216   4.190
  384    H    GLU  53           HN       GLU  53  -5.900  -1.253   5.427
  385    HA   GLU  53           HA       GLU  53  -8.555  -1.526   4.884
  386    HB2  GLU  53           HB2      GLU  53  -6.890  -3.280   6.688
  387    HB3  GLU  53           HB1      GLU  53  -8.410  -3.734   5.947
  388    HG2  GLU  53           HG2      GLU  53  -7.307  -3.398   3.734
  389    HG3  GLU  53           HG1      GLU  53  -5.807  -3.175   4.609
  390    H    SER  54           HN       SER  54  -6.919  -1.492   8.024
  391    HA   SER  54           HA       SER  54  -9.094  -1.813   9.698
  392    HB2  SER  54           HB2      SER  54  -7.530  -0.804  11.451
  393    HB3  SER  54           HB1      SER  54  -6.818  -2.102  10.488
  394    HG   SER  54           HG       SER  54  -5.533  -0.847   9.630
  395    H    ARG  55           HN       ARG  55  -7.547   1.175   8.653
  396    HA   ARG  55           HA       ARG  55  -9.231   2.901  10.103
  397    HB2  ARG  55           HB2      ARG  55  -7.038   3.605   9.366
  398    HB3  ARG  55           HB1      ARG  55  -7.529   3.468   7.687
  399    HG2  ARG  55           HG2      ARG  55  -9.125   5.286   7.991
  400    HG3  ARG  55           HG1      ARG  55  -8.662   5.414   9.690
  401    HD2  ARG  55           HD2      ARG  55  -6.408   5.993   9.070
  402    HD3  ARG  55           HD1      ARG  55  -6.784   5.749   7.366
  403    HE   ARG  55           HE       ARG  55  -8.226   7.783   8.890
  404   HH11  ARG  55          HH11      ARG  55  -5.948   6.927   6.369
  405   HH12  ARG  55          HH12      ARG  55  -5.874   8.434   5.622
  406   HH21  ARG  55          HH21      ARG  55  -8.139   9.944   7.985
  407   HH22  ARG  55          HH22      ARG  55  -7.169  10.253   6.619
  408    H    TYR  56           HN       TYR  56  -9.355   1.947   6.643
  409    HA   TYR  56           HA       TYR  56 -11.649   3.637   6.314
  410    HB2  TYR  56           HB2      TYR  56 -10.082   1.944   4.384
  411    HB3  TYR  56           HB1      TYR  56 -11.593   2.727   3.932
  412    HD1  TYR  56           HD2      TYR  56 -11.734   5.128   3.709
  413    HD2  TYR  56           HD1      TYR  56  -8.051   3.293   4.787
  414    HE1  TYR  56           HE2      TYR  56 -10.562   7.223   3.216
  415    HE2  TYR  56           HE1      TYR  56  -6.853   5.376   4.294
  416    HH   TYR  56           HH       TYR  56  -7.154   7.547   3.005
  417    H    GLY  57           HN       GLY  57 -11.145   0.365   7.119
  418    HA2  GLY  57           HA2      GLY  57 -12.765  -1.091   7.869
  419    HA3  GLY  57           HA1      GLY  57 -14.003   0.001   7.260
  420    H    VAL  58           HN       VAL  58 -11.285  -1.522   5.607
  421    HA   VAL  58           HA       VAL  58 -13.233  -2.844   3.857
  422    HB   VAL  58           HB       VAL  58 -11.760  -2.577   1.907
  423   HG11  VAL  58          HG11      VAL  58 -13.407  -0.830   2.328
  424   HG12  VAL  58          HG12      VAL  58 -11.947  -0.181   1.565
  425   HG13  VAL  58          HG13      VAL  58 -12.205   0.042   3.292
  426   HG21  VAL  58          HG21      VAL  58  -9.982  -0.926   3.691
  427   HG22  VAL  58          HG22      VAL  58  -9.756  -1.196   1.959
  428   HG23  VAL  58          HG23      VAL  58  -9.600  -2.545   3.090
  429    H    SER  59           HN       SER  59 -11.933  -4.670   2.502
  430    HA   SER  59           HA       SER  59 -10.004  -5.926   4.252
  431    HB2  SER  59           HB2      SER  59 -12.364  -6.678   4.907
  432    HB3  SER  59           HB1      SER  59 -12.453  -7.442   3.317
  433    HG   SER  59           HG       SER  59 -10.349  -7.908   5.123
  434    H    ILE  60           HN       ILE  60  -8.389  -6.302   2.949
  435    HA   ILE  60           HA       ILE  60  -8.837  -6.634   0.083
  436    HB   ILE  60           HB       ILE  60  -6.297  -6.202   1.671
  437   HG12  ILE  60          HG12      ILE  60  -7.883  -4.267  -0.030
  438   HG13  ILE  60          HG11      ILE  60  -7.865  -4.298   1.732
  439   HG21  ILE  60          HG21      ILE  60  -5.843  -7.369  -0.418
  440   HG22  ILE  60          HG22      ILE  60  -5.252  -5.709  -0.500
  441   HG23  ILE  60          HG23      ILE  60  -6.753  -6.152  -1.315
  442   HD11  ILE  60          HD11      ILE  60  -5.475  -3.804   1.696
  443   HD12  ILE  60          HD12      ILE  60  -6.434  -2.558   0.907
  444   HD13  ILE  60          HD13      ILE  60  -5.524  -3.722  -0.067
  445    HA   PRO  61           HA       PRO  61  -8.069 -11.103   0.332
  446    HB2  PRO  61           HB2      PRO  61  -7.219 -10.521  -2.470
  447    HB3  PRO  61           HB1      PRO  61  -8.299 -11.787  -1.890
  448    HG2  PRO  61           HG2      PRO  61  -9.287  -9.663  -3.118
  449    HG3  PRO  61           HG1      PRO  61 -10.105 -10.310  -1.681
  450    HD2  PRO  61           HD2      PRO  61  -8.366  -7.899  -1.950
  451    HD3  PRO  61           HD1      PRO  61  -9.827  -8.135  -0.965
  452    H    ASP  62           HN       ASP  62  -6.217 -11.784   1.254
  453    HA   ASP  62           HA       ASP  62  -3.772 -10.556   1.434
  454    HB2  ASP  62           HB2      ASP  62  -4.162 -13.550   1.404
  455    HB3  ASP  62           HB1      ASP  62  -2.874 -12.660   2.198
  456    H    ASP  63           HN       ASP  63  -4.763 -13.043  -0.840
  457    HA   ASP  63           HA       ASP  63  -2.340 -13.525  -2.161
  458    HB2  ASP  63           HB2      ASP  63  -5.133 -13.676  -3.312
  459    HB3  ASP  63           HB1      ASP  63  -3.694 -14.321  -4.076
  460    H    VAL  64           HN       VAL  64  -4.621 -10.933  -2.529
  461    HA   VAL  64           HA       VAL  64  -3.455 -10.121  -5.053
  462    HB   VAL  64           HB       VAL  64  -5.679  -8.786  -3.471
  463   HG11  VAL  64          HG11      VAL  64  -4.768  -8.346  -6.316
  464   HG12  VAL  64          HG12      VAL  64  -4.556  -7.225  -4.972
  465   HG13  VAL  64          HG13      VAL  64  -6.176  -7.599  -5.562
  466   HG21  VAL  64          HG21      VAL  64  -5.819 -10.625  -5.862
  467   HG22  VAL  64          HG22      VAL  64  -7.189  -9.788  -5.128
  468   HG23  VAL  64          HG23      VAL  64  -6.315 -11.018  -4.216
  469    H    ALA  65           HN       ALA  65  -3.499  -9.165  -1.687
  470    HA   ALA  65           HA       ALA  65  -2.299  -6.628  -1.926
  471    HB1  ALA  65           HB1      ALA  65  -1.760  -6.847   0.427
  472    HB2  ALA  65           HB2      ALA  65  -2.068  -8.576   0.353
  473    HB3  ALA  65           HB3      ALA  65  -3.402  -7.432   0.132
  474    H    GLY  66           HN       GLY  66  -0.927  -9.851  -1.595
  475    HA2  GLY  66           HA2      GLY  66   1.748  -8.688  -1.803
  476    HA3  GLY  66           HA1      GLY  66   1.400 -10.382  -1.430
  477    H    ARG  67           HN       ARG  67  -0.257  -8.873  -4.019
  478    HA   ARG  67           HA       ARG  67   1.316 -10.465  -5.909
  479    HB2  ARG  67           HB2      ARG  67  -1.138 -10.816  -5.674
  480    HB3  ARG  67           HB1      ARG  67  -1.371  -9.163  -6.220
  481    HG2  ARG  67           HG2      ARG  67   0.061  -9.931  -8.217
  482    HG3  ARG  67           HG1      ARG  67  -0.457 -11.543  -7.705
  483    HD2  ARG  67           HD2      ARG  67  -2.042 -10.722  -9.325
  484    HD3  ARG  67           HD1      ARG  67  -2.814 -10.726  -7.734
  485    HE   ARG  67           HE       ARG  67  -1.528  -8.258  -8.356
  486   HH11  ARG  67          HH11      ARG  67  -4.611 -10.006  -8.658
  487   HH12  ARG  67          HH12      ARG  67  -5.491  -8.617  -9.085
  488   HH21  ARG  67          HH21      ARG  67  -2.704  -6.423  -8.931
  489   HH22  ARG  67          HH22      ARG  67  -4.401  -6.473  -9.175
  490    H    VAL  68           HN       VAL  68   0.350  -7.269  -4.980
  491    HA   VAL  68           HA       VAL  68   0.540  -5.962  -7.440
  492    HB   VAL  68           HB       VAL  68   0.622  -3.851  -6.119
  493   HG11  VAL  68          HG11      VAL  68  -1.429  -5.871  -5.222
  494   HG12  VAL  68          HG12      VAL  68  -1.512  -4.883  -6.680
  495   HG13  VAL  68          HG13      VAL  68  -1.591  -4.121  -5.091
  496   HG21  VAL  68          HG21      VAL  68   0.404  -3.975  -3.679
  497   HG22  VAL  68          HG22      VAL  68   1.943  -4.635  -4.227
  498   HG23  VAL  68          HG23      VAL  68   0.639  -5.722  -3.752
  499    H    ASP  69           HN       ASP  69   2.075  -5.221  -8.581
  500    HA   ASP  69           HA       ASP  69   4.831  -5.700  -7.835
  501    HB2  ASP  69           HB2      ASP  69   4.107  -6.424 -10.016
  502    HB3  ASP  69           HB1      ASP  69   3.469  -4.831 -10.383
  503    H    THR  70           HN       THR  70   2.831  -3.009  -8.900
  504    HA   THR  70           HA       THR  70   4.937  -1.160  -8.012
  505    HB   THR  70           HB       THR  70   3.771   0.525  -9.438
  506    HG1  THR  70           HG1      THR  70   2.179  -1.732 -10.144
  507   HG21  THR  70          HG21      THR  70   4.398  -0.448 -11.614
  508   HG22  THR  70          HG22      THR  70   4.507  -2.039 -10.846
  509   HG23  THR  70          HG23      THR  70   5.618  -0.758 -10.377
  510    HA   PRO  71           HA       PRO  71   2.411   0.398  -4.578
  511    HB2  PRO  71           HB2      PRO  71   3.432   3.015  -5.615
  512    HB3  PRO  71           HB1      PRO  71   3.381   2.415  -3.951
  513    HG2  PRO  71           HG2      PRO  71   5.663   2.386  -5.245
  514    HG3  PRO  71           HG1      PRO  71   5.183   0.967  -4.290
  515    HD2  PRO  71           HD2      PRO  71   5.103   1.372  -7.250
  516    HD3  PRO  71           HD1      PRO  71   5.562  -0.070  -6.323
  517    H    ARG  72           HN       ARG  72   2.400   1.886  -7.723
  518    HA   ARG  72           HA       ARG  72   0.044   3.314  -7.861
  519    HB2  ARG  72           HB2      ARG  72   1.516   3.043  -9.770
  520    HB3  ARG  72           HB1      ARG  72   1.144   1.334  -9.856
  521    HG2  ARG  72           HG2      ARG  72  -1.195   1.908 -10.416
  522    HG3  ARG  72           HG1      ARG  72  -0.736   3.613 -10.429
  523    HD2  ARG  72           HD2      ARG  72   0.415   1.451 -12.188
  524    HD3  ARG  72           HD1      ARG  72  -0.738   2.688 -12.686
  525    HE   ARG  72           HE       ARG  72   1.087   4.290 -11.954
  526   HH11  ARG  72          HH11      ARG  72   1.741   1.127 -13.397
  527   HH12  ARG  72          HH12      ARG  72   3.240   1.550 -14.061
  528   HH21  ARG  72          HH21      ARG  72   3.101   4.902 -12.825
  529   HH22  ARG  72          HH22      ARG  72   4.095   3.823 -13.694
  530    H    GLU  73           HN       GLU  73   0.421  -0.186  -8.235
  531    HA   GLU  73           HA       GLU  73  -2.314  -0.737  -8.673
  532    HB2  GLU  73           HB2      GLU  73  -0.049  -2.544  -7.892
  533    HB3  GLU  73           HB1      GLU  73  -1.633  -3.076  -8.436
  534    HG2  GLU  73           HG2      GLU  73  -1.297  -2.108 -10.581
  535    HG3  GLU  73           HG1      GLU  73   0.208  -1.351 -10.050
  536    H    LEU  74           HN       LEU  74  -0.296  -0.736  -5.790
  537    HA   LEU  74           HA       LEU  74  -2.235  -2.058  -4.156
  538    HB2  LEU  74           HB2      LEU  74   0.303  -1.736  -3.699
  539    HB3  LEU  74           HB1      LEU  74  -0.122  -0.142  -3.134
  540    HG   LEU  74           HG       LEU  74   0.259  -1.749  -1.290
  541   HD11  LEU  74          HD11      LEU  74  -2.596  -0.837  -1.421
  542   HD12  LEU  74          HD12      LEU  74  -1.222   0.099  -0.835
  543   HD13  LEU  74          HD13      LEU  74  -1.737  -1.347   0.033
  544   HD21  LEU  74          HD21      LEU  74  -2.140  -3.197  -2.380
  545   HD22  LEU  74          HD22      LEU  74  -1.339  -3.544  -0.847
  546   HD23  LEU  74          HD23      LEU  74  -0.477  -3.785  -2.367
  547    H    LEU  75           HN       LEU  75  -1.455   1.315  -4.846
  548    HA   LEU  75           HA       LEU  75  -3.351   2.578  -3.197
  549    HB2  LEU  75           HB2      LEU  75  -1.579   3.789  -4.405
  550    HB3  LEU  75           HB1      LEU  75  -2.342   3.394  -5.931
  551    HG   LEU  75           HG       LEU  75  -4.323   4.747  -5.238
  552   HD11  LEU  75          HD11      LEU  75  -4.079   4.584  -2.874
  553   HD12  LEU  75          HD12      LEU  75  -4.099   6.273  -3.372
  554   HD13  LEU  75          HD13      LEU  75  -2.573   5.502  -2.919
  555   HD21  LEU  75          HD21      LEU  75  -1.681   6.198  -5.239
  556   HD22  LEU  75          HD22      LEU  75  -3.257   6.915  -5.573
  557   HD23  LEU  75          HD23      LEU  75  -2.589   5.701  -6.667
  558    H    ASP  76           HN       ASP  76  -3.478   1.606  -6.555
  559    HA   ASP  76           HA       ASP  76  -6.097   2.212  -7.212
  560    HB2  ASP  76           HB2      ASP  76  -4.438   1.619  -8.862
  561    HB3  ASP  76           HB1      ASP  76  -4.286   0.008  -8.180
  562    H    LEU  77           HN       LEU  77  -4.749  -0.700  -5.810
  563    HA   LEU  77           HA       LEU  77  -6.953  -2.380  -5.831
  564    HB2  LEU  77           HB2      LEU  77  -4.729  -3.139  -5.344
  565    HB3  LEU  77           HB1      LEU  77  -4.655  -2.154  -3.905
  566    HG   LEU  77           HG       LEU  77  -6.345  -3.587  -2.845
  567   HD11  LEU  77          HD11      LEU  77  -6.124  -5.224  -5.369
  568   HD12  LEU  77          HD12      LEU  77  -7.537  -4.305  -4.847
  569   HD13  LEU  77          HD13      LEU  77  -6.989  -5.690  -3.903
  570   HD21  LEU  77          HD21      LEU  77  -3.975  -5.054  -3.993
  571   HD22  LEU  77          HD22      LEU  77  -4.900  -5.539  -2.569
  572   HD23  LEU  77          HD23      LEU  77  -3.971  -4.041  -2.551
  573    H    ILE  78           HN       ILE  78  -5.878  -0.219  -3.214
  574    HA   ILE  78           HA       ILE  78  -8.151  -0.877  -1.624
  575    HB   ILE  78           HB       ILE  78  -6.337   1.531  -1.245
  576   HG12  ILE  78          HG12      ILE  78  -6.119  -1.313  -0.238
  577   HG13  ILE  78          HG11      ILE  78  -5.022  -0.497  -1.337
  578   HG21  ILE  78          HG21      ILE  78  -8.119   0.015   0.698
  579   HG22  ILE  78          HG22      ILE  78  -8.462   1.610   0.026
  580   HG23  ILE  78          HG23      ILE  78  -7.089   1.392   1.103
  581   HD11  ILE  78          HD11      ILE  78  -5.478   0.160   1.550
  582   HD12  ILE  78          HD12      ILE  78  -4.404   1.042   0.458
  583   HD13  ILE  78          HD13      ILE  78  -4.063  -0.645   0.863
  584    H    ASN  79           HN       ASN  79  -7.378   1.690  -3.856
  585    HA   ASN  79           HA       ASN  79  -9.673   3.270  -3.415
  586    HB2  ASN  79           HB2      ASN  79  -7.777   2.980  -5.713
  587    HB3  ASN  79           HB1      ASN  79  -9.293   3.831  -5.982
  588   HD21  ASN  79          HD21      ASN  79  -6.279   3.871  -4.237
  589   HD22  ASN  79          HD22      ASN  79  -6.359   5.549  -3.798
  590    H    GLY  80           HN       GLY  80  -9.107   0.456  -5.357
  591    HA2  GLY  80           HA2      GLY  80 -11.602   0.374  -6.697
  592    HA3  GLY  80           HA1      GLY  80 -10.539  -1.000  -6.427
  593    H    ALA  81           HN       ALA  81 -10.489  -1.097  -3.699
  594    HA   ALA  81           HA       ALA  81 -12.924  -2.392  -3.046
  595    HB1  ALA  81           HB1      ALA  81 -11.985  -2.615  -0.788
  596    HB2  ALA  81           HB2      ALA  81 -10.731  -1.444  -1.194
  597    HB3  ALA  81           HB3      ALA  81 -10.776  -3.006  -2.014
  598    H    LEU  82           HN       LEU  82 -11.645   0.779  -2.359
  599    HA   LEU  82           HA       LEU  82 -13.824   1.551  -0.696
  600    HB2  LEU  82           HB2      LEU  82 -11.598   3.096  -1.982
  601    HB3  LEU  82           HB1      LEU  82 -12.839   3.866  -1.012
  602    HG   LEU  82           HG       LEU  82 -11.075   1.651   0.025
  603   HD11  LEU  82          HD11      LEU  82  -9.843   3.400   1.190
  604   HD12  LEU  82          HD12      LEU  82 -10.807   4.631   0.368
  605   HD13  LEU  82          HD13      LEU  82  -9.717   3.599  -0.556
  606   HD21  LEU  82          HD21      LEU  82 -13.217   1.939   1.152
  607   HD22  LEU  82          HD22      LEU  82 -12.855   3.650   1.404
  608   HD23  LEU  82          HD23      LEU  82 -11.867   2.411   2.179
  609    H    ALA  83           HN       ALA  83 -13.344   1.493  -4.078
  610    HA   ALA  83           HA       ALA  83 -15.261   3.469  -4.761
  611    HB1  ALA  83           HB1      ALA  83 -13.558   2.707  -6.359
  612    HB2  ALA  83           HB2      ALA  83 -15.184   2.501  -7.013
  613    HB3  ALA  83           HB3      ALA  83 -14.302   1.109  -6.388
  614    H    GLU  84           HN       GLU  84 -15.400   0.046  -4.067
  615    HA   GLU  84           HA       GLU  84 -18.235  -0.056  -4.695
  616    HB2  GLU  84           HB2      GLU  84 -18.043  -2.465  -4.052
  617    HB3  GLU  84           HB1      GLU  84 -16.995  -1.987  -5.380
  618    HG2  GLU  84           HG2      GLU  84 -15.089  -1.943  -3.916
  619    HG3  GLU  84           HG1      GLU  84 -16.116  -2.246  -2.518
  620    H    ALA  85           HN       ALA  85 -16.586   1.137  -2.250
  621    HA   ALA  85           HA       ALA  85 -18.178   0.078  -0.054
  622    HB1  ALA  85           HB1      ALA  85 -16.007   2.184  -0.079
  623    HB2  ALA  85           HB2      ALA  85 -15.783   0.477   0.310
  624    HB3  ALA  85           HB3      ALA  85 -16.764   1.501   1.362
  625    H    ALA  86           HN       ALA  86 -19.033   1.870  -2.382
  626    HA   ALA  86           HA       ALA  86 -20.393   3.905  -0.778
  627    HB1  ALA  86           HB1      ALA  86 -20.566   5.236  -2.849
  628    HB2  ALA  86           HB2      ALA  86 -19.670   3.990  -3.720
  629    HB3  ALA  86           HB3      ALA  86 -18.881   4.909  -2.435
  630    H28  SXD  87          H28B      SXD  87   2.929 -11.896   1.506
  631   H28A  SXD  87          H28A      SXD  87   3.455 -13.510   1.987
  632    H30  SXD  87          H30A      SXD  87   0.948 -12.100   2.838
  633   H30A  SXD  87          H30C      SXD  87  -0.136 -13.480   2.666
  634   H30B  SXD  87          H30B      SXD  87   1.474 -13.704   3.352
  635    H31  SXD  87          H31A      SXD  87  -0.380 -12.956   0.195
  636   H31A  SXD  87          H31C      SXD  87   0.676 -11.567   0.460
  637   H31B  SXD  87          H31B      SXD  87   1.079 -12.756  -0.777
  638    H32  SXD  87          H32A      SXD  87   1.996 -15.521   1.580
  639   HO33  SXD  87          H33A      SXD  87   2.675 -14.452  -0.468
  640   HN36  SXD  87          H36A      SXD  87  -0.067 -15.552   2.798
  641    H37  SXD  87          H37B      SXD  87  -1.841 -17.315   2.537
  642   H37A  SXD  87          H37A      SXD  87  -2.494 -16.255   1.294
  643    H38  SXD  87          H38A      SXD  87  -2.843 -14.507   2.946
  644   H38A  SXD  87          H38B      SXD  87  -3.628 -15.993   3.490
  645   HN41  SXD  87          H41A      SXD  87  -3.212 -14.013   5.220
  646    H42  SXD  87          H42B      SXD  87  -0.751 -14.398   6.696
  647   H42A  SXD  87          H42A      SXD  87  -2.215 -14.947   7.496
  648    H43  SXD  87          H43B      SXD  87  -1.724 -12.158   6.483
  649   H43A  SXD  87          H43A      SXD  87  -3.132 -12.699   7.394
  650    H1   SXD  87           H1A      SXD  87  -2.772 -10.722   9.217
  651    H1A  SXD  87           H1B      SXD  87  -1.418 -10.173   8.206
  652    H2   SXD  87           H2A      SXD  87  -1.363 -10.828  11.149
  653    H2A  SXD  87           H2B      SXD  87  -1.502  -9.188  10.508
  654    H4   SXD  87           H4B      SXD  87   1.008 -12.034  10.902
  655    H4A  SXD  87           H4A      SXD  87   2.286 -10.823  10.918
  656    H6   SXD  87           H6C      SXD  87   1.951  -9.362  13.915
  657    H6A  SXD  87           H6A      SXD  87   3.069 -10.122  12.775
  658    H6B  SXD  87           H6B      SXD  87   2.510 -11.019  14.192
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -18.360  10.532  -0.899
    2    H2   MET   1           HT2      MET   1 -19.621   9.419  -0.935
    3    H3   MET   1           HT3      MET   1 -19.937  11.035  -1.303
    4    HA   MET   1           HA       MET   1 -19.875   9.584  -3.236
    5    HB2  MET   1           HB2      MET   1 -17.585  11.559  -3.080
    6    HB3  MET   1           HB1      MET   1 -18.059  10.757  -4.563
    7    HG2  MET   1           HG2      MET   1 -20.278  11.798  -4.380
    8    HG3  MET   1           HG1      MET   1 -19.732  12.648  -2.934
    9    HE1  MET   1           HE1      MET   1 -19.905  15.457  -5.695
   10    HE2  MET   1           HE2      MET   1 -20.482  14.943  -4.108
   11    HE3  MET   1           HE3      MET   1 -20.965  14.052  -5.553
   12    H    ALA   2           HN       ALA   2 -16.407   9.984  -2.408
   13    HA   ALA   2           HA       ALA   2 -16.129   7.132  -2.246
   14    HB1  ALA   2           HB1      ALA   2 -15.975   7.524  -4.664
   15    HB2  ALA   2           HB2      ALA   2 -14.423   7.016  -4.000
   16    HB3  ALA   2           HB3      ALA   2 -14.702   8.713  -4.392
   17    H    THR   3           HN       THR   3 -15.167   7.139  -0.331
   18    HA   THR   3           HA       THR   3 -13.135   9.079   0.357
   19    HB   THR   3           HB       THR   3 -14.114   6.602   1.738
   20    HG1  THR   3           HG1      THR   3 -14.918   9.312   1.758
   21   HG21  THR   3          HG21      THR   3 -13.238   7.672   3.799
   22   HG22  THR   3          HG22      THR   3 -12.627   9.010   2.828
   23   HG23  THR   3          HG23      THR   3 -11.957   7.393   2.621
   24    H    LEU   4           HN       LEU   4 -11.229   8.753  -0.661
   25    HA   LEU   4           HA       LEU   4 -10.370   5.979  -1.121
   26    HB2  LEU   4           HB2      LEU   4  -9.808   8.413  -2.811
   27    HB3  LEU   4           HB1      LEU   4  -9.249   6.785  -3.126
   28    HG   LEU   4           HG       LEU   4 -12.128   7.698  -3.189
   29   HD11  LEU   4          HD11      LEU   4 -10.836   8.599  -5.028
   30   HD12  LEU   4          HD12      LEU   4 -11.944   7.352  -5.601
   31   HD13  LEU   4          HD13      LEU   4 -10.228   6.991  -5.418
   32   HD21  LEU   4          HD21      LEU   4 -12.585   5.486  -4.145
   33   HD22  LEU   4          HD22      LEU   4 -11.928   5.361  -2.513
   34   HD23  LEU   4          HD23      LEU   4 -10.896   5.033  -3.906
   35    H    LEU   5           HN       LEU   5  -7.993   5.890  -1.520
   36    HA   LEU   5           HA       LEU   5  -6.542   7.222   0.601
   37    HB2  LEU   5           HB2      LEU   5  -5.684   5.217  -1.479
   38    HB3  LEU   5           HB1      LEU   5  -4.705   5.778  -0.139
   39    HG   LEU   5           HG       LEU   5  -7.196   4.108   0.024
   40   HD11  LEU   5          HD11      LEU   5  -5.630   2.370   0.674
   41   HD12  LEU   5          HD12      LEU   5  -4.278   3.468   0.376
   42   HD13  LEU   5          HD13      LEU   5  -5.316   2.948  -0.959
   43   HD21  LEU   5          HD21      LEU   5  -5.233   4.947   2.140
   44   HD22  LEU   5          HD22      LEU   5  -6.582   3.832   2.358
   45   HD23  LEU   5          HD23      LEU   5  -6.889   5.529   1.980
   46    H    THR   6           HN       THR   6  -5.273   8.897   0.172
   47    HA   THR   6           HA       THR   6  -4.960   9.660  -2.599
   48    HB   THR   6           HB       THR   6  -4.070  11.804  -1.653
   49    HG1  THR   6           HG1      THR   6  -4.746  10.540   0.845
   50   HG21  THR   6          HG21      THR   6  -6.244  12.631  -0.871
   51   HG22  THR   6          HG22      THR   6  -6.806  10.969  -0.688
   52   HG23  THR   6          HG23      THR   6  -6.414  11.595  -2.289
   53    H    THR   7           HN       THR   7  -2.557  11.007  -2.572
   54    HA   THR   7           HA       THR   7  -0.684   8.964  -2.804
   55    HB   THR   7           HB       THR   7  -0.021  11.872  -2.343
   56    HG1  THR   7           HG1      THR   7  -0.476  11.586  -4.892
   57   HG21  THR   7          HG21      THR   7   0.991   9.774  -4.268
   58   HG22  THR   7          HG22      THR   7   1.799  10.267  -2.780
   59   HG23  THR   7          HG23      THR   7   1.621  11.414  -4.110
   60    H    ASP   8           HN       ASP   8  -1.556  11.222  -0.287
   61    HA   ASP   8           HA       ASP   8   0.589  10.916   1.492
   62    HB2  ASP   8           HB2      ASP   8  -2.281  11.728   1.965
   63    HB3  ASP   8           HB1      ASP   8  -1.014  11.829   3.181
   64    H    ASP   9           HN       ASP   9  -2.571   9.349   1.370
   65    HA   ASP   9           HA       ASP   9  -2.331   7.776   3.704
   66    HB2  ASP   9           HB2      ASP   9  -3.920   7.142   1.213
   67    HB3  ASP   9           HB1      ASP   9  -4.126   6.388   2.784
   68    H    LEU  10           HN       LEU  10  -1.613   7.101   0.338
   69    HA   LEU  10           HA       LEU  10  -0.860   4.407   0.678
   70    HB2  LEU  10           HB2      LEU  10  -1.444   5.382  -1.484
   71    HB3  LEU  10           HB1      LEU  10  -0.033   6.417  -1.409
   72    HG   LEU  10           HG       LEU  10   1.398   4.388  -1.474
   73   HD11  LEU  10          HD11      LEU  10  -1.199   2.966  -2.013
   74   HD12  LEU  10          HD12      LEU  10  -0.176   2.773  -0.589
   75   HD13  LEU  10          HD13      LEU  10   0.413   2.269  -2.173
   76   HD21  LEU  10          HD21      LEU  10   1.029   3.941  -3.851
   77   HD22  LEU  10          HD22      LEU  10   0.956   5.661  -3.475
   78   HD23  LEU  10          HD23      LEU  10  -0.530   4.758  -3.754
   79    H    ARG  11           HN       ARG  11   1.000   7.403   0.467
   80    HA   ARG  11           HA       ARG  11   3.568   6.382   0.666
   81    HB2  ARG  11           HB2      ARG  11   2.965   8.685   0.032
   82    HB3  ARG  11           HB1      ARG  11   2.530   9.012   1.699
   83    HG2  ARG  11           HG2      ARG  11   4.885   8.564   2.340
   84    HG3  ARG  11           HG1      ARG  11   5.274   8.401   0.622
   85    HD2  ARG  11           HD2      ARG  11   5.754  10.660   1.400
   86    HD3  ARG  11           HD1      ARG  11   4.434  10.670   0.226
   87    HE   ARG  11           HE       ARG  11   3.975  10.689   3.115
   88   HH11  ARG  11          HH11      ARG  11   3.344  12.095  -0.092
   89   HH12  ARG  11          HH12      ARG  11   2.157  13.189   0.432
   90   HH21  ARG  11          HH21      ARG  11   2.285  12.161   3.849
   91   HH22  ARG  11          HH22      ARG  11   1.490  13.189   2.733
   92    H    ARG  12           HN       ARG  12   1.455   7.641   3.277
   93    HA   ARG  12           HA       ARG  12   3.280   7.265   5.361
   94    HB2  ARG  12           HB2      ARG  12   1.378   7.286   6.938
   95    HB3  ARG  12           HB1      ARG  12   1.271   8.616   5.782
   96    HG2  ARG  12           HG2      ARG  12  -0.432   7.397   4.572
   97    HG3  ARG  12           HG1      ARG  12  -0.228   6.012   5.639
   98    HD2  ARG  12           HD2      ARG  12  -2.171   7.196   6.313
   99    HD3  ARG  12           HD1      ARG  12  -0.925   7.448   7.529
  100    HE   ARG  12           HE       ARG  12  -0.749   9.584   5.791
  101   HH11  ARG  12          HH11      ARG  12  -3.131   8.253   8.073
  102   HH12  ARG  12          HH12      ARG  12  -3.923   9.752   8.275
  103   HH21  ARG  12          HH21      ARG  12  -1.829  11.538   6.056
  104   HH22  ARG  12          HH22      ARG  12  -3.239  11.669   7.024
  105    H    ALA  13           HN       ALA  13   0.896   5.015   4.061
  106    HA   ALA  13           HA       ALA  13   1.269   3.079   6.078
  107    HB1  ALA  13           HB1      ALA  13  -0.736   3.185   4.690
  108    HB2  ALA  13           HB2      ALA  13   0.028   1.596   4.615
  109    HB3  ALA  13           HB3      ALA  13   0.222   2.733   3.280
  110    H    LEU  14           HN       LEU  14   2.802   3.636   2.966
  111    HA   LEU  14           HA       LEU  14   4.304   1.220   2.986
  112    HB2  LEU  14           HB2      LEU  14   4.759   3.811   1.507
  113    HB3  LEU  14           HB1      LEU  14   5.662   2.336   1.224
  114    HG   LEU  14           HG       LEU  14   2.696   2.682   0.761
  115   HD11  LEU  14          HD11      LEU  14   4.022   3.943  -0.834
  116   HD12  LEU  14          HD12      LEU  14   3.276   2.545  -1.607
  117   HD13  LEU  14          HD13      LEU  14   4.988   2.511  -1.185
  118   HD21  LEU  14          HD21      LEU  14   4.538   0.375   0.134
  119   HD22  LEU  14          HD22      LEU  14   2.845   0.495  -0.342
  120   HD23  LEU  14          HD23      LEU  14   3.275   0.389   1.365
  121    H    VAL  15           HN       VAL  15   4.853   4.471   4.141
  122    HA   VAL  15           HA       VAL  15   7.555   4.181   4.940
  123    HB   VAL  15           HB       VAL  15   5.368   5.986   6.071
  124   HG11  VAL  15          HG11      VAL  15   7.181   7.335   7.019
  125   HG12  VAL  15          HG12      VAL  15   8.351   6.132   6.475
  126   HG13  VAL  15          HG13      VAL  15   7.146   5.706   7.698
  127   HG21  VAL  15          HG21      VAL  15   5.867   6.439   3.731
  128   HG22  VAL  15          HG22      VAL  15   7.583   6.569   4.111
  129   HG23  VAL  15          HG23      VAL  15   6.444   7.749   4.761
  130    H    GLU  16           HN       GLU  16   4.523   3.972   6.774
  131    HA   GLU  16           HA       GLU  16   5.665   3.274   9.217
  132    HB2  GLU  16           HB2      GLU  16   2.851   2.773   8.226
  133    HB3  GLU  16           HB1      GLU  16   3.363   2.636   9.904
  134    HG2  GLU  16           HG2      GLU  16   3.923   5.006   9.954
  135    HG3  GLU  16           HG1      GLU  16   3.505   5.156   8.253
  136    H    SER  17           HN       SER  17   4.850   1.170   6.506
  137    HA   SER  17           HA       SER  17   5.054  -1.174   8.138
  138    HB2  SER  17           HB2      SER  17   4.851  -2.362   5.957
  139    HB3  SER  17           HB1      SER  17   3.539  -1.231   6.291
  140    HG   SER  17           HG       SER  17   4.034  -0.588   4.375
  141    H    ALA  18           HN       ALA  18   7.047   0.324   5.623
  142    HA   ALA  18           HA       ALA  18   9.077  -1.688   5.772
  143    HB1  ALA  18           HB1      ALA  18   8.655  -0.421   3.714
  144    HB2  ALA  18           HB2      ALA  18  10.336  -0.308   4.233
  145    HB3  ALA  18           HB3      ALA  18   9.235   1.040   4.512
  146    H    GLY  19           HN       GLY  19   8.809   1.596   7.008
  147    HA2  GLY  19           HA2      GLY  19  10.055   1.530   9.300
  148    HA3  GLY  19           HA1      GLY  19  11.440   1.423   8.207
  149    H    GLU  20           HN       GLU  20  10.021   3.522  10.020
  150    HA   GLU  20           HA       GLU  20   9.169   5.657   8.546
  151    HB2  GLU  20           HB2      GLU  20  10.702   5.771  11.141
  152    HB3  GLU  20           HB1      GLU  20   9.782   7.092  10.449
  153    HG2  GLU  20           HG2      GLU  20   8.332   6.271  12.021
  154    HG3  GLU  20           HG1      GLU  20   7.791   5.434  10.572
  155    H    THR  21           HN       THR  21  10.155   6.282   6.813
  156    HA   THR  21           HA       THR  21  11.598   7.225   5.394
  157    HB   THR  21           HB       THR  21  12.838   8.471   7.879
  158    HG1  THR  21           HG1      THR  21  10.751   9.126   7.981
  159   HG21  THR  21          HG21      THR  21  13.423  10.312   6.341
  160   HG22  THR  21          HG22      THR  21  12.712   9.417   4.995
  161   HG23  THR  21          HG23      THR  21  14.150   8.796   5.804
  162    H    ASP  22           HN       ASP  22  12.343   4.989   5.050
  163    HA   ASP  22           HA       ASP  22  14.762   4.066   6.242
  164    HB2  ASP  22           HB2      ASP  22  14.603   2.201   4.802
  165    HB3  ASP  22           HB1      ASP  22  12.924   2.667   5.019
  166    H    GLY  23           HN       GLY  23  13.904   5.822   3.371
  167    HA2  GLY  23           HA2      GLY  23  15.543   7.603   2.823
  168    HA3  GLY  23           HA1      GLY  23  16.757   6.327   2.863
  169    H    THR  24           HN       THR  24  13.834   5.170   1.474
  170    HA   THR  24           HA       THR  24  15.087   5.342  -1.095
  171    HB   THR  24           HB       THR  24  13.919   3.228  -0.410
  172    HG1  THR  24           HG1      THR  24  13.711   2.901  -2.455
  173   HG21  THR  24          HG21      THR  24  11.985   4.198   0.751
  174   HG22  THR  24          HG22      THR  24  11.458   3.105  -0.529
  175   HG23  THR  24          HG23      THR  24  11.390   4.852  -0.774
  176    H    ASP  25           HN       ASP  25  13.071   5.582  -2.868
  177    HA   ASP  25           HA       ASP  25  12.641   8.488  -2.902
  178    HB2  ASP  25           HB2      ASP  25  12.200   6.358  -5.027
  179    HB3  ASP  25           HB1      ASP  25  11.898   8.069  -5.271
  180    H    LEU  26           HN       LEU  26  11.149   7.446  -1.035
  181    HA   LEU  26           HA       LEU  26   8.546   6.591  -2.017
  182    HB2  LEU  26           HB2      LEU  26   9.739   5.433  -0.201
  183    HB3  LEU  26           HB1      LEU  26   9.601   6.870   0.783
  184    HG   LEU  26           HG       LEU  26   7.164   6.596   0.845
  185   HD11  LEU  26          HD11      LEU  26   7.702   4.089  -0.752
  186   HD12  LEU  26          HD12      LEU  26   6.876   5.530  -1.345
  187   HD13  LEU  26          HD13      LEU  26   6.149   4.563  -0.060
  188   HD21  LEU  26          HD21      LEU  26   8.710   4.109   1.547
  189   HD22  LEU  26          HD22      LEU  26   7.153   4.590   2.232
  190   HD23  LEU  26          HD23      LEU  26   8.596   5.562   2.531
  191    H    SER  27           HN       SER  27  10.021   9.495  -0.943
  192    HA   SER  27           HA       SER  27   7.474  10.605  -0.127
  193    HB2  SER  27           HB2      SER  27  10.189  11.758  -0.075
  194    HB3  SER  27           HB1      SER  27   8.762  12.532   0.631
  195    HG   SER  27           HG       SER  27  10.248  10.324   1.472
  196    H    GLY  28           HN       GLY  28   6.569  10.530  -2.217
  197    HA2  GLY  28           HA2      GLY  28   5.710  11.973  -3.859
  198    HA3  GLY  28           HA1      GLY  28   7.174  12.945  -3.738
  199    H    ASP  29           HN       ASP  29   5.634  11.382  -5.884
  200    HA   ASP  29           HA       ASP  29   5.998  10.218  -7.756
  201    HB2  ASP  29           HB2      ASP  29   8.799  11.342  -7.483
  202    HB3  ASP  29           HB1      ASP  29   8.300  10.362  -8.852
  203    H    PHE  30           HN       PHE  30   5.520   8.487  -6.434
  204    HA   PHE  30           HA       PHE  30   7.683   6.518  -6.440
  205    HB2  PHE  30           HB2      PHE  30   7.088   5.704  -4.217
  206    HB3  PHE  30           HB1      PHE  30   7.583   7.388  -4.162
  207    HD1  PHE  30           HD2      PHE  30   5.837   9.157  -3.899
  208    HD2  PHE  30           HD1      PHE  30   4.962   5.021  -3.467
  209    HE1  PHE  30           HE2      PHE  30   3.766   9.724  -2.714
  210    HE2  PHE  30           HE1      PHE  30   2.887   5.582  -2.288
  211    HZ   PHE  30           HZ       PHE  30   2.302   7.907  -1.868
  212    H    LEU  31           HN       LEU  31   4.576   7.277  -7.368
  213    HA   LEU  31           HA       LEU  31   3.131   4.947  -6.882
  214    HB2  LEU  31           HB2      LEU  31   2.945   6.826  -9.232
  215    HB3  LEU  31           HB1      LEU  31   1.804   5.536  -8.924
  216    HG   LEU  31           HG       LEU  31   2.291   7.926  -7.148
  217   HD11  LEU  31          HD11      LEU  31  -0.035   7.202  -8.921
  218   HD12  LEU  31          HD12      LEU  31   1.131   8.495  -9.205
  219   HD13  LEU  31          HD13      LEU  31   0.035   8.582  -7.825
  220   HD21  LEU  31          HD21      LEU  31   1.686   5.945  -5.858
  221   HD22  LEU  31          HD22      LEU  31   0.296   5.677  -6.909
  222   HD23  LEU  31          HD23      LEU  31   0.362   7.110  -5.881
  223    H    ASP  32           HN       ASP  32   5.457   5.608  -9.405
  224    HA   ASP  32           HA       ASP  32   4.803   3.076 -10.696
  225    HB2  ASP  32           HB2      ASP  32   6.573   5.344 -11.584
  226    HB3  ASP  32           HB1      ASP  32   6.318   3.861 -12.498
  227    H    LEU  33           HN       LEU  33   6.484   3.561  -8.145
  228    HA   LEU  33           HA       LEU  33   9.026   2.413  -8.846
  229    HB2  LEU  33           HB2      LEU  33   7.583   2.671  -6.268
  230    HB3  LEU  33           HB1      LEU  33   9.237   2.087  -6.399
  231    HG   LEU  33           HG       LEU  33   8.197   4.858  -6.925
  232   HD11  LEU  33          HD11      LEU  33   9.871   5.457  -5.247
  233   HD12  LEU  33          HD12      LEU  33  10.283   3.739  -5.120
  234   HD13  LEU  33          HD13      LEU  33   8.677   4.297  -4.632
  235   HD21  LEU  33          HD21      LEU  33  10.471   5.483  -7.615
  236   HD22  LEU  33          HD22      LEU  33   9.766   4.304  -8.722
  237   HD23  LEU  33          HD23      LEU  33  10.958   3.791  -7.529
  238    H    ARG  34           HN       ARG  34   9.618   0.261  -7.810
  239    HA   ARG  34           HA       ARG  34   7.280  -1.472  -7.731
  240    HB2  ARG  34           HB2      ARG  34   9.800  -2.026  -9.284
  241    HB3  ARG  34           HB1      ARG  34   8.666  -3.292  -8.830
  242    HG2  ARG  34           HG2      ARG  34   6.884  -2.095 -10.021
  243    HG3  ARG  34           HG1      ARG  34   8.063  -0.885 -10.524
  244    HD2  ARG  34           HD2      ARG  34   9.323  -2.605 -11.701
  245    HD3  ARG  34           HD1      ARG  34   8.155  -3.818 -11.175
  246    HE   ARG  34           HE       ARG  34   6.491  -2.446 -12.374
  247   HH11  ARG  34          HH11      ARG  34   9.854  -2.728 -13.375
  248   HH12  ARG  34          HH12      ARG  34   9.587  -2.237 -14.997
  249   HH21  ARG  34          HH21      ARG  34   6.115  -1.763 -14.660
  250   HH22  ARG  34          HH22      ARG  34   7.446  -1.694 -15.735
  251    H    PHE  35           HN       PHE  35   7.266  -3.059  -6.356
  252    HA   PHE  35           HA       PHE  35   8.635  -2.466  -3.985
  253    HB2  PHE  35           HB2      PHE  35   6.907  -4.835  -4.658
  254    HB3  PHE  35           HB1      PHE  35   7.478  -4.443  -3.037
  255    HD1  PHE  35           HD1      PHE  35   7.117  -1.753  -2.557
  256    HD2  PHE  35           HD2      PHE  35   4.720  -4.247  -5.025
  257    HE1  PHE  35           HE1      PHE  35   5.219  -0.230  -2.236
  258    HE2  PHE  35           HE2      PHE  35   2.818  -2.727  -4.706
  259    HZ   PHE  35           HZ       PHE  35   3.066  -0.716  -3.316
  260    H    GLU  36           HN       GLU  36   9.320  -4.771  -6.450
  261    HA   GLU  36           HA       GLU  36  11.185  -6.336  -5.038
  262    HB2  GLU  36           HB2      GLU  36  10.925  -5.713  -7.973
  263    HB3  GLU  36           HB1      GLU  36  12.071  -6.879  -7.326
  264    HG2  GLU  36           HG2      GLU  36   9.110  -7.037  -6.862
  265    HG3  GLU  36           HG1      GLU  36   9.938  -7.838  -8.195
  266    H    ASP  37           HN       ASP  37  11.467  -3.251  -6.623
  267    HA   ASP  37           HA       ASP  37  14.358  -3.266  -6.334
  268    HB2  ASP  37           HB2      ASP  37  13.558  -2.337  -8.397
  269    HB3  ASP  37           HB1      ASP  37  12.472  -1.249  -7.545
  270    H    ILE  38           HN       ILE  38  11.554  -1.681  -4.929
  271    HA   ILE  38           HA       ILE  38  13.312  -0.106  -3.275
  272    HB   ILE  38           HB       ILE  38  11.288   0.960  -2.296
  273   HG12  ILE  38          HG12      ILE  38   9.821  -0.709  -4.360
  274   HG13  ILE  38          HG11      ILE  38   9.699  -0.900  -2.617
  275   HG21  ILE  38          HG21      ILE  38  10.725   2.220  -4.326
  276   HG22  ILE  38          HG22      ILE  38  11.526   0.977  -5.290
  277   HG23  ILE  38          HG23      ILE  38  12.462   1.950  -4.156
  278   HD11  ILE  38          HD11      ILE  38   8.818   1.503  -4.207
  279   HD12  ILE  38          HD12      ILE  38   8.704   1.335  -2.456
  280   HD13  ILE  38          HD13      ILE  38   7.768   0.269  -3.505
  281    H    GLY  39           HN       GLY  39  12.605  -3.127  -2.966
  282    HA2  GLY  39           HA2      GLY  39  13.213  -4.519  -1.221
  283    HA3  GLY  39           HA1      GLY  39  13.531  -3.093  -0.255
  284    H    TYR  40           HN       TYR  40  10.595  -4.393  -1.756
  285    HA   TYR  40           HA       TYR  40   9.420  -4.348   0.919
  286    HB2  TYR  40           HB2      TYR  40   8.274  -3.541  -1.700
  287    HB3  TYR  40           HB1      TYR  40   7.214  -4.206  -0.470
  288    HD1  TYR  40           HD1      TYR  40   9.839  -1.612  -0.922
  289    HD2  TYR  40           HD2      TYR  40   6.238  -2.721   1.033
  290    HE1  TYR  40           HE1      TYR  40   9.742   0.595   0.086
  291    HE2  TYR  40           HE2      TYR  40   6.103  -0.502   2.065
  292    HH   TYR  40           HH       TYR  40   8.039   2.123   1.114
  293    H    ASP  41           HN       ASP  41   8.733  -6.087   1.679
  294    HA   ASP  41           HA       ASP  41   8.532  -8.519   0.084
  295    HB2  ASP  41           HB2      ASP  41   7.967  -8.072   3.029
  296    HB3  ASP  41           HB1      ASP  41   7.963  -9.613   2.218
  297    H    SER  42           HN       SER  42   6.603  -9.694   0.049
  298    HA   SER  42           HA       SER  42   4.242  -8.218  -0.332
  299    HB2  SER  42           HB2      SER  42   3.260 -10.611  -0.185
  300    HB3  SER  42           HB1      SER  42   4.318 -10.195  -1.535
  301    H    LEU  43           HN       LEU  43   5.507 -10.015   2.387
  302    HA   LEU  43           HA       LEU  43   3.302  -9.912   4.098
  303    HB2  LEU  43           HB2      LEU  43   5.324 -11.206   4.589
  304    HB3  LEU  43           HB1      LEU  43   6.238  -9.721   4.783
  305    HG   LEU  43           HG       LEU  43   4.769  -9.138   6.705
  306   HD11  LEU  43          HD11      LEU  43   3.426 -10.892   7.732
  307   HD12  LEU  43          HD12      LEU  43   3.756 -11.943   6.355
  308   HD13  LEU  43          HD13      LEU  43   2.833 -10.458   6.129
  309   HD21  LEU  43          HD21      LEU  43   6.267 -11.742   6.914
  310   HD22  LEU  43          HD22      LEU  43   5.814 -10.705   8.265
  311   HD23  LEU  43          HD23      LEU  43   6.961 -10.128   7.057
  312    H    ALA  44           HN       ALA  44   5.860  -7.559   3.457
  313    HA   ALA  44           HA       ALA  44   5.016  -5.677   5.405
  314    HB1  ALA  44           HB1      ALA  44   6.665  -5.226   2.910
  315    HB2  ALA  44           HB2      ALA  44   7.301  -5.670   4.494
  316    HB3  ALA  44           HB3      ALA  44   6.517  -4.107   4.267
  317    H    LEU  45           HN       LEU  45   4.224  -6.303   2.092
  318    HA   LEU  45           HA       LEU  45   2.785  -3.941   1.599
  319    HB2  LEU  45           HB2      LEU  45   2.602  -6.653   0.317
  320    HB3  LEU  45           HB1      LEU  45   1.768  -5.227  -0.280
  321    HG   LEU  45           HG       LEU  45   4.748  -5.552  -0.053
  322   HD11  LEU  45          HD11      LEU  45   2.931  -5.507  -2.458
  323   HD12  LEU  45          HD12      LEU  45   3.790  -6.916  -1.830
  324   HD13  LEU  45          HD13      LEU  45   4.693  -5.554  -2.497
  325   HD21  LEU  45          HD21      LEU  45   4.012  -3.274   0.334
  326   HD22  LEU  45          HD22      LEU  45   3.053  -3.316  -1.138
  327   HD23  LEU  45          HD23      LEU  45   4.818  -3.405  -1.234
  328    H    MET  46           HN       MET  46   1.783  -7.168   2.737
  329    HA   MET  46           HA       MET  46  -0.922  -6.343   2.865
  330    HB2  MET  46           HB2      MET  46  -1.405  -8.480   3.985
  331    HB3  MET  46           HB1      MET  46  -0.472  -8.701   2.526
  332    HG2  MET  46           HG2      MET  46   0.379 -10.231   4.075
  333    HG3  MET  46           HG1      MET  46   1.552  -8.930   3.996
  334    HE1  MET  46           HE1      MET  46  -1.459  -9.400   7.490
  335    HE2  MET  46           HE2      MET  46  -1.404 -10.490   6.106
  336    HE3  MET  46           HE3      MET  46  -1.907  -8.815   5.887
  337    H    GLU  47           HN       GLU  47   1.719  -6.234   5.064
  338    HA   GLU  47           HA       GLU  47   0.364  -5.602   7.460
  339    HB2  GLU  47           HB2      GLU  47   2.881  -6.162   6.914
  340    HB3  GLU  47           HB1      GLU  47   3.033  -4.450   6.613
  341    HG2  GLU  47           HG2      GLU  47   2.187  -5.660   9.244
  342    HG3  GLU  47           HG1      GLU  47   3.834  -5.217   8.837
  343    H    THR  48           HN       THR  48   1.678  -3.669   4.827
  344    HA   THR  48           HA       THR  48   0.929  -1.065   5.461
  345    HB   THR  48           HB       THR  48   1.012  -2.470   2.768
  346    HG1  THR  48           HG1      THR  48   3.014  -2.521   3.779
  347   HG21  THR  48          HG21      THR  48   1.109   0.492   3.363
  348   HG22  THR  48          HG22      THR  48  -0.222  -0.363   2.583
  349   HG23  THR  48          HG23      THR  48   1.341  -0.242   1.775
  350    H    ALA  49           HN       ALA  49  -0.813  -3.382   3.329
  351    HA   ALA  49           HA       ALA  49  -3.097  -1.950   2.883
  352    HB1  ALA  49           HB1      ALA  49  -2.823  -4.945   3.066
  353    HB2  ALA  49           HB2      ALA  49  -2.455  -3.965   1.646
  354    HB3  ALA  49           HB3      ALA  49  -4.112  -4.068   2.243
  355    H    ALA  50           HN       ALA  50  -2.477  -4.325   5.442
  356    HA   ALA  50           HA       ALA  50  -5.009  -4.505   6.542
  357    HB1  ALA  50           HB1      ALA  50  -2.387  -4.688   8.019
  358    HB2  ALA  50           HB2      ALA  50  -3.149  -5.993   7.110
  359    HB3  ALA  50           HB3      ALA  50  -3.933  -5.349   8.551
  360    H    ARG  51           HN       ARG  51  -2.579  -2.097   7.058
  361    HA   ARG  51           HA       ARG  51  -3.759  -0.915   9.359
  362    HB2  ARG  51           HB2      ARG  51  -1.370  -0.806   8.803
  363    HB3  ARG  51           HB1      ARG  51  -1.745   0.144   7.381
  364    HG2  ARG  51           HG2      ARG  51  -2.368   2.008   8.691
  365    HG3  ARG  51           HG1      ARG  51  -2.369   1.043  10.178
  366    HD2  ARG  51           HD2      ARG  51   0.028   0.621   9.887
  367    HD3  ARG  51           HD1      ARG  51   0.018   1.620   8.437
  368    HE   ARG  51           HE       ARG  51   0.062   3.463   9.702
  369   HH11  ARG  51          HH11      ARG  51  -0.773   0.716  11.848
  370   HH12  ARG  51          HH12      ARG  51  -0.510   1.571  13.285
  371   HH21  ARG  51          HH21      ARG  51   0.483   4.593  11.687
  372   HH22  ARG  51          HH22      ARG  51   0.215   3.841  13.213
  373    H    LEU  52           HN       LEU  52  -3.946  -0.356   5.906
  374    HA   LEU  52           HA       LEU  52  -5.627   1.972   6.273
  375    HB2  LEU  52           HB2      LEU  52  -4.771   0.551   3.760
  376    HB3  LEU  52           HB1      LEU  52  -5.729   2.019   3.796
  377    HG   LEU  52           HG       LEU  52  -2.896   1.745   4.815
  378   HD11  LEU  52          HD11      LEU  52  -4.001   3.152   2.408
  379   HD12  LEU  52          HD12      LEU  52  -3.054   1.660   2.390
  380   HD13  LEU  52          HD13      LEU  52  -2.317   3.170   2.933
  381   HD21  LEU  52          HD21      LEU  52  -2.979   4.178   5.085
  382   HD22  LEU  52          HD22      LEU  52  -4.181   3.382   6.104
  383   HD23  LEU  52          HD23      LEU  52  -4.678   4.176   4.609
  384    H    GLU  53           HN       GLU  53  -5.983  -1.399   5.445
  385    HA   GLU  53           HA       GLU  53  -8.634  -1.541   4.584
  386    HB2  GLU  53           HB2      GLU  53  -7.033  -3.424   6.311
  387    HB3  GLU  53           HB1      GLU  53  -8.632  -3.821   5.693
  388    HG2  GLU  53           HG2      GLU  53  -7.632  -3.643   3.382
  389    HG3  GLU  53           HG1      GLU  53  -6.086  -3.371   4.174
  390    H    SER  54           HN       SER  54  -7.427  -1.919   7.912
  391    HA   SER  54           HA       SER  54  -9.970  -1.983   9.074
  392    HB2  SER  54           HB2      SER  54  -7.308  -1.221  10.287
  393    HB3  SER  54           HB1      SER  54  -8.748  -1.730  11.183
  394    HG   SER  54           HG       SER  54  -8.513  -3.627   9.551
  395    H    ARG  55           HN       ARG  55  -7.786   0.633   8.337
  396    HA   ARG  55           HA       ARG  55  -9.002   2.671   9.817
  397    HB2  ARG  55           HB2      ARG  55  -6.785   2.956   8.974
  398    HB3  ARG  55           HB1      ARG  55  -7.324   2.739   7.321
  399    HG2  ARG  55           HG2      ARG  55  -8.491   4.851   7.387
  400    HG3  ARG  55           HG1      ARG  55  -8.072   5.054   9.093
  401    HD2  ARG  55           HD2      ARG  55  -5.731   5.166   8.552
  402    HD3  ARG  55           HD1      ARG  55  -6.067   4.794   6.863
  403    HE   ARG  55           HE       ARG  55  -6.902   6.949   6.556
  404   HH11  ARG  55          HH11      ARG  55  -5.957   6.470   9.936
  405   HH12  ARG  55          HH12      ARG  55  -5.741   8.121  10.254
  406   HH21  ARG  55          HH21      ARG  55  -6.548   9.219   6.958
  407   HH22  ARG  55          HH22      ARG  55  -6.053   9.716   8.508
  408    H    TYR  56           HN       TYR  56  -9.512   1.700   6.440
  409    HA   TYR  56           HA       TYR  56 -11.714   3.590   6.346
  410    HB2  TYR  56           HB2      TYR  56 -10.224   2.165   4.167
  411    HB3  TYR  56           HB1      TYR  56 -11.655   3.139   3.839
  412    HD1  TYR  56           HD2      TYR  56 -11.635   5.569   4.468
  413    HD2  TYR  56           HD1      TYR  56  -8.155   3.144   4.548
  414    HE1  TYR  56           HE2      TYR  56 -10.258   7.563   4.333
  415    HE2  TYR  56           HE1      TYR  56  -6.746   5.136   4.409
  416    HH   TYR  56           HH       TYR  56  -7.903   8.349   4.761
  417    H    GLY  57           HN       GLY  57 -11.477   0.576   7.302
  418    HA2  GLY  57           HA2      GLY  57 -13.103  -0.928   7.843
  419    HA3  GLY  57           HA1      GLY  57 -14.282   0.186   7.178
  420    H    VAL  58           HN       VAL  58 -11.588  -1.662   5.765
  421    HA   VAL  58           HA       VAL  58 -13.534  -3.083   4.120
  422    HB   VAL  58           HB       VAL  58 -12.146  -2.965   2.098
  423   HG11  VAL  58          HG11      VAL  58 -12.594  -0.243   3.208
  424   HG12  VAL  58          HG12      VAL  58 -13.829  -1.223   2.387
  425   HG13  VAL  58          HG13      VAL  58 -12.407  -0.628   1.501
  426   HG21  VAL  58          HG21      VAL  58 -10.354  -1.104   3.637
  427   HG22  VAL  58          HG22      VAL  58 -10.199  -1.511   1.925
  428   HG23  VAL  58          HG23      VAL  58  -9.951  -2.755   3.153
  429    H    SER  59           HN       SER  59 -12.301  -4.973   2.919
  430    HA   SER  59           HA       SER  59 -10.043  -5.942   4.391
  431    HB2  SER  59           HB2      SER  59 -12.653  -7.470   4.151
  432    HB3  SER  59           HB1      SER  59 -11.137  -8.129   4.774
  433    HG   SER  59           HG       SER  59 -11.623  -5.846   5.968
  434    H    ILE  60           HN       ILE  60  -8.661  -6.586   2.948
  435    HA   ILE  60           HA       ILE  60  -9.596  -7.521   0.310
  436    HB   ILE  60           HB       ILE  60  -7.143  -5.831   0.952
  437   HG12  ILE  60          HG12      ILE  60  -9.638  -5.090  -0.598
  438   HG13  ILE  60          HG11      ILE  60  -9.265  -4.563   1.037
  439   HG21  ILE  60          HG21      ILE  60  -6.782  -5.720  -1.478
  440   HG22  ILE  60          HG22      ILE  60  -8.132  -6.827  -1.723
  441   HG23  ILE  60          HG23      ILE  60  -6.685  -7.376  -0.876
  442   HD11  ILE  60          HD11      ILE  60  -8.798  -2.827  -0.592
  443   HD12  ILE  60          HD12      ILE  60  -7.691  -3.907  -1.441
  444   HD13  ILE  60          HD13      ILE  60  -7.315  -3.363   0.195
  445    HA   PRO  61           HA       PRO  61  -7.370 -11.276   1.394
  446    HB2  PRO  61           HB2      PRO  61  -6.729 -11.229  -1.527
  447    HB3  PRO  61           HB1      PRO  61  -7.367 -12.549  -0.541
  448    HG2  PRO  61           HG2      PRO  61  -8.957 -11.195  -2.186
  449    HG3  PRO  61           HG1      PRO  61  -9.528 -11.726  -0.593
  450    HD2  PRO  61           HD2      PRO  61  -8.748  -9.005  -1.519
  451    HD3  PRO  61           HD1      PRO  61  -9.976  -9.487  -0.332
  452    H    ASP  62           HN       ASP  62  -5.435 -11.186   2.314
  453    HA   ASP  62           HA       ASP  62  -3.495  -9.235   1.619
  454    HB2  ASP  62           HB2      ASP  62  -2.063 -10.101   3.346
  455    HB3  ASP  62           HB1      ASP  62  -3.708 -10.142   3.949
  456    H    ASP  63           HN       ASP  63  -4.022 -12.437   0.637
  457    HA   ASP  63           HA       ASP  63  -1.620 -13.130  -0.590
  458    HB2  ASP  63           HB2      ASP  63  -3.548 -14.653  -0.556
  459    HB3  ASP  63           HB1      ASP  63  -4.445 -13.566  -1.609
  460    H    VAL  64           HN       VAL  64  -4.330 -11.233  -1.833
  461    HA   VAL  64           HA       VAL  64  -3.154 -10.598  -4.344
  462    HB   VAL  64           HB       VAL  64  -5.440  -9.200  -2.915
  463   HG11  VAL  64          HG11      VAL  64  -6.142  -8.491  -5.157
  464   HG12  VAL  64          HG12      VAL  64  -4.701  -9.241  -5.843
  465   HG13  VAL  64          HG13      VAL  64  -4.545  -7.869  -4.747
  466   HG21  VAL  64          HG21      VAL  64  -6.910 -10.631  -4.258
  467   HG22  VAL  64          HG22      VAL  64  -5.888 -11.570  -3.169
  468   HG23  VAL  64          HG23      VAL  64  -5.494 -11.474  -4.887
  469    H    ALA  65           HN       ALA  65  -3.313  -9.033  -1.218
  470    HA   ALA  65           HA       ALA  65  -2.296  -6.499  -1.845
  471    HB1  ALA  65           HB1      ALA  65  -3.195  -7.094   0.382
  472    HB2  ALA  65           HB2      ALA  65  -1.579  -6.362   0.473
  473    HB3  ALA  65           HB3      ALA  65  -1.761  -8.099   0.642
  474    H    GLY  66           HN       GLY  66  -0.685  -9.555  -1.292
  475    HA2  GLY  66           HA2      GLY  66   1.933  -8.353  -1.514
  476    HA3  GLY  66           HA1      GLY  66   1.572 -10.045  -1.258
  477    H    ARG  67           HN       ARG  67  -0.346  -9.061  -3.784
  478    HA   ARG  67           HA       ARG  67   1.491 -10.345  -5.681
  479    HB2  ARG  67           HB2      ARG  67  -1.446  -9.728  -6.001
  480    HB3  ARG  67           HB1      ARG  67  -0.456 -10.553  -7.181
  481    HG2  ARG  67           HG2      ARG  67  -1.350 -11.531  -4.494
  482    HG3  ARG  67           HG1      ARG  67  -1.757 -12.171  -6.085
  483    HD2  ARG  67           HD2      ARG  67  -0.133 -13.652  -5.701
  484    HD3  ARG  67           HD1      ARG  67   0.978 -12.324  -6.046
  485    HE   ARG  67           HE       ARG  67   0.028 -12.539  -3.336
  486   HH11  ARG  67          HH11      ARG  67   2.685 -12.979  -5.593
  487   HH12  ARG  67          HH12      ARG  67   3.800 -13.580  -4.468
  488   HH21  ARG  67          HH21      ARG  67   1.600 -13.398  -1.655
  489   HH22  ARG  67          HH22      ARG  67   3.170 -13.737  -2.204
  490    H    VAL  68           HN       VAL  68   0.609  -7.280  -4.802
  491    HA   VAL  68           HA       VAL  68   0.284  -6.136  -7.360
  492    HB   VAL  68           HB       VAL  68   0.624  -3.904  -6.253
  493   HG11  VAL  68          HG11      VAL  68  -1.430  -4.031  -4.911
  494   HG12  VAL  68          HG12      VAL  68  -1.324  -5.792  -4.923
  495   HG13  VAL  68          HG13      VAL  68  -1.594  -4.914  -6.429
  496   HG21  VAL  68          HG21      VAL  68   2.183  -4.606  -4.508
  497   HG22  VAL  68          HG22      VAL  68   0.926  -5.613  -3.791
  498   HG23  VAL  68          HG23      VAL  68   0.748  -3.859  -3.800
  499    H    ASP  69           HN       ASP  69   1.825  -4.030  -7.771
  500    HA   ASP  69           HA       ASP  69   4.525  -5.187  -8.062
  501    HB2  ASP  69           HB2      ASP  69   3.266  -5.531 -10.146
  502    HB3  ASP  69           HB1      ASP  69   2.928  -3.809 -10.230
  503    H    THR  70           HN       THR  70   2.678  -2.231  -8.735
  504    HA   THR  70           HA       THR  70   4.920  -0.647  -7.767
  505    HB   THR  70           HB       THR  70   3.709   1.176  -8.961
  506    HG1  THR  70           HG1      THR  70   2.028   0.040 -10.511
  507   HG21  THR  70          HG21      THR  70   4.209  -1.270 -10.681
  508   HG22  THR  70          HG22      THR  70   5.433  -0.103 -10.179
  509   HG23  THR  70          HG23      THR  70   4.132   0.394 -11.262
  510    HA   PRO  71           HA       PRO  71   2.308   0.742  -4.286
  511    HB2  PRO  71           HB2      PRO  71   3.150   3.481  -5.163
  512    HB3  PRO  71           HB1      PRO  71   3.189   2.769  -3.542
  513    HG2  PRO  71           HG2      PRO  71   5.430   3.013  -4.891
  514    HG3  PRO  71           HG1      PRO  71   5.098   1.505  -4.008
  515    HD2  PRO  71           HD2      PRO  71   4.854   2.080  -6.936
  516    HD3  PRO  71           HD1      PRO  71   5.518   0.647  -6.129
  517    H    ARG  72           HN       ARG  72   2.312   2.266  -7.436
  518    HA   ARG  72           HA       ARG  72  -0.203   3.497  -7.469
  519    HB2  ARG  72           HB2      ARG  72   1.422   3.671  -9.349
  520    HB3  ARG  72           HB1      ARG  72   1.121   1.993  -9.760
  521    HG2  ARG  72           HG2      ARG  72  -1.202   2.550 -10.305
  522    HG3  ARG  72           HG1      ARG  72  -0.889   4.233  -9.895
  523    HD2  ARG  72           HD2      ARG  72   0.489   2.679 -12.096
  524    HD3  ARG  72           HD1      ARG  72  -0.833   3.816 -12.328
  525    HE   ARG  72           HE       ARG  72   1.905   4.511 -11.464
  526   HH11  ARG  72          HH11      ARG  72  -1.167   5.482 -13.008
  527   HH12  ARG  72          HH12      ARG  72  -0.590   7.015 -13.461
  528   HH21  ARG  72          HH21      ARG  72   2.672   6.622 -12.168
  529   HH22  ARG  72          HH22      ARG  72   1.587   7.717 -12.896
  530    H    GLU  73           HN       GLU  73   0.603   0.126  -8.368
  531    HA   GLU  73           HA       GLU  73  -1.966  -0.862  -8.802
  532    HB2  GLU  73           HB2      GLU  73   0.482  -2.260  -7.738
  533    HB3  GLU  73           HB1      GLU  73  -1.011  -3.098  -8.123
  534    HG2  GLU  73           HG2      GLU  73   0.735  -1.565 -10.026
  535    HG3  GLU  73           HG1      GLU  73   0.574  -3.320  -9.911
  536    H    LEU  74           HN       LEU  74  -0.130  -0.697  -5.803
  537    HA   LEU  74           HA       LEU  74  -1.997  -2.091  -4.194
  538    HB2  LEU  74           HB2      LEU  74   0.458  -1.635  -3.689
  539    HB3  LEU  74           HB1      LEU  74   0.014  -0.001  -3.291
  540    HG   LEU  74           HG       LEU  74   0.441  -1.461  -1.320
  541   HD11  LEU  74          HD11      LEU  74  -1.494  -0.838   0.013
  542   HD12  LEU  74          HD12      LEU  74  -2.369  -0.412  -1.459
  543   HD13  LEU  74          HD13      LEU  74  -0.930   0.491  -0.998
  544   HD21  LEU  74          HD21      LEU  74  -0.414  -3.558  -2.180
  545   HD22  LEU  74          HD22      LEU  74  -2.052  -2.904  -2.210
  546   HD23  LEU  74          HD23      LEU  74  -1.226  -3.139  -0.670
  547    H    LEU  75           HN       LEU  75  -1.519   1.324  -4.910
  548    HA   LEU  75           HA       LEU  75  -3.483   2.417  -3.251
  549    HB2  LEU  75           HB2      LEU  75  -1.721   3.690  -4.451
  550    HB3  LEU  75           HB1      LEU  75  -2.550   3.381  -5.959
  551    HG   LEU  75           HG       LEU  75  -4.474   4.700  -5.162
  552   HD11  LEU  75          HD11      LEU  75  -2.717   5.248  -2.779
  553   HD12  LEU  75          HD12      LEU  75  -4.220   4.319  -2.796
  554   HD13  LEU  75          HD13      LEU  75  -4.250   6.045  -3.146
  555   HD21  LEU  75          HD21      LEU  75  -2.710   5.775  -6.479
  556   HD22  LEU  75          HD22      LEU  75  -1.828   6.150  -4.998
  557   HD23  LEU  75          HD23      LEU  75  -3.400   6.889  -5.299
  558    H    ASP  76           HN       ASP  76  -3.620   1.374  -6.637
  559    HA   ASP  76           HA       ASP  76  -6.343   1.913  -7.084
  560    HB2  ASP  76           HB2      ASP  76  -4.434   0.019  -8.429
  561    HB3  ASP  76           HB1      ASP  76  -6.135   0.038  -8.865
  562    H    LEU  77           HN       LEU  77  -4.744  -0.916  -5.822
  563    HA   LEU  77           HA       LEU  77  -6.898  -2.693  -5.868
  564    HB2  LEU  77           HB2      LEU  77  -4.588  -3.383  -5.472
  565    HB3  LEU  77           HB1      LEU  77  -4.588  -2.557  -3.929
  566    HG   LEU  77           HG       LEU  77  -6.312  -4.123  -3.108
  567   HD11  LEU  77          HD11      LEU  77  -7.349  -4.699  -5.225
  568   HD12  LEU  77          HD12      LEU  77  -6.805  -6.151  -4.380
  569   HD13  LEU  77          HD13      LEU  77  -5.875  -5.519  -5.740
  570   HD21  LEU  77          HD21      LEU  77  -3.953  -4.549  -2.674
  571   HD22  LEU  77          HD22      LEU  77  -3.819  -5.425  -4.199
  572   HD23  LEU  77          HD23      LEU  77  -4.830  -6.061  -2.903
  573    H    ILE  78           HN       ILE  78  -5.792  -0.559  -3.252
  574    HA   ILE  78           HA       ILE  78  -7.984  -1.345  -1.615
  575    HB   ILE  78           HB       ILE  78  -6.101   1.002  -1.216
  576   HG12  ILE  78          HG12      ILE  78  -6.103  -1.793  -0.039
  577   HG13  ILE  78          HG11      ILE  78  -4.934  -1.147  -1.185
  578   HG21  ILE  78          HG21      ILE  78  -8.084  -0.272   0.692
  579   HG22  ILE  78          HG22      ILE  78  -8.177   1.353  -0.008
  580   HG23  ILE  78          HG23      ILE  78  -6.892   0.960   1.123
  581   HD11  ILE  78          HD11      ILE  78  -4.046  -1.209   1.093
  582   HD12  ILE  78          HD12      ILE  78  -5.362  -0.149   1.621
  583   HD13  ILE  78          HD13      ILE  78  -4.163   0.442   0.476
  584    H    ASN  79           HN       ASN  79  -7.320   1.497  -3.652
  585    HA   ASN  79           HA       ASN  79  -9.652   2.860  -2.861
  586    HB2  ASN  79           HB2      ASN  79  -7.997   3.159  -5.356
  587    HB3  ASN  79           HB1      ASN  79  -9.433   4.133  -5.054
  588   HD21  ASN  79          HD21      ASN  79  -6.830   5.101  -5.309
  589   HD22  ASN  79          HD22      ASN  79  -6.372   5.838  -3.803
  590    H    GLY  80           HN       GLY  80  -9.192   0.385  -5.195
  591    HA2  GLY  80           HA2      GLY  80 -11.708   0.601  -6.481
  592    HA3  GLY  80           HA1      GLY  80 -10.762  -0.881  -6.341
  593    H    ALA  81           HN       ALA  81 -10.653  -0.912  -3.522
  594    HA   ALA  81           HA       ALA  81 -13.163  -2.154  -2.943
  595    HB1  ALA  81           HB1      ALA  81 -11.061  -3.068  -2.069
  596    HB2  ALA  81           HB2      ALA  81 -12.170  -2.647  -0.763
  597    HB3  ALA  81           HB3      ALA  81 -10.808  -1.590  -1.139
  598    H    LEU  82           HN       LEU  82 -11.551   0.832  -2.164
  599    HA   LEU  82           HA       LEU  82 -13.397   1.702  -0.174
  600    HB2  LEU  82           HB2      LEU  82 -11.475   3.320  -1.835
  601    HB3  LEU  82           HB1      LEU  82 -12.315   3.887  -0.410
  602    HG   LEU  82           HG       LEU  82 -10.193   1.760  -0.529
  603   HD11  LEU  82          HD11      LEU  82  -8.922   3.321   0.842
  604   HD12  LEU  82          HD12      LEU  82 -10.238   4.490   0.717
  605   HD13  LEU  82          HD13      LEU  82  -9.343   4.013  -0.725
  606   HD21  LEU  82          HD21      LEU  82 -10.380   1.669   1.895
  607   HD22  LEU  82          HD22      LEU  82 -11.878   1.166   1.110
  608   HD23  LEU  82          HD23      LEU  82 -11.756   2.771   1.834
  609    H    ALA  83           HN       ALA  83 -13.338   1.815  -3.598
  610    HA   ALA  83           HA       ALA  83 -15.273   3.871  -3.948
  611    HB1  ALA  83           HB1      ALA  83 -15.400   3.052  -6.252
  612    HB2  ALA  83           HB2      ALA  83 -14.468   1.624  -5.797
  613    HB3  ALA  83           HB3      ALA  83 -13.723   3.220  -5.729
  614    H    GLU  84           HN       GLU  84 -15.370   0.573  -3.123
  615    HA   GLU  84           HA       GLU  84 -18.239   0.371  -3.629
  616    HB2  GLU  84           HB2      GLU  84 -16.638  -1.487  -4.254
  617    HB3  GLU  84           HB1      GLU  84 -16.331  -1.728  -2.544
  618    HG2  GLU  84           HG2      GLU  84 -17.899  -3.355  -3.333
  619    HG3  GLU  84           HG1      GLU  84 -18.715  -2.249  -2.223
  620    H    ALA  85           HN       ALA  85 -15.977  -0.488  -1.035
  621    HA   ALA  85           HA       ALA  85 -16.061  -0.552   1.157
  622    HB1  ALA  85           HB1      ALA  85 -17.455   2.114   0.911
  623    HB2  ALA  85           HB2      ALA  85 -15.713   1.862   0.794
  624    HB3  ALA  85           HB3      ALA  85 -16.553   1.521   2.308
  625    H    ALA  86           HN       ALA  86 -17.457  -2.356   1.041
  626    HA   ALA  86           HA       ALA  86 -19.926  -1.836   2.518
  627    HB1  ALA  86           HB1      ALA  86 -21.113  -3.525   1.194
  628    HB2  ALA  86           HB2      ALA  86 -19.689  -3.731   0.174
  629    HB3  ALA  86           HB3      ALA  86 -20.559  -2.197   0.174
  630    H28  SXD  87          H28B      SXD  87   3.619 -12.030   1.856
  631   H28A  SXD  87          H28A      SXD  87   3.920 -13.759   2.013
  632    H30  SXD  87          H30A      SXD  87   0.815 -13.374   3.785
  633   H30A  SXD  87          H30C      SXD  87   2.453 -14.022   3.813
  634   H30B  SXD  87          H30B      SXD  87   2.198 -12.278   3.807
  635    H31  SXD  87          H31A      SXD  87  -0.018 -12.202   1.692
  636   H31A  SXD  87          H31C      SXD  87   1.378 -11.135   1.853
  637   H31B  SXD  87          H31B      SXD  87   1.092 -11.996   0.339
  638    H32  SXD  87          H32A      SXD  87   2.120 -15.310   1.190
  639   HO33  SXD  87          H33A      SXD  87  -0.180 -14.451   0.190
  640   HN36  SXD  87          H36A      SXD  87   1.479 -16.015   3.301
  641    H37  SXD  87          H37B      SXD  87  -1.187 -17.096   3.434
  642   H37A  SXD  87          H37A      SXD  87  -0.845 -15.924   4.705
  643    H38  SXD  87          H38A      SXD  87  -0.452 -18.211   5.458
  644   H38A  SXD  87          H38B      SXD  87   0.694 -18.457   4.155
  645   HN41  SXD  87          H41A      SXD  87   0.848 -15.321   5.605
  646    H42  SXD  87          H42B      SXD  87   3.338 -15.017   6.232
  647   H42A  SXD  87          H42A      SXD  87   2.882 -16.142   7.514
  648    H43  SXD  87          H43B      SXD  87   1.764 -13.385   7.108
  649   H43A  SXD  87          H43A      SXD  87   1.161 -14.591   8.264
  650    H1   SXD  87           H1A      SXD  87   1.499 -12.894  10.273
  651    H1A  SXD  87           H1B      SXD  87   2.179 -11.667   9.186
  652    H2   SXD  87           H2A      SXD  87   2.750 -11.097  11.470
  653    H2A  SXD  87           H2B      SXD  87   4.197 -11.721  10.702
  654    H4   SXD  87           H4B      SXD  87   2.107 -12.124  13.639
  655    H4A  SXD  87           H4A      SXD  87   3.052 -13.542  14.131
  656    H6   SXD  87           H6C      SXD  87   6.094 -12.291  14.808
  657    H6A  SXD  87           H6A      SXD  87   4.836 -13.442  15.270
  658    H6B  SXD  87           H6B      SXD  87   5.000 -11.914  16.144
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -19.620  11.054  -3.828
    2    H2   MET   1           HT2      MET   1 -18.979  10.906  -2.281
    3    H3   MET   1           HT3      MET   1 -20.599  10.582  -2.514
    4    HA   MET   1           HA       MET   1 -19.333   8.573  -2.232
    5    HB2  MET   1           HB2      MET   1 -20.135   8.878  -5.149
    6    HB3  MET   1           HB1      MET   1 -19.918   7.363  -4.296
    7    HG2  MET   1           HG2      MET   1 -22.236   7.711  -4.465
    8    HG3  MET   1           HG1      MET   1 -21.813   8.080  -2.795
    9    HE1  MET   1           HE1      MET   1 -22.827   9.506  -6.292
   10    HE2  MET   1           HE2      MET   1 -21.253  10.261  -6.039
   11    HE3  MET   1           HE3      MET   1 -22.715  11.248  -6.033
   12    H    ALA   2           HN       ALA   2 -17.190  10.218  -2.224
   13    HA   ALA   2           HA       ALA   2 -15.428   8.767  -3.979
   14    HB1  ALA   2           HB1      ALA   2 -14.229  10.772  -4.662
   15    HB2  ALA   2           HB2      ALA   2 -15.371  11.776  -3.770
   16    HB3  ALA   2           HB3      ALA   2 -15.916  10.858  -5.171
   17    H    THR   3           HN       THR   3 -15.167   7.738  -1.877
   18    HA   THR   3           HA       THR   3 -13.313   9.219  -0.155
   19    HB   THR   3           HB       THR   3 -14.855   6.683   0.301
   20    HG1  THR   3           HG1      THR   3 -15.270   9.295   1.380
   21   HG21  THR   3          HG21      THR   3 -12.794   6.783   1.622
   22   HG22  THR   3          HG22      THR   3 -14.193   6.961   2.680
   23   HG23  THR   3          HG23      THR   3 -13.244   8.377   2.228
   24    H    LEU   4           HN       LEU   4 -11.345   8.830  -0.988
   25    HA   LEU   4           HA       LEU   4 -10.597   6.087  -1.672
   26    HB2  LEU   4           HB2      LEU   4 -10.041   8.533  -3.367
   27    HB3  LEU   4           HB1      LEU   4  -9.435   6.918  -3.673
   28    HG   LEU   4           HG       LEU   4 -12.349   7.691  -3.724
   29   HD11  LEU   4          HD11      LEU   4 -12.159   7.491  -6.168
   30   HD12  LEU   4          HD12      LEU   4 -10.421   7.239  -6.003
   31   HD13  LEU   4          HD13      LEU   4 -11.139   8.781  -5.536
   32   HD21  LEU   4          HD21      LEU   4 -10.943   5.170  -4.612
   33   HD22  LEU   4          HD22      LEU   4 -12.658   5.518  -4.829
   34   HD23  LEU   4          HD23      LEU   4 -11.993   5.339  -3.206
   35    H    LEU   5           HN       LEU   5  -8.129   6.091  -1.988
   36    HA   LEU   5           HA       LEU   5  -6.957   7.465   0.298
   37    HB2  LEU   5           HB2      LEU   5  -5.793   5.492  -1.652
   38    HB3  LEU   5           HB1      LEU   5  -4.915   6.186  -0.307
   39    HG   LEU   5           HG       LEU   5  -7.293   4.350  -0.136
   40   HD11  LEU   5          HD11      LEU   5  -5.266   3.293  -0.996
   41   HD12  LEU   5          HD12      LEU   5  -5.629   2.743   0.642
   42   HD13  LEU   5          HD13      LEU   5  -4.356   3.933   0.372
   43   HD21  LEU   5          HD21      LEU   5  -6.754   4.263   2.235
   44   HD22  LEU   5          HD22      LEU   5  -7.150   5.910   1.743
   45   HD23  LEU   5          HD23      LEU   5  -5.467   5.445   1.993
   46    H    THR   6           HN       THR   6  -5.523   9.104   0.131
   47    HA   THR   6           HA       THR   6  -5.013  10.106  -2.514
   48    HB   THR   6           HB       THR   6  -3.923  12.007  -1.205
   49    HG1  THR   6           HG1      THR   6  -3.697  11.710   0.823
   50   HG21  THR   6          HG21      THR   6  -6.834  11.387  -0.660
   51   HG22  THR   6          HG22      THR   6  -6.204  12.167  -2.112
   52   HG23  THR   6          HG23      THR   6  -6.086  12.982  -0.552
   53    H    THR   7           HN       THR   7  -2.487  11.202  -2.398
   54    HA   THR   7           HA       THR   7  -0.905   8.884  -2.749
   55    HB   THR   7           HB       THR   7  -0.136  11.804  -2.752
   56    HG1  THR   7           HG1      THR   7  -0.579  10.555  -5.182
   57   HG21  THR   7          HG21      THR   7   1.726  10.216  -2.719
   58   HG22  THR   7          HG22      THR   7   1.612  11.046  -4.277
   59   HG23  THR   7          HG23      THR   7   1.036   9.384  -4.114
   60    H    ASP   8           HN       ASP   8  -0.978  11.594  -0.473
   61    HA   ASP   8           HA       ASP   8   1.311  10.950   1.018
   62    HB2  ASP   8           HB2      ASP   8   0.410  12.535   2.676
   63    HB3  ASP   8           HB1      ASP   8   0.304  13.185   1.047
   64    H    ASP   9           HN       ASP   9  -1.956   9.829   1.122
   65    HA   ASP   9           HA       ASP   9  -1.896   8.703   3.756
   66    HB2  ASP   9           HB2      ASP   9  -3.944   9.244   2.215
   67    HB3  ASP   9           HB1      ASP   9  -3.622   7.660   1.528
   68    H    LEU  10           HN       LEU  10  -1.477   7.450   0.487
   69    HA   LEU  10           HA       LEU  10  -0.890   4.788   1.147
   70    HB2  LEU  10           HB2      LEU  10  -1.464   5.576  -1.123
   71    HB3  LEU  10           HB1      LEU  10   0.059   6.432  -1.206
   72    HG   LEU  10           HG       LEU  10   1.239   4.243  -1.042
   73   HD11  LEU  10          HD11      LEU  10  -0.491   2.952   0.058
   74   HD12  LEU  10          HD12      LEU  10  -0.019   2.193  -1.465
   75   HD13  LEU  10          HD13      LEU  10  -1.526   3.099  -1.362
   76   HD21  LEU  10          HD21      LEU  10   0.904   5.303  -3.190
   77   HD22  LEU  10          HD22      LEU  10  -0.697   4.579  -3.325
   78   HD23  LEU  10          HD23      LEU  10   0.741   3.554  -3.351
   79    H    ARG  11           HN       ARG  11   1.097   7.671   0.816
   80    HA   ARG  11           HA       ARG  11   3.654   6.590   1.013
   81    HB2  ARG  11           HB2      ARG  11   3.143   8.990   0.536
   82    HB3  ARG  11           HB1      ARG  11   2.751   9.206   2.234
   83    HG2  ARG  11           HG2      ARG  11   5.072   8.511   2.799
   84    HG3  ARG  11           HG1      ARG  11   5.432   8.479   1.074
   85    HD2  ARG  11           HD2      ARG  11   6.169  10.577   1.919
   86    HD3  ARG  11           HD1      ARG  11   4.713  10.872   0.970
   87    HE   ARG  11           HE       ARG  11   4.526  10.553   3.865
   88   HH11  ARG  11          HH11      ARG  11   4.019  12.599   0.984
   89   HH12  ARG  11          HH12      ARG  11   3.397  13.919   1.867
   90   HH21  ARG  11          HH21      ARG  11   3.609  12.405   5.062
   91   HH22  ARG  11          HH22      ARG  11   3.171  13.795   4.231
   92    H    ARG  12           HN       ARG  12   1.682   7.936   3.694
   93    HA   ARG  12           HA       ARG  12   3.404   7.123   5.724
   94    HB2  ARG  12           HB2      ARG  12   1.174   7.006   7.183
   95    HB3  ARG  12           HB1      ARG  12   1.909   8.540   6.726
   96    HG2  ARG  12           HG2      ARG  12   0.300   8.785   4.940
   97    HG3  ARG  12           HG1      ARG  12  -0.347   7.181   5.269
   98    HD2  ARG  12           HD2      ARG  12  -0.327   9.321   7.370
   99    HD3  ARG  12           HD1      ARG  12  -1.614   9.228   6.170
  100    HE   ARG  12           HE       ARG  12  -1.735   6.795   7.023
  101   HH11  ARG  12          HH11      ARG  12  -0.951   9.525   9.148
  102   HH12  ARG  12          HH12      ARG  12  -1.975   8.990  10.417
  103   HH21  ARG  12          HH21      ARG  12  -3.050   6.052   8.855
  104   HH22  ARG  12          HH22      ARG  12  -3.098   6.994  10.279
  105    H    ALA  13           HN       ALA  13   0.866   5.273   4.220
  106    HA   ALA  13           HA       ALA  13   0.929   3.139   6.071
  107    HB1  ALA  13           HB1      ALA  13   0.104   3.101   3.170
  108    HB2  ALA  13           HB2      ALA  13  -0.936   3.515   4.531
  109    HB3  ALA  13           HB3      ALA  13  -0.289   1.879   4.381
  110    H    LEU  14           HN       LEU  14   2.495   3.547   2.898
  111    HA   LEU  14           HA       LEU  14   3.824   1.071   2.888
  112    HB2  LEU  14           HB2      LEU  14   4.485   3.645   1.477
  113    HB3  LEU  14           HB1      LEU  14   5.333   2.139   1.192
  114    HG   LEU  14           HG       LEU  14   2.396   2.621   0.658
  115   HD11  LEU  14          HD11      LEU  14   3.837   3.852  -0.866
  116   HD12  LEU  14          HD12      LEU  14   3.051   2.509  -1.692
  117   HD13  LEU  14          HD13      LEU  14   4.744   2.382  -1.210
  118   HD21  LEU  14          HD21      LEU  14   2.886   0.295   1.243
  119   HD22  LEU  14          HD22      LEU  14   4.169   0.260   0.034
  120   HD23  LEU  14          HD23      LEU  14   2.489   0.448  -0.470
  121    H    VAL  15           HN       VAL  15   4.891   4.257   3.964
  122    HA   VAL  15           HA       VAL  15   7.545   3.591   4.540
  123    HB   VAL  15           HB       VAL  15   5.782   5.715   5.814
  124   HG11  VAL  15          HG11      VAL  15   8.784   5.391   5.973
  125   HG12  VAL  15          HG12      VAL  15   7.644   5.181   7.305
  126   HG13  VAL  15          HG13      VAL  15   7.863   6.771   6.577
  127   HG21  VAL  15          HG21      VAL  15   7.890   5.871   3.662
  128   HG22  VAL  15          HG22      VAL  15   7.012   7.240   4.342
  129   HG23  VAL  15          HG23      VAL  15   6.148   6.004   3.424
  130    H    GLU  16           HN       GLU  16   4.724   3.598   6.733
  131    HA   GLU  16           HA       GLU  16   6.026   2.851   9.079
  132    HB2  GLU  16           HB2      GLU  16   3.252   2.129   8.171
  133    HB3  GLU  16           HB1      GLU  16   3.859   1.900   9.798
  134    HG2  GLU  16           HG2      GLU  16   3.506   4.520   8.378
  135    HG3  GLU  16           HG1      GLU  16   2.469   3.855   9.635
  136    H    SER  17           HN       SER  17   4.681   0.792   6.530
  137    HA   SER  17           HA       SER  17   5.107  -1.623   7.923
  138    HB2  SER  17           HB2      SER  17   4.676  -1.149   4.991
  139    HB3  SER  17           HB1      SER  17   4.425  -2.659   5.875
  140    HG   SER  17           HG       SER  17   2.932  -1.348   7.222
  141    H    ALA  18           HN       ALA  18   7.080   0.209   5.652
  142    HA   ALA  18           HA       ALA  18   8.952  -1.983   5.327
  143    HB1  ALA  18           HB1      ALA  18   8.572  -0.414   3.480
  144    HB2  ALA  18           HB2      ALA  18  10.260  -0.402   3.992
  145    HB3  ALA  18           HB3      ALA  18   9.180   0.906   4.478
  146    H    GLY  19           HN       GLY  19   8.671   0.986   7.089
  147    HA2  GLY  19           HA2      GLY  19   9.830   0.697   9.345
  148    HA3  GLY  19           HA1      GLY  19  11.285   0.647   8.329
  149    H    GLU  20           HN       GLU  20   9.660   2.612  10.193
  150    HA   GLU  20           HA       GLU  20   9.402   4.827   8.382
  151    HB2  GLU  20           HB2      GLU  20   7.940   4.281  10.457
  152    HB3  GLU  20           HB1      GLU  20   9.257   4.965  11.390
  153    HG2  GLU  20           HG2      GLU  20   7.711   6.396   9.256
  154    HG3  GLU  20           HG1      GLU  20   7.404   6.533  10.984
  155    H    THR  21           HN       THR  21  11.041   5.942   7.764
  156    HA   THR  21           HA       THR  21  13.021   6.938   7.569
  157    HB   THR  21           HB       THR  21  13.421   6.593  10.588
  158    HG1  THR  21           HG1      THR  21  11.427   7.822   9.600
  159   HG21  THR  21          HG21      THR  21  14.842   8.596  10.376
  160   HG22  THR  21          HG22      THR  21  14.521   8.650   8.643
  161   HG23  THR  21          HG23      THR  21  15.435   7.308   9.327
  162    H    ASP  22           HN       ASP  22  12.749   4.389   6.932
  163    HA   ASP  22           HA       ASP  22  15.001   2.803   7.873
  164    HB2  ASP  22           HB2      ASP  22  13.058   1.524   7.430
  165    HB3  ASP  22           HB1      ASP  22  12.748   2.367   5.922
  166    H    GLY  23           HN       GLY  23  13.997   4.766   5.230
  167    HA2  GLY  23           HA2      GLY  23  15.917   5.881   4.046
  168    HA3  GLY  23           HA1      GLY  23  16.527   4.234   3.788
  169    H    THR  24           HN       THR  24  13.495   3.672   3.726
  170    HA   THR  24           HA       THR  24  13.182   3.681   0.921
  171    HB   THR  24           HB       THR  24  10.803   2.930   2.008
  172    HG1  THR  24           HG1      THR  24  12.485   1.788   3.893
  173   HG21  THR  24          HG21      THR  24  12.232   1.584   0.515
  174   HG22  THR  24          HG22      THR  24  11.677   0.628   1.892
  175   HG23  THR  24          HG23      THR  24  13.323   1.257   1.860
  176    H    ASP  25           HN       ASP  25  13.114   5.820   0.326
  177    HA   ASP  25           HA       ASP  25  11.257   7.630   1.588
  178    HB2  ASP  25           HB2      ASP  25  12.152   9.350   0.164
  179    HB3  ASP  25           HB1      ASP  25  13.499   8.421   0.801
  180    H    LEU  26           HN       LEU  26   9.345   8.158   0.870
  181    HA   LEU  26           HA       LEU  26   8.506   7.270  -1.786
  182    HB2  LEU  26           HB2      LEU  26   6.946   7.140   0.813
  183    HB3  LEU  26           HB1      LEU  26   6.198   6.994  -0.758
  184    HG   LEU  26           HG       LEU  26   6.334   4.851   0.104
  185   HD11  LEU  26          HD11      LEU  26   8.598   5.126  -1.844
  186   HD12  LEU  26          HD12      LEU  26   6.893   4.892  -2.215
  187   HD13  LEU  26          HD13      LEU  26   7.805   3.612  -1.416
  188   HD21  LEU  26          HD21      LEU  26   8.390   3.755   0.929
  189   HD22  LEU  26          HD22      LEU  26   7.926   5.147   1.904
  190   HD23  LEU  26          HD23      LEU  26   9.251   5.281   0.754
  191    H    SER  27           HN       SER  27   9.642   9.715  -1.082
  192    HA   SER  27           HA       SER  27   7.423  11.565  -0.907
  193    HB2  SER  27           HB2      SER  27  10.351  11.992  -0.933
  194    HB3  SER  27           HB1      SER  27   9.168  13.279  -0.659
  195    HG   SER  27           HG       SER  27   9.123  10.958   0.951
  196    H    GLY  28           HN       GLY  28   6.700  12.716  -2.630
  197    HA2  GLY  28           HA2      GLY  28   6.988  13.776  -4.726
  198    HA3  GLY  28           HA1      GLY  28   8.242  12.594  -5.116
  199    H    ASP  29           HN       ASP  29   7.317  11.792  -6.935
  200    HA   ASP  29           HA       ASP  29   4.722  10.488  -6.596
  201    HB2  ASP  29           HB2      ASP  29   4.813  11.822  -8.621
  202    HB3  ASP  29           HB1      ASP  29   6.311  11.035  -9.117
  203    H    PHE  30           HN       PHE  30   4.690   8.462  -6.154
  204    HA   PHE  30           HA       PHE  30   7.075   6.864  -6.782
  205    HB2  PHE  30           HB2      PHE  30   6.860   5.780  -4.567
  206    HB3  PHE  30           HB1      PHE  30   7.215   7.496  -4.458
  207    HD1  PHE  30           HD2      PHE  30   5.411   9.065  -3.749
  208    HD2  PHE  30           HD1      PHE  30   4.884   4.849  -3.661
  209    HE1  PHE  30           HE2      PHE  30   3.476   9.336  -2.259
  210    HE2  PHE  30           HE1      PHE  30   2.947   5.117  -2.178
  211    HZ   PHE  30           HZ       PHE  30   2.291   7.367  -1.412
  212    H    LEU  31           HN       LEU  31   4.206   7.123  -7.855
  213    HA   LEU  31           HA       LEU  31   2.832   4.775  -7.089
  214    HB2  LEU  31           HB2      LEU  31   2.510   6.456  -9.556
  215    HB3  LEU  31           HB1      LEU  31   1.460   5.123  -9.137
  216    HG   LEU  31           HG       LEU  31   1.811   7.693  -7.613
  217   HD11  LEU  31          HD11      LEU  31  -0.530   8.037  -8.201
  218   HD12  LEU  31          HD12      LEU  31  -0.522   6.534  -9.121
  219   HD13  LEU  31          HD13      LEU  31   0.485   7.889  -9.635
  220   HD21  LEU  31          HD21      LEU  31   0.059   6.840  -6.122
  221   HD22  LEU  31          HD22      LEU  31   1.506   5.833  -6.059
  222   HD23  LEU  31          HD23      LEU  31   0.095   5.292  -6.968
  223    H    ASP  32           HN       ASP  32   5.136   5.359  -9.655
  224    HA   ASP  32           HA       ASP  32   4.605   2.683 -10.704
  225    HB2  ASP  32           HB2      ASP  32   6.135   4.996 -11.902
  226    HB3  ASP  32           HB1      ASP  32   5.956   3.421 -12.661
  227    H    LEU  33           HN       LEU  33   6.139   3.216  -8.244
  228    HA   LEU  33           HA       LEU  33   8.836   2.344  -8.906
  229    HB2  LEU  33           HB2      LEU  33   7.350   2.423  -6.306
  230    HB3  LEU  33           HB1      LEU  33   9.056   2.025  -6.443
  231    HG   LEU  33           HG       LEU  33   7.714   4.680  -6.897
  232   HD11  LEU  33          HD11      LEU  33   9.226   5.413  -5.104
  233   HD12  LEU  33          HD12      LEU  33   9.833   3.764  -4.958
  234   HD13  LEU  33          HD13      LEU  33   8.148   4.121  -4.582
  235   HD21  LEU  33          HD21      LEU  33   9.929   5.586  -7.443
  236   HD22  LEU  33          HD22      LEU  33   9.407   4.383  -8.626
  237   HD23  LEU  33          HD23      LEU  33  10.602   3.954  -7.400
  238    H    ARG  34           HN       ARG  34   9.585   0.228  -7.862
  239    HA   ARG  34           HA       ARG  34   7.388  -1.737  -8.005
  240    HB2  ARG  34           HB2      ARG  34  10.263  -2.173  -8.836
  241    HB3  ARG  34           HB1      ARG  34   9.004  -3.395  -8.838
  242    HG2  ARG  34           HG2      ARG  34   7.781  -2.158 -10.530
  243    HG3  ARG  34           HG1      ARG  34   9.020  -0.900 -10.489
  244    HD2  ARG  34           HD2      ARG  34   9.433  -3.780 -11.276
  245    HD3  ARG  34           HD1      ARG  34   9.346  -2.409 -12.381
  246    HE   ARG  34           HE       ARG  34  11.343  -1.850 -10.558
  247   HH11  ARG  34          HH11      ARG  34  10.730  -4.270 -13.058
  248   HH12  ARG  34          HH12      ARG  34  12.366  -4.574 -13.398
  249   HH21  ARG  34          HH21      ARG  34  13.652  -2.274 -10.991
  250   HH22  ARG  34          HH22      ARG  34  14.081  -3.341 -12.226
  251    H    PHE  35           HN       PHE  35   7.138  -2.990  -6.328
  252    HA   PHE  35           HA       PHE  35   8.455  -2.401  -3.929
  253    HB2  PHE  35           HB2      PHE  35   6.648  -4.716  -4.613
  254    HB3  PHE  35           HB1      PHE  35   7.239  -4.383  -2.992
  255    HD1  PHE  35           HD1      PHE  35   6.963  -1.624  -2.545
  256    HD2  PHE  35           HD2      PHE  35   4.441  -4.162  -4.842
  257    HE1  PHE  35           HE1      PHE  35   5.081  -0.101  -2.147
  258    HE2  PHE  35           HE2      PHE  35   2.555  -2.637  -4.453
  259    HZ   PHE  35           HZ       PHE  35   2.871  -0.606  -3.104
  260    H    GLU  36           HN       GLU  36   8.880  -5.101  -6.151
  261    HA   GLU  36           HA       GLU  36  10.712  -6.510  -4.465
  262    HB2  GLU  36           HB2      GLU  36   9.368  -7.496  -6.356
  263    HB3  GLU  36           HB1      GLU  36  10.431  -6.662  -7.475
  264    HG2  GLU  36           HG2      GLU  36  11.076  -8.964  -7.292
  265    HG3  GLU  36           HG1      GLU  36  12.330  -7.939  -6.595
  266    H    ASP  37           HN       ASP  37  10.916  -3.895  -6.614
  267    HA   ASP  37           HA       ASP  37  13.730  -3.987  -7.185
  268    HB2  ASP  37           HB2      ASP  37  12.108  -3.008  -8.746
  269    HB3  ASP  37           HB1      ASP  37  11.691  -1.789  -7.556
  270    H    ILE  38           HN       ILE  38  11.605  -2.090  -5.071
  271    HA   ILE  38           HA       ILE  38  13.948  -0.847  -3.880
  272    HB   ILE  38           HB       ILE  38  12.375   0.575  -2.579
  273   HG12  ILE  38          HG12      ILE  38  10.242  -0.860  -4.197
  274   HG13  ILE  38          HG11      ILE  38  10.459  -0.952  -2.457
  275   HG21  ILE  38          HG21      ILE  38  11.601   1.914  -4.487
  276   HG22  ILE  38          HG22      ILE  38  11.963   0.563  -5.564
  277   HG23  ILE  38          HG23      ILE  38  13.267   1.363  -4.682
  278   HD11  ILE  38          HD11      ILE  38   9.675   1.504  -4.017
  279   HD12  ILE  38          HD12      ILE  38   9.886   1.423  -2.267
  280   HD13  ILE  38          HD13      ILE  38   8.601   0.499  -3.042
  281    H    GLY  39           HN       GLY  39  12.845  -3.672  -3.436
  282    HA2  GLY  39           HA2      GLY  39  13.301  -5.233  -1.801
  283    HA3  GLY  39           HA1      GLY  39  14.046  -3.949  -0.873
  284    H    TYR  40           HN       TYR  40  10.695  -4.137  -1.932
  285    HA   TYR  40           HA       TYR  40   9.840  -3.926   0.842
  286    HB2  TYR  40           HB2      TYR  40   8.657  -3.327  -1.770
  287    HB3  TYR  40           HB1      TYR  40   7.552  -4.094  -0.641
  288    HD1  TYR  40           HD1      TYR  40  10.068  -1.333  -0.666
  289    HD2  TYR  40           HD2      TYR  40   6.289  -2.733   0.664
  290    HE1  TYR  40           HE1      TYR  40   9.633   0.848   0.370
  291    HE2  TYR  40           HE2      TYR  40   5.818  -0.582   1.703
  292    HH   TYR  40           HH       TYR  40   7.118   1.354   2.562
  293    H    ASP  41           HN       ASP  41   8.835  -5.457   1.894
  294    HA   ASP  41           HA       ASP  41   8.791  -8.122   0.726
  295    HB2  ASP  41           HB2      ASP  41   8.067  -7.224   3.507
  296    HB3  ASP  41           HB1      ASP  41   8.134  -8.874   2.958
  297    H    SER  42           HN       SER  42   6.953  -9.386   0.739
  298    HA   SER  42           HA       SER  42   4.568  -7.974   0.154
  299    HB2  SER  42           HB2      SER  42   3.722 -10.521   0.207
  300    HB3  SER  42           HB1      SER  42   4.588  -9.828  -1.170
  301    H    LEU  43           HN       LEU  43   5.819  -9.642   2.935
  302    HA   LEU  43           HA       LEU  43   3.406  -9.663   4.402
  303    HB2  LEU  43           HB2      LEU  43   5.427 -10.985   4.998
  304    HB3  LEU  43           HB1      LEU  43   6.244  -9.499   5.430
  305    HG   LEU  43           HG       LEU  43   4.629  -9.143   7.254
  306   HD11  LEU  43          HD11      LEU  43   2.703 -10.289   6.287
  307   HD12  LEU  43          HD12      LEU  43   3.082 -10.934   7.884
  308   HD13  LEU  43          HD13      LEU  43   3.537 -11.836   6.437
  309   HD21  LEU  43          HD21      LEU  43   5.948 -11.853   7.267
  310   HD22  LEU  43          HD22      LEU  43   5.404 -10.961   8.691
  311   HD23  LEU  43          HD23      LEU  43   6.710 -10.320   7.697
  312    H    ALA  44           HN       ALA  44   5.890  -7.297   3.802
  313    HA   ALA  44           HA       ALA  44   4.970  -5.377   5.679
  314    HB1  ALA  44           HB1      ALA  44   6.354  -3.780   4.425
  315    HB2  ALA  44           HB2      ALA  44   6.566  -4.972   3.140
  316    HB3  ALA  44           HB3      ALA  44   7.239  -5.274   4.741
  317    H    LEU  45           HN       LEU  45   4.289  -6.095   2.306
  318    HA   LEU  45           HA       LEU  45   2.576  -3.931   1.825
  319    HB2  LEU  45           HB2      LEU  45   2.536  -6.692   0.604
  320    HB3  LEU  45           HB1      LEU  45   1.624  -5.327  -0.007
  321    HG   LEU  45           HG       LEU  45   4.627  -5.549   0.102
  322   HD11  LEU  45          HD11      LEU  45   4.473  -5.582  -2.334
  323   HD12  LEU  45          HD12      LEU  45   2.714  -5.581  -2.225
  324   HD13  LEU  45          HD13      LEU  45   3.636  -6.955  -1.613
  325   HD21  LEU  45          HD21      LEU  45   4.609  -3.428  -1.129
  326   HD22  LEU  45          HD22      LEU  45   3.886  -3.268   0.474
  327   HD23  LEU  45          HD23      LEU  45   2.855  -3.348  -0.949
  328    H    MET  46           HN       MET  46   2.007  -7.130   3.166
  329    HA   MET  46           HA       MET  46  -0.783  -7.079   3.495
  330    HB2  MET  46           HB2      MET  46   1.267  -8.257   5.387
  331    HB3  MET  46           HB1      MET  46  -0.444  -8.637   5.370
  332    HG2  MET  46           HG2      MET  46   1.509  -9.178   3.186
  333    HG3  MET  46           HG1      MET  46   0.927 -10.368   4.348
  334    HE1  MET  46           HE1      MET  46  -2.140  -9.420   4.599
  335    HE2  MET  46           HE2      MET  46  -1.649 -11.111   4.510
  336    HE3  MET  46           HE3      MET  46  -2.903 -10.501   3.431
  337    H    GLU  47           HN       GLU  47   1.822  -6.044   5.587
  338    HA   GLU  47           HA       GLU  47   0.431  -5.097   7.804
  339    HB2  GLU  47           HB2      GLU  47   2.963  -5.443   7.149
  340    HB3  GLU  47           HB1      GLU  47   2.887  -3.744   6.748
  341    HG2  GLU  47           HG2      GLU  47   2.357  -4.944   9.464
  342    HG3  GLU  47           HG1      GLU  47   3.828  -4.131   8.968
  343    H    THR  48           HN       THR  48   1.550  -3.381   4.884
  344    HA   THR  48           HA       THR  48   0.520  -0.843   5.302
  345    HB   THR  48           HB       THR  48   0.811  -2.375   2.698
  346    HG1  THR  48           HG1      THR  48   2.590  -1.331   4.479
  347   HG21  THR  48          HG21      THR  48   1.123  -0.161   1.676
  348   HG22  THR  48          HG22      THR  48   0.769   0.601   3.225
  349   HG23  THR  48          HG23      THR  48  -0.485  -0.321   2.388
  350    H    ALA  49           HN       ALA  49  -0.961  -3.547   3.437
  351    HA   ALA  49           HA       ALA  49  -3.335  -2.289   2.799
  352    HB1  ALA  49           HB1      ALA  49  -4.174  -4.524   2.307
  353    HB2  ALA  49           HB2      ALA  49  -2.823  -5.236   3.191
  354    HB3  ALA  49           HB3      ALA  49  -2.525  -4.328   1.709
  355    H    ALA  50           HN       ALA  50  -2.640  -4.567   5.451
  356    HA   ALA  50           HA       ALA  50  -5.180  -4.680   6.562
  357    HB1  ALA  50           HB1      ALA  50  -3.366  -6.229   7.128
  358    HB2  ALA  50           HB2      ALA  50  -4.123  -5.547   8.567
  359    HB3  ALA  50           HB3      ALA  50  -2.558  -4.941   8.022
  360    H    ARG  51           HN       ARG  51  -2.668  -2.352   7.018
  361    HA   ARG  51           HA       ARG  51  -3.617  -1.065   9.342
  362    HB2  ARG  51           HB2      ARG  51  -1.338  -0.941   8.171
  363    HB3  ARG  51           HB1      ARG  51  -2.085   0.209   7.084
  364    HG2  ARG  51           HG2      ARG  51  -2.455   1.747   8.892
  365    HG3  ARG  51           HG1      ARG  51  -1.864   0.558  10.063
  366    HD2  ARG  51           HD2      ARG  51   0.293   0.523   8.734
  367    HD3  ARG  51           HD1      ARG  51  -0.318   1.940   7.883
  368    HE   ARG  51           HE       ARG  51  -0.212   3.167   9.929
  369   HH11  ARG  51          HH11      ARG  51   1.472  -0.032   9.972
  370   HH12  ARG  51          HH12      ARG  51   2.363   0.387  11.365
  371   HH21  ARG  51          HH21      ARG  51   1.053   3.570  11.949
  372   HH22  ARG  51          HH22      ARG  51   2.134   2.361  12.450
  373    H    LEU  52           HN       LEU  52  -4.104  -0.545   5.903
  374    HA   LEU  52           HA       LEU  52  -5.885   1.664   6.357
  375    HB2  LEU  52           HB2      LEU  52  -5.078   0.254   3.825
  376    HB3  LEU  52           HB1      LEU  52  -6.095   1.685   3.887
  377    HG   LEU  52           HG       LEU  52  -3.231   1.534   4.833
  378   HD11  LEU  52          HD11      LEU  52  -3.412   1.454   2.407
  379   HD12  LEU  52          HD12      LEU  52  -2.749   2.995   2.949
  380   HD13  LEU  52          HD13      LEU  52  -4.432   2.891   2.434
  381   HD21  LEU  52          HD21      LEU  52  -4.559   3.084   6.147
  382   HD22  LEU  52          HD22      LEU  52  -5.132   3.863   4.674
  383   HD23  LEU  52          HD23      LEU  52  -3.428   3.952   5.112
  384    H    GLU  53           HN       GLU  53  -6.144  -1.724   5.478
  385    HA   GLU  53           HA       GLU  53  -8.805  -1.965   4.909
  386    HB2  GLU  53           HB2      GLU  53  -6.992  -3.801   6.461
  387    HB3  GLU  53           HB1      GLU  53  -8.632  -4.264   6.003
  388    HG2  GLU  53           HG2      GLU  53  -7.899  -3.970   3.613
  389    HG3  GLU  53           HG1      GLU  53  -6.285  -3.656   4.233
  390    H    SER  54           HN       SER  54  -7.311  -2.173   8.142
  391    HA   SER  54           HA       SER  54  -9.777  -2.301   9.513
  392    HB2  SER  54           HB2      SER  54  -7.053  -1.475  10.537
  393    HB3  SER  54           HB1      SER  54  -8.429  -1.962  11.530
  394    HG   SER  54           HG       SER  54  -8.123  -3.900   9.817
  395    H    ARG  55           HN       ARG  55  -7.724   0.361   8.518
  396    HA   ARG  55           HA       ARG  55  -8.927   2.345  10.146
  397    HB2  ARG  55           HB2      ARG  55  -6.663   2.562   9.233
  398    HB3  ARG  55           HB1      ARG  55  -7.322   2.641   7.609
  399    HG2  ARG  55           HG2      ARG  55  -8.433   4.736   8.153
  400    HG3  ARG  55           HG1      ARG  55  -7.794   4.651   9.798
  401    HD2  ARG  55           HD2      ARG  55  -5.519   4.710   8.914
  402    HD3  ARG  55           HD1      ARG  55  -6.160   4.786   7.273
  403    HE   ARG  55           HE       ARG  55  -6.954   6.856   9.152
  404   HH11  ARG  55          HH11      ARG  55  -4.983   5.931   6.355
  405   HH12  ARG  55          HH12      ARG  55  -4.705   7.513   5.847
  406   HH21  ARG  55          HH21      ARG  55  -6.447   9.080   8.511
  407   HH22  ARG  55          HH22      ARG  55  -5.428   9.340   7.171
  408    H    TYR  56           HN       TYR  56  -9.453   1.403   6.772
  409    HA   TYR  56           HA       TYR  56 -11.548   3.401   6.564
  410    HB2  TYR  56           HB2      TYR  56 -10.100   1.762   4.510
  411    HB3  TYR  56           HB1      TYR  56 -11.555   2.667   4.105
  412    HD1  TYR  56           HD1      TYR  56  -8.098   2.956   5.327
  413    HD2  TYR  56           HD2      TYR  56 -11.479   5.060   3.827
  414    HE1  TYR  56           HE1      TYR  56  -6.697   4.933   4.973
  415    HE2  TYR  56           HE2      TYR  56 -10.085   7.047   3.463
  416    HH   TYR  56           HH       TYR  56  -7.982   8.039   4.012
  417    H    GLY  57           HN       GLY  57 -11.332   0.090   7.178
  418    HA2  GLY  57           HA2      GLY  57 -13.093  -1.307   7.748
  419    HA3  GLY  57           HA1      GLY  57 -14.221  -0.088   7.165
  420    H    VAL  58           HN       VAL  58 -11.533  -1.742   5.621
  421    HA   VAL  58           HA       VAL  58 -13.386  -2.832   3.635
  422    HB   VAL  58           HB       VAL  58 -11.794  -2.402   1.795
  423   HG11  VAL  58          HG11      VAL  58 -12.449   0.086   3.324
  424   HG12  VAL  58          HG12      VAL  58 -13.526  -0.741   2.181
  425   HG13  VAL  58          HG13      VAL  58 -12.023   0.016   1.618
  426   HG21  VAL  58          HG21      VAL  58  -9.876  -0.912   2.096
  427   HG22  VAL  58          HG22      VAL  58  -9.715  -2.379   3.061
  428   HG23  VAL  58          HG23      VAL  58 -10.197  -0.855   3.830
  429    H    SER  59           HN       SER  59 -12.083  -4.525   2.206
  430    HA   SER  59           HA       SER  59 -10.110  -5.906   3.836
  431    HB2  SER  59           HB2      SER  59 -12.561  -7.194   2.608
  432    HB3  SER  59           HB1      SER  59 -11.233  -8.056   3.387
  433    HG   SER  59           HG       SER  59 -13.045  -6.212   4.587
  434    H    ILE  60           HN       ILE  60  -8.430  -6.446   2.686
  435    HA   ILE  60           HA       ILE  60  -8.672  -6.780  -0.215
  436    HB   ILE  60           HB       ILE  60  -6.462  -5.478   1.396
  437   HG12  ILE  60          HG12      ILE  60  -6.526  -3.861  -0.576
  438   HG13  ILE  60          HG11      ILE  60  -7.988  -4.684  -1.073
  439   HG21  ILE  60          HG21      ILE  60  -5.314  -7.147   0.100
  440   HG22  ILE  60          HG22      ILE  60  -4.984  -5.521  -0.516
  441   HG23  ILE  60          HG23      ILE  60  -6.112  -6.575  -1.372
  442   HD11  ILE  60          HD11      ILE  60  -9.055  -4.057   1.010
  443   HD12  ILE  60          HD12      ILE  60  -8.458  -2.642   0.125
  444   HD13  ILE  60          HD13      ILE  60  -7.563  -3.261   1.519
  445    HA   PRO  61           HA       PRO  61  -7.717 -11.009   0.800
  446    HB2  PRO  61           HB2      PRO  61  -6.885 -10.989  -2.058
  447    HB3  PRO  61           HB1      PRO  61  -7.949 -12.120  -1.222
  448    HG2  PRO  61           HG2      PRO  61  -8.978 -10.290  -2.815
  449    HG3  PRO  61           HG1      PRO  61  -9.749 -10.619  -1.250
  450    HD2  PRO  61           HD2      PRO  61  -7.981  -8.345  -2.053
  451    HD3  PRO  61           HD1      PRO  61  -9.447  -8.333  -1.046
  452    H    ASP  62           HN       ASP  62  -6.006 -12.176   1.260
  453    HA   ASP  62           HA       ASP  62  -3.588 -11.084   1.970
  454    HB2  ASP  62           HB2      ASP  62  -4.349 -13.927   1.425
  455    HB3  ASP  62           HB1      ASP  62  -2.718 -13.501   1.908
  456    H    ASP  63           HN       ASP  63  -3.994 -13.283  -0.791
  457    HA   ASP  63           HA       ASP  63  -1.260 -12.766  -1.506
  458    HB2  ASP  63           HB2      ASP  63  -1.389 -14.418  -3.185
  459    HB3  ASP  63           HB1      ASP  63  -2.417 -15.020  -1.897
  460    H    VAL  64           HN       VAL  64  -4.111 -11.220  -2.111
  461    HA   VAL  64           HA       VAL  64  -3.389 -10.163  -4.656
  462    HB   VAL  64           HB       VAL  64  -5.557  -9.282  -2.713
  463   HG11  VAL  64          HG11      VAL  64  -4.872  -7.439  -4.192
  464   HG12  VAL  64          HG12      VAL  64  -6.484  -8.031  -4.602
  465   HG13  VAL  64          HG13      VAL  64  -5.096  -8.488  -5.592
  466   HG21  VAL  64          HG21      VAL  64  -7.044 -10.389  -4.333
  467   HG22  VAL  64          HG22      VAL  64  -5.874 -11.502  -3.607
  468   HG23  VAL  64          HG23      VAL  64  -5.610 -10.894  -5.239
  469    H    ALA  65           HN       ALA  65  -3.318  -9.062  -1.286
  470    HA   ALA  65           HA       ALA  65  -2.295  -6.488  -1.711
  471    HB1  ALA  65           HB1      ALA  65  -3.166  -7.260   0.459
  472    HB2  ALA  65           HB2      ALA  65  -1.534  -6.601   0.612
  473    HB3  ALA  65           HB3      ALA  65  -1.782  -8.344   0.614
  474    H    GLY  66           HN       GLY  66  -0.733  -9.602  -1.421
  475    HA2  GLY  66           HA2      GLY  66   1.889  -8.374  -1.743
  476    HA3  GLY  66           HA1      GLY  66   1.576 -10.058  -1.360
  477    H    ARG  67           HN       ARG  67  -0.327  -8.975  -3.998
  478    HA   ARG  67           HA       ARG  67   1.507 -10.424  -5.800
  479    HB2  ARG  67           HB2      ARG  67  -0.329 -10.779  -7.353
  480    HB3  ARG  67           HB1      ARG  67  -0.922 -11.106  -5.746
  481    HG2  ARG  67           HG2      ARG  67  -2.103  -9.035  -5.683
  482    HG3  ARG  67           HG1      ARG  67  -1.351  -8.515  -7.188
  483    HD2  ARG  67           HD2      ARG  67  -3.654  -9.298  -7.527
  484    HD3  ARG  67           HD1      ARG  67  -2.477 -10.264  -8.408
  485    HE   ARG  67           HE       ARG  67  -2.795 -11.661  -6.133
  486   HH11  ARG  67          HH11      ARG  67  -5.254 -10.216  -8.233
  487   HH12  ARG  67          HH12      ARG  67  -6.315 -11.539  -8.157
  488   HH21  ARG  67          HH21      ARG  67  -4.332 -13.442  -5.906
  489   HH22  ARG  67          HH22      ARG  67  -5.833 -13.362  -6.719
  490    H    VAL  68           HN       VAL  68   0.478  -7.312  -5.060
  491    HA   VAL  68           HA       VAL  68   0.709  -6.194  -7.655
  492    HB   VAL  68           HB       VAL  68   0.587  -3.986  -6.529
  493   HG11  VAL  68          HG11      VAL  68  -1.399  -6.020  -5.509
  494   HG12  VAL  68          HG12      VAL  68  -1.467  -5.184  -7.061
  495   HG13  VAL  68          HG13      VAL  68  -1.656  -4.275  -5.563
  496   HG21  VAL  68          HG21      VAL  68   0.275  -3.877  -4.095
  497   HG22  VAL  68          HG22      VAL  68   1.866  -4.526  -4.508
  498   HG23  VAL  68          HG23      VAL  68   0.576  -5.613  -3.985
  499    H    ASP  69           HN       ASP  69   2.289  -4.626  -8.361
  500    HA   ASP  69           HA       ASP  69   4.969  -5.240  -7.297
  501    HB2  ASP  69           HB2      ASP  69   4.042  -4.755 -10.115
  502    HB3  ASP  69           HB1      ASP  69   5.723  -4.534  -9.653
  503    H    THR  70           HN       THR  70   2.942  -2.802  -8.690
  504    HA   THR  70           HA       THR  70   4.869  -0.779  -7.829
  505    HB   THR  70           HB       THR  70   3.616   0.744  -9.359
  506    HG1  THR  70           HG1      THR  70   2.181  -1.651  -9.925
  507   HG21  THR  70          HG21      THR  70   4.483  -1.861 -10.626
  508   HG22  THR  70          HG22      THR  70   5.537  -0.502 -10.242
  509   HG23  THR  70          HG23      THR  70   4.294  -0.329 -11.484
  510    HA   PRO  71           HA       PRO  71   2.224   0.547  -4.443
  511    HB2  PRO  71           HB2      PRO  71   3.029   3.274  -5.378
  512    HB3  PRO  71           HB1      PRO  71   3.067   2.594  -3.747
  513    HG2  PRO  71           HG2      PRO  71   5.312   2.821  -5.097
  514    HG3  PRO  71           HG1      PRO  71   4.981   1.339  -4.172
  515    HD2  PRO  71           HD2      PRO  71   4.778   1.812  -7.123
  516    HD3  PRO  71           HD1      PRO  71   5.405   0.400  -6.250
  517    H    ARG  72           HN       ARG  72   2.083   2.023  -7.614
  518    HA   ARG  72           HA       ARG  72  -0.404   3.299  -7.530
  519    HB2  ARG  72           HB2      ARG  72   1.058   3.414  -9.510
  520    HB3  ARG  72           HB1      ARG  72   0.731   1.721  -9.857
  521    HG2  ARG  72           HG2      ARG  72  -1.688   2.321 -10.063
  522    HG3  ARG  72           HG1      ARG  72  -1.213   4.012  -9.934
  523    HD2  ARG  72           HD2      ARG  72  -0.267   2.083 -12.041
  524    HD3  ARG  72           HD1      ARG  72  -1.556   3.259 -12.248
  525    HE   ARG  72           HE       ARG  72   1.231   4.042 -11.664
  526   HH11  ARG  72          HH11      ARG  72  -1.734   4.400 -13.601
  527   HH12  ARG  72          HH12      ARG  72  -1.133   5.649 -14.567
  528   HH21  ARG  72          HH21      ARG  72   2.118   5.705 -13.036
  529   HH22  ARG  72          HH22      ARG  72   1.161   6.361 -14.285
  530    H    GLU  73           HN       GLU  73   0.312  -0.108  -8.243
  531    HA   GLU  73           HA       GLU  73  -2.319  -0.972  -8.712
  532    HB2  GLU  73           HB2      GLU  73   0.093  -2.453  -7.685
  533    HB3  GLU  73           HB1      GLU  73  -1.418  -3.230  -8.128
  534    HG2  GLU  73           HG2      GLU  73  -1.154  -2.628 -10.393
  535    HG3  GLU  73           HG1      GLU  73   0.186  -1.547 -10.012
  536    H    LEU  74           HN       LEU  74  -0.365  -0.938  -5.779
  537    HA   LEU  74           HA       LEU  74  -2.250  -2.182  -4.080
  538    HB2  LEU  74           HB2      LEU  74   0.252  -1.814  -3.677
  539    HB3  LEU  74           HB1      LEU  74  -0.135  -0.167  -3.258
  540    HG   LEU  74           HG       LEU  74   0.321  -1.647  -1.312
  541   HD11  LEU  74          HD11      LEU  74  -0.993   0.341  -0.935
  542   HD12  LEU  74          HD12      LEU  74  -1.560  -0.979   0.090
  543   HD13  LEU  74          HD13      LEU  74  -2.469  -0.529  -1.354
  544   HD21  LEU  74          HD21      LEU  74  -0.620  -3.715  -2.152
  545   HD22  LEU  74          HD22      LEU  74  -2.239  -3.015  -2.117
  546   HD23  LEU  74          HD23      LEU  74  -1.365  -3.286  -0.611
  547    H    LEU  75           HN       LEU  75  -1.629   1.205  -4.860
  548    HA   LEU  75           HA       LEU  75  -3.527   2.395  -3.166
  549    HB2  LEU  75           HB2      LEU  75  -1.739   3.626  -4.352
  550    HB3  LEU  75           HB1      LEU  75  -2.538   3.301  -5.872
  551    HG   LEU  75           HG       LEU  75  -4.458   4.674  -5.145
  552   HD11  LEU  75          HD11      LEU  75  -4.272   4.353  -2.767
  553   HD12  LEU  75          HD12      LEU  75  -4.244   6.071  -3.155
  554   HD13  LEU  75          HD13      LEU  75  -2.745   5.234  -2.737
  555   HD21  LEU  75          HD21      LEU  75  -3.338   6.838  -5.298
  556   HD22  LEU  75          HD22      LEU  75  -2.658   5.685  -6.445
  557   HD23  LEU  75          HD23      LEU  75  -1.790   6.065  -4.959
  558    H    ASP  76           HN       ASP  76  -3.690   1.526  -6.587
  559    HA   ASP  76           HA       ASP  76  -6.347   2.163  -7.108
  560    HB2  ASP  76           HB2      ASP  76  -4.743   1.693  -8.881
  561    HB3  ASP  76           HB1      ASP  76  -4.612   0.021  -8.351
  562    H    LEU  77           HN       LEU  77  -4.928  -0.818  -5.935
  563    HA   LEU  77           HA       LEU  77  -7.153  -2.463  -5.893
  564    HB2  LEU  77           HB2      LEU  77  -4.904  -3.255  -5.534
  565    HB3  LEU  77           HB1      LEU  77  -4.774  -2.331  -4.057
  566    HG   LEU  77           HG       LEU  77  -6.405  -3.792  -2.986
  567   HD11  LEU  77          HD11      LEU  77  -7.177  -5.824  -4.114
  568   HD12  LEU  77          HD12      LEU  77  -6.395  -5.291  -5.605
  569   HD13  LEU  77          HD13      LEU  77  -7.746  -4.373  -4.942
  570   HD21  LEU  77          HD21      LEU  77  -5.005  -5.795  -2.920
  571   HD22  LEU  77          HD22      LEU  77  -4.036  -4.322  -2.870
  572   HD23  LEU  77          HD23      LEU  77  -4.159  -5.249  -4.367
  573    H    ILE  78           HN       ILE  78  -5.873  -0.471  -3.195
  574    HA   ILE  78           HA       ILE  78  -8.145  -1.077  -1.615
  575    HB   ILE  78           HB       ILE  78  -6.124   1.151  -1.189
  576   HG12  ILE  78          HG12      ILE  78  -6.386  -1.620   0.002
  577   HG13  ILE  78          HG11      ILE  78  -5.111  -1.041  -1.061
  578   HG21  ILE  78          HG21      ILE  78  -8.247   0.102   0.706
  579   HG22  ILE  78          HG22      ILE  78  -8.210   1.699  -0.055
  580   HG23  ILE  78          HG23      ILE  78  -6.982   1.264   1.122
  581   HD11  ILE  78          HD11      ILE  78  -4.354   0.487   0.676
  582   HD12  ILE  78          HD12      ILE  78  -4.371  -1.180   1.263
  583   HD13  ILE  78          HD13      ILE  78  -5.654  -0.059   1.730
  584    H    ASN  79           HN       ASN  79  -7.428   1.521  -3.844
  585    HA   ASN  79           HA       ASN  79  -9.706   3.088  -3.137
  586    HB2  ASN  79           HB2      ASN  79  -8.074   3.043  -5.687
  587    HB3  ASN  79           HB1      ASN  79  -9.505   4.043  -5.529
  588   HD21  ASN  79          HD21      ASN  79  -7.157   3.430  -2.981
  589   HD22  ASN  79          HD22      ASN  79  -6.535   5.044  -2.930
  590    H    GLY  80           HN       GLY  80  -9.260   0.299  -5.071
  591    HA2  GLY  80           HA2      GLY  80 -11.733   0.341  -6.453
  592    HA3  GLY  80           HA1      GLY  80 -10.761  -1.091  -6.122
  593    H    ALA  81           HN       ALA  81 -10.702  -1.079  -3.399
  594    HA   ALA  81           HA       ALA  81 -13.244  -2.124  -2.696
  595    HB1  ALA  81           HB1      ALA  81 -12.290  -2.369  -0.446
  596    HB2  ALA  81           HB2      ALA  81 -10.920  -1.364  -0.918
  597    HB3  ALA  81           HB3      ALA  81 -11.161  -2.935  -1.678
  598    H    LEU  82           HN       LEU  82 -11.558   0.874  -2.032
  599    HA   LEU  82           HA       LEU  82 -13.456   2.021  -0.304
  600    HB2  LEU  82           HB2      LEU  82 -11.329   3.255  -2.019
  601    HB3  LEU  82           HB1      LEU  82 -12.339   4.195  -0.941
  602    HG   LEU  82           HG       LEU  82 -10.451   1.993  -0.112
  603   HD11  LEU  82          HD11      LEU  82  -9.163   3.811   0.886
  604   HD12  LEU  82          HD12      LEU  82 -10.303   4.981   0.220
  605   HD13  LEU  82          HD13      LEU  82  -9.307   4.001  -0.862
  606   HD21  LEU  82          HD21      LEU  82 -12.414   2.137   1.327
  607   HD22  LEU  82          HD22      LEU  82 -12.145   3.868   1.526
  608   HD23  LEU  82          HD23      LEU  82 -10.972   2.717   2.158
  609    H    ALA  83           HN       ALA  83 -13.341   1.826  -3.752
  610    HA   ALA  83           HA       ALA  83 -15.192   3.853  -4.345
  611    HB1  ALA  83           HB1      ALA  83 -13.813   2.771  -6.061
  612    HB2  ALA  83           HB2      ALA  83 -15.528   2.664  -6.466
  613    HB3  ALA  83           HB3      ALA  83 -14.686   1.259  -5.807
  614    H    GLU  84           HN       GLU  84 -15.514   0.600  -3.175
  615    HA   GLU  84           HA       GLU  84 -18.414   0.815  -3.316
  616    HB2  GLU  84           HB2      GLU  84 -16.639  -1.583  -2.849
  617    HB3  GLU  84           HB1      GLU  84 -18.403  -1.628  -2.859
  618    HG2  GLU  84           HG2      GLU  84 -18.365  -0.754  -5.171
  619    HG3  GLU  84           HG1      GLU  84 -16.610  -0.866  -5.147
  620    H    ALA  85           HN       ALA  85 -16.329   1.954  -1.412
  621    HA   ALA  85           HA       ALA  85 -17.578   1.116   1.095
  622    HB1  ALA  85           HB1      ALA  85 -15.185   2.912   0.612
  623    HB2  ALA  85           HB2      ALA  85 -15.115   1.220   1.107
  624    HB3  ALA  85           HB3      ALA  85 -15.805   2.430   2.194
  625    H    ALA  86           HN       ALA  86 -18.325   2.907  -1.305
  626    HA   ALA  86           HA       ALA  86 -18.972   5.433  -0.125
  627    HB1  ALA  86           HB1      ALA  86 -18.477   5.253  -2.522
  628    HB2  ALA  86           HB2      ALA  86 -20.120   5.840  -2.266
  629    HB3  ALA  86           HB3      ALA  86 -19.846   4.159  -2.729
  630    H28  SXD  87          H28B      SXD  87   2.820 -11.573   0.472
  631   H28A  SXD  87          H28A      SXD  87   2.869 -12.490   1.977
  632    H30  SXD  87          H30A      SXD  87   0.428 -11.840   0.368
  633   H30A  SXD  87          H30C      SXD  87  -0.317 -13.435   0.481
  634   H30B  SXD  87          H30B      SXD  87   0.491 -12.742   1.884
  635    H31  SXD  87          H31A      SXD  87   1.071 -14.171  -1.512
  636   H31A  SXD  87          H31C      SXD  87   1.739 -12.538  -1.552
  637   H31B  SXD  87          H31B      SXD  87   2.819 -13.932  -1.463
  638    H32  SXD  87          H32A      SXD  87   1.889 -14.912   2.072
  639   HO33  SXD  87          H33A      SXD  87   2.900 -16.342   0.093
  640   HN36  SXD  87          H36A      SXD  87  -0.552 -15.085   1.652
  641    H37  SXD  87          H37B      SXD  87  -1.183 -17.627   0.407
  642   H37A  SXD  87          H37A      SXD  87  -1.899 -16.232  -0.400
  643    H38  SXD  87          H38A      SXD  87  -3.011 -15.583   1.703
  644   H38A  SXD  87          H38B      SXD  87  -3.523 -17.122   1.065
  645   HN41  SXD  87          H41A      SXD  87  -0.518 -17.548   2.378
  646    H42  SXD  87          H42B      SXD  87  -0.654 -19.408   4.115
  647   H42A  SXD  87          H42A      SXD  87  -1.436 -18.165   5.088
  648    H43  SXD  87          H43B      SXD  87   1.348 -18.009   3.947
  649   H43A  SXD  87          H43A      SXD  87   0.566 -16.784   4.948
  650    H1   SXD  87           H1A      SXD  87   2.186 -20.413   4.877
  651    H1A  SXD  87           H1B      SXD  87   0.453 -20.670   5.158
  652    H2   SXD  87           H2A      SXD  87   0.973 -21.393   7.401
  653    H2A  SXD  87           H2B      SXD  87   2.681 -21.003   7.184
  654    H4   SXD  87           H4B      SXD  87   3.005 -23.511   4.416
  655    H4A  SXD  87           H4A      SXD  87   3.655 -22.009   5.080
  656    H6   SXD  87           H6C      SXD  87   4.944 -25.803   5.800
  657    H6A  SXD  87           H6A      SXD  87   3.210 -25.515   5.988
  658    H6B  SXD  87           H6B      SXD  87   4.284 -25.374   7.386
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -17.503   8.677  -2.730
    2    H2   MET   1           HT2      MET   1 -17.387  10.186  -2.002
    3    H3   MET   1           HT3      MET   1 -18.586   9.909  -3.152
    4    HA   MET   1           HA       MET   1 -19.469   9.992  -0.942
    5    HB2  MET   1           HB2      MET   1 -20.707   7.866  -0.974
    6    HB3  MET   1           HB1      MET   1 -20.630   8.631  -2.552
    7    HG2  MET   1           HG2      MET   1 -18.818   7.090  -3.170
    8    HG3  MET   1           HG1      MET   1 -19.003   6.293  -1.607
    9    HE1  MET   1           HE1      MET   1 -20.491   3.784  -4.243
   10    HE2  MET   1           HE2      MET   1 -19.240   4.044  -3.025
   11    HE3  MET   1           HE3      MET   1 -19.189   4.936  -4.545
   12    H    ALA   2           HN       ALA   2 -16.442   8.751  -0.946
   13    HA   ALA   2           HA       ALA   2 -16.554   8.222   1.857
   14    HB1  ALA   2           HB1      ALA   2 -15.578   6.138  -0.112
   15    HB2  ALA   2           HB2      ALA   2 -16.988   5.987   0.935
   16    HB3  ALA   2           HB3      ALA   2 -15.373   6.068   1.637
   17    H    THR   3           HN       THR   3 -14.447   8.420   2.728
   18    HA   THR   3           HA       THR   3 -12.718  10.136   1.288
   19    HB   THR   3           HB       THR   3 -12.940  10.360   3.693
   20    HG1  THR   3           HG1      THR   3 -11.018  11.032   3.684
   21   HG21  THR   3          HG21      THR   3 -13.437   8.061   4.343
   22   HG22  THR   3          HG22      THR   3 -12.093   8.677   5.304
   23   HG23  THR   3          HG23      THR   3 -11.787   7.574   3.958
   24    H    LEU   4           HN       LEU   4 -11.588   9.382  -0.380
   25    HA   LEU   4           HA       LEU   4 -10.751   6.638  -0.484
   26    HB2  LEU   4           HB2      LEU   4 -10.238   8.890  -2.420
   27    HB3  LEU   4           HB1      LEU   4  -9.733   7.235  -2.664
   28    HG   LEU   4           HG       LEU   4 -12.575   8.233  -2.536
   29   HD11  LEU   4          HD11      LEU   4 -12.616   7.559  -4.894
   30   HD12  LEU   4          HD12      LEU   4 -10.906   7.133  -4.792
   31   HD13  LEU   4          HD13      LEU   4 -11.411   8.810  -4.589
   32   HD21  LEU   4          HD21      LEU   4 -12.396   5.992  -1.564
   33   HD22  LEU   4          HD22      LEU   4 -11.518   5.435  -2.988
   34   HD23  LEU   4          HD23      LEU   4 -13.202   5.934  -3.132
   35    H    LEU   5           HN       LEU   5  -8.641   5.971  -0.819
   36    HA   LEU   5           HA       LEU   5  -6.771   7.143   0.993
   37    HB2  LEU   5           HB2      LEU   5  -7.032   4.704   0.647
   38    HB3  LEU   5           HB1      LEU   5  -6.467   4.898  -0.997
   39    HG   LEU   5           HG       LEU   5  -4.290   5.676  -0.114
   40   HD11  LEU   5          HD11      LEU   5  -5.019   6.511   2.029
   41   HD12  LEU   5          HD12      LEU   5  -3.803   5.246   2.271
   42   HD13  LEU   5          HD13      LEU   5  -5.525   4.895   2.500
   43   HD21  LEU   5          HD21      LEU   5  -3.543   3.466   0.614
   44   HD22  LEU   5          HD22      LEU   5  -4.630   3.364  -0.774
   45   HD23  LEU   5          HD23      LEU   5  -5.222   2.983   0.843
   46    H    THR   6           HN       THR   6  -5.320   8.668   0.448
   47    HA   THR   6           HA       THR   6  -5.112   9.412  -2.323
   48    HB   THR   6           HB       THR   6  -3.900  11.390  -1.374
   49    HG1  THR   6           HG1      THR   6  -4.435  11.449   1.080
   50   HG21  THR   6          HG21      THR   6  -5.899  12.402  -0.338
   51   HG22  THR   6          HG22      THR   6  -6.615  10.803  -0.162
   52   HG23  THR   6          HG23      THR   6  -6.331  11.470  -1.772
   53    H    THR   7           HN       THR   7  -2.709  10.455  -2.625
   54    HA   THR   7           HA       THR   7  -0.920   8.312  -2.954
   55    HB   THR   7           HB       THR   7  -0.464  11.298  -2.984
   56    HG1  THR   7           HG1      THR   7  -1.204   9.648  -5.178
   57   HG21  THR   7          HG21      THR   7   1.255  10.721  -4.666
   58   HG22  THR   7          HG22      THR   7   0.896   9.007  -4.382
   59   HG23  THR   7          HG23      THR   7   1.576   9.990  -3.090
   60    H    ASP   8           HN       ASP   8  -0.976  11.215  -0.944
   61    HA   ASP   8           HA       ASP   8   1.381  10.688   0.479
   62    HB2  ASP   8           HB2      ASP   8   0.640  12.926   0.247
   63    HB3  ASP   8           HB1      ASP   8  -0.925  12.561   0.947
   64    H    ASP   9           HN       ASP   9  -2.024  10.027   1.241
   65    HA   ASP   9           HA       ASP   9  -1.315   9.028   3.802
   66    HB2  ASP   9           HB2      ASP   9  -3.876   9.102   2.312
   67    HB3  ASP   9           HB1      ASP   9  -3.728   7.905   3.598
   68    H    LEU  10           HN       LEU  10  -1.429   7.556   0.703
   69    HA   LEU  10           HA       LEU  10  -1.228   4.880   1.645
   70    HB2  LEU  10           HB2      LEU  10  -1.780   5.375  -0.696
   71    HB3  LEU  10           HB1      LEU  10  -0.219   6.138  -0.916
   72    HG   LEU  10           HG       LEU  10   0.872   3.947  -0.513
   73   HD11  LEU  10          HD11      LEU  10  -1.941   2.884  -0.572
   74   HD12  LEU  10          HD12      LEU  10  -0.845   2.877   0.807
   75   HD13  LEU  10          HD13      LEU  10  -0.470   1.914  -0.621
   76   HD21  LEU  10          HD21      LEU  10   0.474   4.729  -2.777
   77   HD22  LEU  10          HD22      LEU  10  -1.137   4.013  -2.758
   78   HD23  LEU  10          HD23      LEU  10   0.290   2.979  -2.685
   79    H    ARG  11           HN       ARG  11   1.065   7.399   0.792
   80    HA   ARG  11           HA       ARG  11   3.442   5.996   1.209
   81    HB2  ARG  11           HB2      ARG  11   3.429   8.160   0.103
   82    HB3  ARG  11           HB1      ARG  11   2.889   8.945   1.580
   83    HG2  ARG  11           HG2      ARG  11   5.002   8.407   2.662
   84    HG3  ARG  11           HG1      ARG  11   5.537   7.548   1.217
   85    HD2  ARG  11           HD2      ARG  11   6.491   9.800   1.355
   86    HD3  ARG  11           HD1      ARG  11   5.465   9.602  -0.063
   87    HE   ARG  11           HE       ARG  11   4.043  10.646   2.159
   88   HH11  ARG  11          HH11      ARG  11   6.320  11.583  -0.342
   89   HH12  ARG  11          HH12      ARG  11   5.802  13.212  -0.464
   90   HH21  ARG  11          HH21      ARG  11   3.228  12.834   1.966
   91   HH22  ARG  11          HH22      ARG  11   3.943  13.955   0.917
   92    H    ARG  12           HN       ARG  12   1.394   7.726   3.459
   93    HA   ARG  12           HA       ARG  12   2.950   7.677   5.759
   94    HB2  ARG  12           HB2      ARG  12  -0.030   7.332   5.536
   95    HB3  ARG  12           HB1      ARG  12   0.812   7.616   7.041
   96    HG2  ARG  12           HG2      ARG  12   1.596   9.777   6.189
   97    HG3  ARG  12           HG1      ARG  12   0.714   9.484   4.684
   98    HD2  ARG  12           HD2      ARG  12  -0.555  10.908   6.216
   99    HD3  ARG  12           HD1      ARG  12  -1.379   9.377   5.909
  100    HE   ARG  12           HE       ARG  12   0.321   9.535   8.265
  101   HH11  ARG  12          HH11      ARG  12  -3.028   9.661   7.033
  102   HH12  ARG  12          HH12      ARG  12  -3.683   9.218   8.555
  103   HH21  ARG  12          HH21      ARG  12  -0.576   8.969  10.195
  104   HH22  ARG  12          HH22      ARG  12  -2.270   8.811  10.435
  105    H    ALA  13           HN       ALA  13   1.154   5.059   4.299
  106    HA   ALA  13           HA       ALA  13   1.446   3.321   6.565
  107    HB1  ALA  13           HB1      ALA  13   0.477   1.611   5.105
  108    HB2  ALA  13           HB2      ALA  13   0.628   2.701   3.727
  109    HB3  ALA  13           HB3      ALA  13  -0.465   3.101   5.051
  110    H    LEU  14           HN       LEU  14   2.987   3.667   3.364
  111    HA   LEU  14           HA       LEU  14   4.837   1.628   3.666
  112    HB2  LEU  14           HB2      LEU  14   4.820   4.124   2.000
  113    HB3  LEU  14           HB1      LEU  14   6.238   3.102   2.039
  114    HG   LEU  14           HG       LEU  14   4.790   1.210   1.290
  115   HD11  LEU  14          HD11      LEU  14   2.736   3.313   0.725
  116   HD12  LEU  14          HD12      LEU  14   2.622   1.986   1.884
  117   HD13  LEU  14          HD13      LEU  14   2.707   1.638   0.160
  118   HD21  LEU  14          HD21      LEU  14   4.769   1.896  -1.071
  119   HD22  LEU  14          HD22      LEU  14   6.270   2.330  -0.251
  120   HD23  LEU  14          HD23      LEU  14   5.047   3.562  -0.564
  121    H    VAL  15           HN       VAL  15   4.916   4.913   4.816
  122    HA   VAL  15           HA       VAL  15   7.549   5.208   5.659
  123    HB   VAL  15           HB       VAL  15   4.977   6.162   6.969
  124   HG11  VAL  15          HG11      VAL  15   6.727   6.123   8.682
  125   HG12  VAL  15          HG12      VAL  15   6.331   7.781   8.233
  126   HG13  VAL  15          HG13      VAL  15   7.803   7.028   7.619
  127   HG21  VAL  15          HG21      VAL  15   5.411   7.057   4.760
  128   HG22  VAL  15          HG22      VAL  15   7.022   7.568   5.267
  129   HG23  VAL  15          HG23      VAL  15   5.595   8.313   5.983
  130    H    GLU  16           HN       GLU  16   4.910   3.559   7.228
  131    HA   GLU  16           HA       GLU  16   6.291   2.995   9.667
  132    HB2  GLU  16           HB2      GLU  16   3.732   1.876   8.549
  133    HB3  GLU  16           HB1      GLU  16   4.281   1.749  10.214
  134    HG2  GLU  16           HG2      GLU  16   3.754   4.352   8.824
  135    HG3  GLU  16           HG1      GLU  16   2.560   3.494   9.791
  136    H    SER  17           HN       SER  17   5.189   1.056   6.892
  137    HA   SER  17           HA       SER  17   6.178  -1.370   7.951
  138    HB2  SER  17           HB2      SER  17   5.442  -0.761   5.096
  139    HB3  SER  17           HB1      SER  17   5.481  -2.342   5.877
  140    HG   SER  17           HG       SER  17   3.446  -0.860   5.667
  141    H    ALA  18           HN       ALA  18   7.573   1.021   5.729
  142    HA   ALA  18           HA       ALA  18   9.765  -0.612   4.955
  143    HB1  ALA  18           HB1      ALA  18  10.810   1.461   4.159
  144    HB2  ALA  18           HB2      ALA  18   9.583   2.408   5.000
  145    HB3  ALA  18           HB3      ALA  18   9.124   1.369   3.650
  146    H    GLY  19           HN       GLY  19   9.156   1.606   7.589
  147    HA2  GLY  19           HA2      GLY  19  10.552   0.510   9.526
  148    HA3  GLY  19           HA1      GLY  19  11.846   1.250   8.594
  149    H    GLU  20           HN       GLU  20  11.862   3.473   8.342
  150    HA   GLU  20           HA       GLU  20  10.232   5.058  10.214
  151    HB2  GLU  20           HB2      GLU  20  13.249   4.896  10.248
  152    HB3  GLU  20           HB1      GLU  20  12.345   6.192  11.002
  153    HG2  GLU  20           HG2      GLU  20  11.345   4.656  12.549
  154    HG3  GLU  20           HG1      GLU  20  12.083   3.284  11.717
  155    H    THR  21           HN       THR  21   9.695   5.280   7.712
  156    HA   THR  21           HA       THR  21   9.883   6.282   5.705
  157    HB   THR  21           HB       THR  21   8.677   8.051   6.924
  158    HG1  THR  21           HG1      THR  21  10.498   9.527   5.400
  159   HG21  THR  21          HG21      THR  21  11.358   9.321   7.535
  160   HG22  THR  21          HG22      THR  21  10.279   8.573   8.711
  161   HG23  THR  21          HG23      THR  21   9.784  10.042   7.870
  162    H    ASP  22           HN       ASP  22  11.868   4.956   5.863
  163    HA   ASP  22           HA       ASP  22  14.433   5.711   6.093
  164    HB2  ASP  22           HB2      ASP  22  13.226   3.698   4.217
  165    HB3  ASP  22           HB1      ASP  22  14.943   3.809   4.595
  166    H    GLY  23           HN       GLY  23  12.427   6.484   3.386
  167    HA2  GLY  23           HA2      GLY  23  12.973   8.279   1.945
  168    HA3  GLY  23           HA1      GLY  23  14.661   8.076   2.392
  169    H    THR  24           HN       THR  24  12.461   5.528   1.281
  170    HA   THR  24           HA       THR  24  14.239   4.811  -0.822
  171    HB   THR  24           HB       THR  24  12.208   3.197  -1.217
  172    HG1  THR  24           HG1      THR  24  10.905   3.019   0.629
  173   HG21  THR  24          HG21      THR  24  13.797   3.122   1.365
  174   HG22  THR  24          HG22      THR  24  14.344   2.504  -0.195
  175   HG23  THR  24          HG23      THR  24  12.977   1.747   0.625
  176    H    ASP  25           HN       ASP  25  13.410   7.364  -1.105
  177    HA   ASP  25           HA       ASP  25  12.320   8.955  -2.149
  178    HB2  ASP  25           HB2      ASP  25  13.960   8.219  -3.825
  179    HB3  ASP  25           HB1      ASP  25  12.723   7.209  -4.577
  180    H    LEU  26           HN       LEU  26  10.516   8.575  -0.970
  181    HA   LEU  26           HA       LEU  26   8.216   7.569  -2.488
  182    HB2  LEU  26           HB2      LEU  26   8.472   8.213   0.447
  183    HB3  LEU  26           HB1      LEU  26   7.061   7.540  -0.333
  184    HG   LEU  26           HG       LEU  26   9.728   6.152  -0.082
  185   HD11  LEU  26          HD11      LEU  26   7.127   5.716   1.368
  186   HD12  LEU  26          HD12      LEU  26   8.601   6.407   2.045
  187   HD13  LEU  26          HD13      LEU  26   8.578   4.718   1.521
  188   HD21  LEU  26          HD21      LEU  26   8.521   4.179  -0.893
  189   HD22  LEU  26          HD22      LEU  26   8.505   5.473  -2.089
  190   HD23  LEU  26          HD23      LEU  26   7.068   5.155  -1.116
  191    H    SER  27           HN       SER  27   9.798  10.376  -1.541
  192    HA   SER  27           HA       SER  27   7.409  11.949  -1.443
  193    HB2  SER  27           HB2      SER  27  10.256  12.707  -1.259
  194    HB3  SER  27           HB1      SER  27   8.924  13.849  -1.006
  195    HG   SER  27           HG       SER  27  10.033  12.327   0.814
  196    H    GLY  28           HN       GLY  28   6.656  11.428  -3.470
  197    HA2  GLY  28           HA2      GLY  28   6.747  13.275  -5.427
  198    HA3  GLY  28           HA1      GLY  28   8.013  12.118  -5.869
  199    H    ASP  29           HN       ASP  29   6.960  11.091  -7.574
  200    HA   ASP  29           HA       ASP  29   4.412   9.841  -6.839
  201    HB2  ASP  29           HB2      ASP  29   4.462  11.085  -9.039
  202    HB3  ASP  29           HB1      ASP  29   5.644   9.911  -9.610
  203    H    PHE  30           HN       PHE  30   5.014   8.229  -5.657
  204    HA   PHE  30           HA       PHE  30   7.203   6.488  -6.468
  205    HB2  PHE  30           HB2      PHE  30   6.995   5.529  -4.221
  206    HB3  PHE  30           HB1      PHE  30   7.119   7.281  -4.148
  207    HD1  PHE  30           HD2      PHE  30   5.066   8.630  -3.636
  208    HD2  PHE  30           HD1      PHE  30   5.106   4.384  -3.356
  209    HE1  PHE  30           HE2      PHE  30   3.025   8.702  -2.277
  210    HE2  PHE  30           HE1      PHE  30   3.061   4.452  -1.992
  211    HZ   PHE  30           HZ       PHE  30   2.019   6.610  -1.452
  212    H    LEU  31           HN       LEU  31   4.382   6.589  -7.678
  213    HA   LEU  31           HA       LEU  31   3.246   4.137  -6.741
  214    HB2  LEU  31           HB2      LEU  31   2.290   6.089  -8.780
  215    HB3  LEU  31           HB1      LEU  31   1.462   4.591  -8.421
  216    HG   LEU  31           HG       LEU  31   0.339   6.284  -7.279
  217   HD11  LEU  31          HD11      LEU  31   0.528   4.277  -6.015
  218   HD12  LEU  31          HD12      LEU  31   0.551   5.667  -4.930
  219   HD13  LEU  31          HD13      LEU  31   2.051   4.820  -5.311
  220   HD21  LEU  31          HD21      LEU  31   2.017   8.039  -7.295
  221   HD22  LEU  31          HD22      LEU  31   2.961   7.165  -6.085
  222   HD23  LEU  31          HD23      LEU  31   1.370   7.809  -5.671
  223    H    ASP  32           HN       ASP  32   4.852   5.188  -9.685
  224    HA   ASP  32           HA       ASP  32   4.405   2.517 -10.791
  225    HB2  ASP  32           HB2      ASP  32   5.513   5.020 -12.073
  226    HB3  ASP  32           HB1      ASP  32   5.561   3.453 -12.872
  227    H    LEU  33           HN       LEU  33   6.008   2.724  -8.581
  228    HA   LEU  33           HA       LEU  33   8.735   2.093  -9.497
  229    HB2  LEU  33           HB2      LEU  33   7.515   2.364  -6.790
  230    HB3  LEU  33           HB1      LEU  33   9.221   2.042  -7.069
  231    HG   LEU  33           HG       LEU  33   7.688   4.561  -7.656
  232   HD11  LEU  33          HD11      LEU  33   9.985   3.948  -5.796
  233   HD12  LEU  33          HD12      LEU  33   8.309   4.230  -5.330
  234   HD13  LEU  33          HD13      LEU  33   9.257   5.537  -6.036
  235   HD21  LEU  33          HD21      LEU  33   9.293   4.159  -9.462
  236   HD22  LEU  33          HD22      LEU  33  10.577   3.923  -8.278
  237   HD23  LEU  33          HD23      LEU  33   9.818   5.505  -8.449
  238    H    ARG  34           HN       ARG  34   9.641   0.107  -8.380
  239    HA   ARG  34           HA       ARG  34   7.490  -1.803  -7.899
  240    HB2  ARG  34           HB2      ARG  34  10.197  -2.317  -9.060
  241    HB3  ARG  34           HB1      ARG  34   9.260  -3.606  -8.321
  242    HG2  ARG  34           HG2      ARG  34   7.392  -2.800  -9.903
  243    HG3  ARG  34           HG1      ARG  34   8.723  -2.070 -10.808
  244    HD2  ARG  34           HD2      ARG  34   8.213  -4.316 -11.653
  245    HD3  ARG  34           HD1      ARG  34   9.827  -4.260 -10.940
  246    HE   ARG  34           HE       ARG  34   8.994  -5.375  -9.012
  247   HH11  ARG  34          HH11      ARG  34   6.833  -5.473 -11.826
  248   HH12  ARG  34          HH12      ARG  34   5.816  -6.685 -11.193
  249   HH21  ARG  34          HH21      ARG  34   7.694  -7.098  -8.190
  250   HH22  ARG  34          HH22      ARG  34   6.312  -7.659  -9.038
  251    H    PHE  35           HN       PHE  35   7.707  -3.345  -6.307
  252    HA   PHE  35           HA       PHE  35   8.591  -2.094  -3.948
  253    HB2  PHE  35           HB2      PHE  35   7.388  -4.809  -4.396
  254    HB3  PHE  35           HB1      PHE  35   7.794  -4.171  -2.802
  255    HD1  PHE  35           HD1      PHE  35   6.788  -1.838  -2.238
  256    HD2  PHE  35           HD2      PHE  35   5.306  -4.413  -5.268
  257    HE1  PHE  35           HE1      PHE  35   4.616  -0.700  -2.145
  258    HE2  PHE  35           HE2      PHE  35   3.132  -3.276  -5.184
  259    HZ   PHE  35           HZ       PHE  35   2.827  -1.337  -3.624
  260    H    GLU  36           HN       GLU  36  10.107  -4.461  -5.989
  261    HA   GLU  36           HA       GLU  36  11.825  -5.587  -4.075
  262    HB2  GLU  36           HB2      GLU  36  12.350  -5.159  -7.027
  263    HB3  GLU  36           HB1      GLU  36  13.272  -6.206  -5.970
  264    HG2  GLU  36           HG2      GLU  36  11.865  -7.597  -7.251
  265    HG3  GLU  36           HG1      GLU  36  11.159  -7.540  -5.638
  266    H    ASP  37           HN       ASP  37  12.068  -2.734  -6.093
  267    HA   ASP  37           HA       ASP  37  14.791  -2.200  -5.434
  268    HB2  ASP  37           HB2      ASP  37  13.787  -1.391  -7.533
  269    HB3  ASP  37           HB1      ASP  37  12.746  -0.313  -6.607
  270    H    ILE  38           HN       ILE  38  11.769  -1.346  -3.992
  271    HA   ILE  38           HA       ILE  38  13.162   0.580  -2.303
  272    HB   ILE  38           HB       ILE  38  10.958   1.298  -1.444
  273   HG12  ILE  38          HG12      ILE  38   9.831  -0.630  -3.503
  274   HG13  ILE  38          HG11      ILE  38   9.744  -0.815  -1.754
  275   HG21  ILE  38          HG21      ILE  38  11.240   1.327  -4.440
  276   HG22  ILE  38          HG22      ILE  38  11.960   2.463  -3.298
  277   HG23  ILE  38          HG23      ILE  38  10.205   2.408  -3.499
  278   HD11  ILE  38          HD11      ILE  38   8.347   1.179  -1.605
  279   HD12  ILE  38          HD12      ILE  38   7.638  -0.025  -2.683
  280   HD13  ILE  38          HD13      ILE  38   8.452   1.386  -3.355
  281    H    GLY  39           HN       GLY  39  13.206  -2.441  -2.139
  282    HA2  GLY  39           HA2      GLY  39  13.518  -3.999  -0.457
  283    HA3  GLY  39           HA1      GLY  39  13.658  -2.630   0.634
  284    H    TYR  40           HN       TYR  40  10.943  -3.813  -1.287
  285    HA   TYR  40           HA       TYR  40   9.358  -4.041   1.187
  286    HB2  TYR  40           HB2      TYR  40   9.093  -2.275  -0.969
  287    HB3  TYR  40           HB1      TYR  40   7.872  -3.503  -1.225
  288    HD1  TYR  40           HD1      TYR  40   9.072  -0.915   1.102
  289    HD2  TYR  40           HD2      TYR  40   5.914  -3.567   0.092
  290    HE1  TYR  40           HE1      TYR  40   7.624   0.199   2.738
  291    HE2  TYR  40           HE2      TYR  40   4.451  -2.464   1.720
  292    HH   TYR  40           HH       TYR  40   5.429   0.475   3.380
  293    H    ASP  41           HN       ASP  41   8.010  -5.905   1.209
  294    HA   ASP  41           HA       ASP  41   7.905  -7.485  -1.222
  295    HB2  ASP  41           HB2      ASP  41   9.826  -8.288   0.288
  296    HB3  ASP  41           HB1      ASP  41   8.590  -8.776   1.441
  297    H    SER  42           HN       SER  42   6.480  -9.670  -0.073
  298    HA   SER  42           HA       SER  42   3.962  -8.407  -0.186
  299    HB2  SER  42           HB2      SER  42   3.134 -10.809   0.118
  300    HB3  SER  42           HB1      SER  42   4.101 -10.448  -1.318
  301    H    LEU  43           HN       LEU  43   5.763  -9.898   2.491
  302    HA   LEU  43           HA       LEU  43   3.607  -9.748   4.298
  303    HB2  LEU  43           HB2      LEU  43   5.594 -11.055   4.848
  304    HB3  LEU  43           HB1      LEU  43   6.559  -9.588   4.917
  305    HG   LEU  43           HG       LEU  43   5.181  -8.799   6.804
  306   HD11  LEU  43          HD11      LEU  43   3.140  -9.972   6.314
  307   HD12  LEU  43          HD12      LEU  43   3.688 -10.365   7.946
  308   HD13  LEU  43          HD13      LEU  43   3.917 -11.518   6.630
  309   HD21  LEU  43          HD21      LEU  43   6.072 -10.325   8.481
  310   HD22  LEU  43          HD22      LEU  43   7.271  -9.950   7.243
  311   HD23  LEU  43          HD23      LEU  43   6.437 -11.508   7.222
  312    H    ALA  44           HN       ALA  44   6.213  -7.486   3.604
  313    HA   ALA  44           HA       ALA  44   5.443  -5.437   5.318
  314    HB1  ALA  44           HB1      ALA  44   7.571  -5.447   4.090
  315    HB2  ALA  44           HB2      ALA  44   6.697  -3.934   3.857
  316    HB3  ALA  44           HB3      ALA  44   6.699  -5.155   2.583
  317    H    LEU  45           HN       LEU  45   4.274  -6.279   2.131
  318    HA   LEU  45           HA       LEU  45   2.577  -4.048   1.860
  319    HB2  LEU  45           HB2      LEU  45   2.652  -6.708   0.493
  320    HB3  LEU  45           HB1      LEU  45   1.400  -5.530   0.138
  321    HG   LEU  45           HG       LEU  45   4.356  -4.990  -0.143
  322   HD11  LEU  45          HD11      LEU  45   2.284  -5.603  -2.232
  323   HD12  LEU  45          HD12      LEU  45   3.623  -6.663  -1.765
  324   HD13  LEU  45          HD13      LEU  45   3.946  -5.100  -2.534
  325   HD21  LEU  45          HD21      LEU  45   3.011  -3.025   0.320
  326   HD22  LEU  45          HD22      LEU  45   1.915  -3.452  -0.995
  327   HD23  LEU  45          HD23      LEU  45   3.586  -3.013  -1.348
  328    H    MET  46           HN       MET  46   2.045  -7.233   3.246
  329    HA   MET  46           HA       MET  46  -0.739  -6.948   3.744
  330    HB2  MET  46           HB2      MET  46   1.289  -8.422   5.444
  331    HB3  MET  46           HB1      MET  46  -0.450  -8.658   5.472
  332    HG2  MET  46           HG2      MET  46   1.400  -9.233   3.201
  333    HG3  MET  46           HG1      MET  46   0.627 -10.399   4.272
  334    HE1  MET  46           HE1      MET  46   0.619  -9.996   0.969
  335    HE2  MET  46           HE2      MET  46  -0.997 -10.613   0.626
  336    HE3  MET  46           HE3      MET  46   0.040 -11.448   1.783
  337    H    GLU  47           HN       GLU  47   2.103  -6.303   5.621
  338    HA   GLU  47           HA       GLU  47   1.026  -5.307   7.968
  339    HB2  GLU  47           HB2      GLU  47   3.315  -6.050   7.484
  340    HB3  GLU  47           HB1      GLU  47   3.575  -4.617   6.533
  341    HG2  GLU  47           HG2      GLU  47   3.451  -3.174   8.428
  342    HG3  GLU  47           HG1      GLU  47   2.899  -4.503   9.453
  343    H    THR  48           HN       THR  48   1.576  -3.809   4.916
  344    HA   THR  48           HA       THR  48   1.012  -1.103   5.688
  345    HB   THR  48           HB       THR  48   1.201  -2.490   3.003
  346    HG1  THR  48           HG1      THR  48   3.118  -2.514   4.082
  347   HG21  THR  48          HG21      THR  48  -0.099  -0.408   2.806
  348   HG22  THR  48          HG22      THR  48   1.479  -0.241   2.039
  349   HG23  THR  48          HG23      THR  48   1.191   0.478   3.625
  350    H    ALA  49           HN       ALA  49  -0.709  -3.572   3.666
  351    HA   ALA  49           HA       ALA  49  -2.977  -2.128   3.134
  352    HB1  ALA  49           HB1      ALA  49  -2.665  -5.116   3.333
  353    HB2  ALA  49           HB2      ALA  49  -2.278  -4.131   1.921
  354    HB3  ALA  49           HB3      ALA  49  -3.944  -4.252   2.484
  355    H    ALA  50           HN       ALA  50  -2.343  -4.445   5.747
  356    HA   ALA  50           HA       ALA  50  -4.844  -4.736   6.833
  357    HB1  ALA  50           HB1      ALA  50  -2.267  -4.519   8.366
  358    HB2  ALA  50           HB2      ALA  50  -2.843  -5.969   7.539
  359    HB3  ALA  50           HB3      ALA  50  -3.742  -5.316   8.911
  360    H    ARG  51           HN       ARG  51  -2.554  -2.160   7.485
  361    HA   ARG  51           HA       ARG  51  -3.981  -0.876   9.555
  362    HB2  ARG  51           HB2      ARG  51  -1.618  -0.464   9.162
  363    HB3  ARG  51           HB1      ARG  51  -1.967   0.199   7.576
  364    HG2  ARG  51           HG2      ARG  51  -3.133   2.069   8.599
  365    HG3  ARG  51           HG1      ARG  51  -2.827   1.392  10.200
  366    HD2  ARG  51           HD2      ARG  51  -0.443   1.575   9.843
  367    HD3  ARG  51           HD1      ARG  51  -0.711   2.200   8.219
  368    HE   ARG  51           HE       ARG  51  -1.991   4.030   9.462
  369   HH11  ARG  51          HH11      ARG  51   0.945   2.460  10.740
  370   HH12  ARG  51          HH12      ARG  51   1.501   3.838  11.551
  371   HH21  ARG  51          HH21      ARG  51  -1.252   5.917  10.683
  372   HH22  ARG  51          HH22      ARG  51   0.251   5.840  11.496
  373    H    LEU  52           HN       LEU  52  -3.829  -0.395   6.092
  374    HA   LEU  52           HA       LEU  52  -5.594   1.830   6.087
  375    HB2  LEU  52           HB2      LEU  52  -4.676   0.056   3.825
  376    HB3  LEU  52           HB1      LEU  52  -5.490   1.603   3.646
  377    HG   LEU  52           HG       LEU  52  -2.789   1.215   4.939
  378   HD11  LEU  52          HD11      LEU  52  -1.885   2.309   2.963
  379   HD12  LEU  52          HD12      LEU  52  -3.492   2.321   2.235
  380   HD13  LEU  52          HD13      LEU  52  -2.680   0.788   2.563
  381   HD21  LEU  52          HD21      LEU  52  -2.646   3.662   4.849
  382   HD22  LEU  52          HD22      LEU  52  -3.992   3.123   5.853
  383   HD23  LEU  52          HD23      LEU  52  -4.299   3.732   4.229
  384    H    GLU  53           HN       GLU  53  -5.959  -1.641   5.565
  385    HA   GLU  53           HA       GLU  53  -8.542  -1.791   4.727
  386    HB2  GLU  53           HB2      GLU  53  -7.166  -3.545   6.748
  387    HB3  GLU  53           HB1      GLU  53  -8.707  -3.943   6.010
  388    HG2  GLU  53           HG2      GLU  53  -7.331  -3.889   3.800
  389    HG3  GLU  53           HG1      GLU  53  -5.959  -3.912   4.892
  390    H    SER  54           HN       SER  54  -7.265  -1.934   7.987
  391    HA   SER  54           HA       SER  54  -9.565  -2.029   9.515
  392    HB2  SER  54           HB2      SER  54  -7.306  -2.579  10.290
  393    HB3  SER  54           HB1      SER  54  -6.831  -0.898  10.133
  394    HG   SER  54           HG       SER  54  -7.241  -1.401  12.199
  395    H    ARG  55           HN       ARG  55  -7.550   0.763   8.695
  396    HA   ARG  55           HA       ARG  55  -8.971   2.744  10.018
  397    HB2  ARG  55           HB2      ARG  55  -6.746   3.098   9.266
  398    HB3  ARG  55           HB1      ARG  55  -7.205   2.819   7.596
  399    HG2  ARG  55           HG2      ARG  55  -8.517   4.882   7.630
  400    HG3  ARG  55           HG1      ARG  55  -8.011   5.157   9.304
  401    HD2  ARG  55           HD2      ARG  55  -5.736   5.327   8.670
  402    HD3  ARG  55           HD1      ARG  55  -6.090   4.787   7.031
  403    HE   ARG  55           HE       ARG  55  -7.589   7.065   7.559
  404   HH11  ARG  55          HH11      ARG  55  -4.157   6.182   7.173
  405   HH12  ARG  55          HH12      ARG  55  -3.773   7.656   6.374
  406   HH21  ARG  55          HH21      ARG  55  -6.947   9.131   6.502
  407   HH22  ARG  55          HH22      ARG  55  -5.310   9.274   6.021
  408    H    TYR  56           HN       TYR  56  -9.386   1.527   6.712
  409    HA   TYR  56           HA       TYR  56 -11.482   3.497   6.324
  410    HB2  TYR  56           HB2      TYR  56 -10.038   1.722   4.384
  411    HB3  TYR  56           HB1      TYR  56 -11.429   2.707   3.943
  412    HD1  TYR  56           HD2      TYR  56 -11.283   5.155   4.029
  413    HD2  TYR  56           HD1      TYR  56  -7.870   2.725   4.708
  414    HE1  TYR  56           HE2      TYR  56  -9.839   7.094   3.650
  415    HE2  TYR  56           HE1      TYR  56  -6.412   4.658   4.338
  416    HH   TYR  56           HH       TYR  56  -7.672   7.854   4.150
  417    H    GLY  57           HN       GLY  57 -11.356   0.380   7.403
  418    HA2  GLY  57           HA2      GLY  57 -13.079  -1.041   7.958
  419    HA3  GLY  57           HA1      GLY  57 -14.202   0.113   7.258
  420    H    VAL  58           HN       VAL  58 -11.539  -1.161   5.444
  421    HA   VAL  58           HA       VAL  58 -13.503  -2.448   3.693
  422    HB   VAL  58           HB       VAL  58 -11.940  -2.269   1.824
  423   HG11  VAL  58          HG11      VAL  58 -13.377  -0.351   2.253
  424   HG12  VAL  58          HG12      VAL  58 -11.806   0.143   1.594
  425   HG13  VAL  58          HG13      VAL  58 -12.127   0.316   3.316
  426   HG21  VAL  58          HG21      VAL  58 -10.049  -0.932   3.745
  427   HG22  VAL  58          HG22      VAL  58  -9.806  -1.114   2.006
  428   HG23  VAL  58          HG23      VAL  58  -9.833  -2.544   3.047
  429    H    SER  59           HN       SER  59 -12.399  -4.287   2.312
  430    HA   SER  59           HA       SER  59 -10.781  -5.964   4.068
  431    HB2  SER  59           HB2      SER  59 -12.259  -7.901   3.224
  432    HB3  SER  59           HB1      SER  59 -12.954  -6.825   4.437
  433    HG   SER  59           HG       SER  59 -13.395  -5.976   1.864
  434    H    ILE  60           HN       ILE  60  -8.937  -6.359   3.034
  435    HA   ILE  60           HA       ILE  60  -8.902  -6.260   0.118
  436    HB   ILE  60           HB       ILE  60  -6.698  -5.933   2.174
  437   HG12  ILE  60          HG12      ILE  60  -7.937  -3.974   0.231
  438   HG13  ILE  60          HG11      ILE  60  -8.256  -4.050   1.955
  439   HG21  ILE  60          HG21      ILE  60  -5.762  -7.039   0.203
  440   HG22  ILE  60          HG22      ILE  60  -5.196  -5.373   0.302
  441   HG23  ILE  60          HG23      ILE  60  -6.463  -5.807  -0.843
  442   HD11  ILE  60          HD11      ILE  60  -6.719  -2.259   1.410
  443   HD12  ILE  60          HD12      ILE  60  -5.610  -3.415   0.678
  444   HD13  ILE  60          HD13      ILE  60  -5.933  -3.479   2.411
  445    HA   PRO  61           HA       PRO  61  -8.266 -10.642  -0.139
  446    HB2  PRO  61           HB2      PRO  61  -7.037 -10.022  -2.744
  447    HB3  PRO  61           HB1      PRO  61  -8.446 -11.023  -2.381
  448    HG2  PRO  61           HG2      PRO  61  -8.697  -8.628  -3.548
  449    HG3  PRO  61           HG1      PRO  61  -9.891  -9.224  -2.384
  450    HD2  PRO  61           HD2      PRO  61  -7.687  -7.249  -2.000
  451    HD3  PRO  61           HD1      PRO  61  -9.351  -7.222  -1.377
  452    H    ASP  62           HN       ASP  62  -6.766 -11.679   0.739
  453    HA   ASP  62           HA       ASP  62  -4.191 -10.899   1.540
  454    HB2  ASP  62           HB2      ASP  62  -5.687 -12.725   2.446
  455    HB3  ASP  62           HB1      ASP  62  -5.212 -13.706   1.076
  456    H    ASP  63           HN       ASP  63  -5.159 -12.935  -1.215
  457    HA   ASP  63           HA       ASP  63  -2.481 -13.432  -2.051
  458    HB2  ASP  63           HB2      ASP  63  -5.139 -13.918  -3.349
  459    HB3  ASP  63           HB1      ASP  63  -3.653 -14.118  -4.268
  460    H    VAL  64           HN       VAL  64  -4.622 -10.830  -2.667
  461    HA   VAL  64           HA       VAL  64  -3.173 -10.054  -5.070
  462    HB   VAL  64           HB       VAL  64  -5.437  -8.558  -3.720
  463   HG11  VAL  64          HG11      VAL  64  -5.701  -7.459  -5.898
  464   HG12  VAL  64          HG12      VAL  64  -4.306  -8.343  -6.514
  465   HG13  VAL  64          HG13      VAL  64  -4.101  -7.167  -5.218
  466   HG21  VAL  64          HG21      VAL  64  -6.165 -10.782  -4.380
  467   HG22  VAL  64          HG22      VAL  64  -5.527 -10.525  -6.004
  468   HG23  VAL  64          HG23      VAL  64  -6.885  -9.558  -5.428
  469    H    ALA  65           HN       ALA  65  -3.494  -9.112  -1.729
  470    HA   ALA  65           HA       ALA  65  -2.372  -6.578  -1.774
  471    HB1  ALA  65           HB1      ALA  65  -2.123  -8.626   0.414
  472    HB2  ALA  65           HB2      ALA  65  -3.504  -7.551   0.173
  473    HB3  ALA  65           HB3      ALA  65  -1.921  -6.885   0.588
  474    H    GLY  66           HN       GLY  66  -0.775  -9.699  -1.704
  475    HA2  GLY  66           HA2      GLY  66   1.800  -8.281  -1.821
  476    HA3  GLY  66           HA1      GLY  66   1.609  -9.962  -1.302
  477    H    ARG  67           HN       ARG  67  -0.061  -8.637  -4.035
  478    HA   ARG  67           HA       ARG  67   1.753 -10.115  -5.833
  479    HB2  ARG  67           HB2      ARG  67  -0.424 -11.102  -5.287
  480    HB3  ARG  67           HB1      ARG  67  -1.215  -9.745  -6.055
  481    HG2  ARG  67           HG2      ARG  67  -0.169 -10.326  -8.183
  482    HG3  ARG  67           HG1      ARG  67   0.623 -11.700  -7.398
  483    HD2  ARG  67           HD2      ARG  67  -2.364 -11.292  -7.647
  484    HD3  ARG  67           HD1      ARG  67  -1.393 -12.415  -8.602
  485    HE   ARG  67           HE       ARG  67  -1.456 -12.653  -5.677
  486   HH11  ARG  67          HH11      ARG  67  -2.575 -13.990  -8.758
  487   HH12  ARG  67          HH12      ARG  67  -2.571 -15.605  -8.206
  488   HH21  ARG  67          HH21      ARG  67  -1.528 -14.827  -4.916
  489   HH22  ARG  67          HH22      ARG  67  -2.037 -16.088  -5.945
  490    H    VAL  68           HN       VAL  68   0.664  -7.175  -4.930
  491    HA   VAL  68           HA       VAL  68   0.207  -5.960  -7.461
  492    HB   VAL  68           HB       VAL  68   0.346  -3.789  -6.128
  493   HG11  VAL  68          HG11      VAL  68  -1.776  -4.931  -6.560
  494   HG12  VAL  68          HG12      VAL  68  -1.776  -4.200  -4.957
  495   HG13  VAL  68          HG13      VAL  68  -1.537  -5.938  -5.132
  496   HG21  VAL  68          HG21      VAL  68   0.316  -3.980  -3.688
  497   HG22  VAL  68          HG22      VAL  68   1.830  -4.611  -4.350
  498   HG23  VAL  68          HG23      VAL  68   0.563  -5.721  -3.824
  499    H    ASP  69           HN       ASP  69   1.621  -5.452  -8.860
  500    HA   ASP  69           HA       ASP  69   4.410  -5.813  -8.637
  501    HB2  ASP  69           HB2      ASP  69   2.864  -4.218 -10.689
  502    HB3  ASP  69           HB1      ASP  69   4.558  -4.662 -10.828
  503    H    THR  70           HN       THR  70   2.548  -2.815  -8.970
  504    HA   THR  70           HA       THR  70   4.847  -1.340  -7.931
  505    HB   THR  70           HB       THR  70   4.017   0.557  -9.291
  506    HG1  THR  70           HG1      THR  70   2.396  -0.116 -10.944
  507   HG21  THR  70          HG21      THR  70   4.523  -0.335 -11.531
  508   HG22  THR  70          HG22      THR  70   4.323  -1.979 -10.923
  509   HG23  THR  70          HG23      THR  70   5.641  -0.973 -10.324
  510    HA   PRO  71           HA       PRO  71   2.184   0.193  -4.616
  511    HB2  PRO  71           HB2      PRO  71   3.175   2.900  -5.421
  512    HB3  PRO  71           HB1      PRO  71   3.107   2.165  -3.812
  513    HG2  PRO  71           HG2      PRO  71   5.417   2.304  -5.066
  514    HG3  PRO  71           HG1      PRO  71   4.964   0.810  -4.215
  515    HD2  PRO  71           HD2      PRO  71   4.899   1.410  -7.147
  516    HD3  PRO  71           HD1      PRO  71   5.422  -0.068  -6.306
  517    H    ARG  72           HN       ARG  72   2.168   1.701  -7.780
  518    HA   ARG  72           HA       ARG  72  -0.282   3.081  -7.724
  519    HB2  ARG  72           HB2      ARG  72   1.262   3.063  -9.691
  520    HB3  ARG  72           HB1      ARG  72   0.767   1.412 -10.031
  521    HG2  ARG  72           HG2      ARG  72  -0.494   2.697 -11.512
  522    HG3  ARG  72           HG1      ARG  72  -1.611   2.346 -10.195
  523    HD2  ARG  72           HD2      ARG  72  -1.853   4.654 -10.793
  524    HD3  ARG  72           HD1      ARG  72  -1.049   4.579  -9.224
  525    HE   ARG  72           HE       ARG  72   0.817   4.656 -11.372
  526   HH11  ARG  72          HH11      ARG  72  -1.333   6.835  -9.548
  527   HH12  ARG  72          HH12      ARG  72  -0.329   8.187  -9.779
  528   HH21  ARG  72          HH21      ARG  72   2.141   6.477 -11.638
  529   HH22  ARG  72          HH22      ARG  72   1.743   7.980 -10.914
  530    H    GLU  73           HN       GLU  73   0.407  -0.326  -8.425
  531    HA   GLU  73           HA       GLU  73  -2.205  -1.212  -8.928
  532    HB2  GLU  73           HB2      GLU  73   0.088  -2.760  -7.730
  533    HB3  GLU  73           HB1      GLU  73  -1.351  -3.448  -8.459
  534    HG2  GLU  73           HG2      GLU  73   0.740  -1.818  -9.862
  535    HG3  GLU  73           HG1      GLU  73   0.566  -3.569  -9.928
  536    H    LEU  74           HN       LEU  74  -0.354  -0.907  -5.980
  537    HA   LEU  74           HA       LEU  74  -2.212  -2.261  -4.298
  538    HB2  LEU  74           HB2      LEU  74   0.265  -1.899  -3.850
  539    HB3  LEU  74           HB1      LEU  74  -0.107  -0.235  -3.482
  540    HG   LEU  74           HG       LEU  74   0.294  -1.686  -1.484
  541   HD11  LEU  74          HD11      LEU  74  -0.973   0.346  -1.189
  542   HD12  LEU  74          HD12      LEU  74  -1.579  -0.930  -0.135
  543   HD13  LEU  74          HD13      LEU  74  -2.463  -0.502  -1.603
  544   HD21  LEU  74          HD21      LEU  74  -0.692  -3.744  -2.285
  545   HD22  LEU  74          HD22      LEU  74  -2.290  -2.999  -2.293
  546   HD23  LEU  74          HD23      LEU  74  -1.441  -3.252  -0.766
  547    H    LEU  75           HN       LEU  75  -1.611   1.155  -5.046
  548    HA   LEU  75           HA       LEU  75  -3.576   2.228  -3.337
  549    HB2  LEU  75           HB2      LEU  75  -1.791   3.569  -4.403
  550    HB3  LEU  75           HB1      LEU  75  -2.558   3.326  -5.958
  551    HG   LEU  75           HG       LEU  75  -4.564   4.560  -5.112
  552   HD11  LEU  75          HD11      LEU  75  -2.814   5.109  -2.734
  553   HD12  LEU  75          HD12      LEU  75  -4.294   4.149  -2.762
  554   HD13  LEU  75          HD13      LEU  75  -4.363   5.881  -3.087
  555   HD21  LEU  75          HD21      LEU  75  -2.861   5.700  -6.437
  556   HD22  LEU  75          HD22      LEU  75  -1.943   6.044  -4.972
  557   HD23  LEU  75          HD23      LEU  75  -3.526   6.778  -5.211
  558    H    ASP  76           HN       ASP  76  -3.635   1.248  -6.713
  559    HA   ASP  76           HA       ASP  76  -6.270   1.994  -7.335
  560    HB2  ASP  76           HB2      ASP  76  -4.524   1.356  -9.004
  561    HB3  ASP  76           HB1      ASP  76  -4.700  -0.318  -8.494
  562    H    LEU  77           HN       LEU  77  -4.915  -1.011  -6.106
  563    HA   LEU  77           HA       LEU  77  -7.166  -2.625  -6.012
  564    HB2  LEU  77           HB2      LEU  77  -4.930  -3.446  -5.553
  565    HB3  LEU  77           HB1      LEU  77  -4.816  -2.436  -4.131
  566    HG   LEU  77           HG       LEU  77  -6.609  -3.783  -3.073
  567   HD11  LEU  77          HD11      LEU  77  -7.226  -5.928  -4.054
  568   HD12  LEU  77          HD12      LEU  77  -6.297  -5.532  -5.500
  569   HD13  LEU  77          HD13      LEU  77  -7.720  -4.579  -5.078
  570   HD21  LEU  77          HD21      LEU  77  -5.199  -5.739  -2.640
  571   HD22  LEU  77          HD22      LEU  77  -4.261  -4.248  -2.628
  572   HD23  LEU  77          HD23      LEU  77  -4.195  -5.318  -4.028
  573    H    ILE  78           HN       ILE  78  -5.864  -0.507  -3.457
  574    HA   ILE  78           HA       ILE  78  -8.074  -0.965  -1.765
  575    HB   ILE  78           HB       ILE  78  -6.071   1.312  -1.635
  576   HG12  ILE  78          HG12      ILE  78  -6.202  -1.407  -0.316
  577   HG13  ILE  78          HG11      ILE  78  -4.973  -0.810  -1.421
  578   HG21  ILE  78          HG21      ILE  78  -8.048   0.336   0.450
  579   HG22  ILE  78          HG22      ILE  78  -8.138   1.866  -0.420
  580   HG23  ILE  78          HG23      ILE  78  -6.815   1.573   0.709
  581   HD11  ILE  78          HD11      ILE  78  -5.484   0.122   1.384
  582   HD12  ILE  78          HD12      ILE  78  -4.271   0.812   0.296
  583   HD13  ILE  78          HD13      ILE  78  -4.132  -0.866   0.836
  584    H    ASN  79           HN       ASN  79  -7.350   1.613  -4.062
  585    HA   ASN  79           HA       ASN  79  -9.590   3.217  -3.425
  586    HB2  ASN  79           HB2      ASN  79  -7.907   3.050  -5.912
  587    HB3  ASN  79           HB1      ASN  79  -9.384   3.997  -5.928
  588   HD21  ASN  79          HD21      ASN  79  -7.279   3.716  -3.120
  589   HD22  ASN  79          HD22      ASN  79  -6.728   5.358  -3.162
  590    H    GLY  80           HN       GLY  80  -9.370   0.304  -5.209
  591    HA2  GLY  80           HA2      GLY  80 -11.937   0.537  -6.457
  592    HA3  GLY  80           HA1      GLY  80 -10.984  -0.934  -6.300
  593    H    ALA  81           HN       ALA  81 -10.715  -1.405  -3.759
  594    HA   ALA  81           HA       ALA  81 -13.231  -2.379  -2.924
  595    HB1  ALA  81           HB1      ALA  81 -12.075  -3.133  -0.918
  596    HB2  ALA  81           HB2      ALA  81 -10.698  -2.106  -1.307
  597    HB3  ALA  81           HB3      ALA  81 -11.106  -3.467  -2.351
  598    H    LEU  82           HN       LEU  82 -11.440   0.476  -2.077
  599    HA   LEU  82           HA       LEU  82 -13.073   1.192   0.144
  600    HB2  LEU  82           HB2      LEU  82 -10.748   1.827   0.010
  601    HB3  LEU  82           HB1      LEU  82 -11.043   2.719  -1.460
  602    HG   LEU  82           HG       LEU  82 -12.217   4.435  -0.251
  603   HD11  LEU  82          HD11      LEU  82 -11.798   2.686   2.167
  604   HD12  LEU  82          HD12      LEU  82 -13.351   3.043   1.410
  605   HD13  LEU  82          HD13      LEU  82 -12.434   4.330   2.199
  606   HD21  LEU  82          HD21      LEU  82  -9.686   3.623   1.170
  607   HD22  LEU  82          HD22      LEU  82 -10.372   5.242   1.108
  608   HD23  LEU  82          HD23      LEU  82  -9.781   4.470  -0.365
  609    H    ALA  83           HN       ALA  83 -13.294   1.679  -3.279
  610    HA   ALA  83           HA       ALA  83 -15.177   3.858  -3.086
  611    HB1  ALA  83           HB1      ALA  83 -14.592   2.000  -5.409
  612    HB2  ALA  83           HB2      ALA  83 -13.821   3.561  -5.123
  613    HB3  ALA  83           HB3      ALA  83 -15.543   3.482  -5.494
  614    H    GLU  84           HN       GLU  84 -15.218   0.643  -2.479
  615    HA   GLU  84           HA       GLU  84 -18.035   0.208  -3.045
  616    HB2  GLU  84           HB2      GLU  84 -16.396  -1.505  -3.672
  617    HB3  GLU  84           HB1      GLU  84 -15.836  -1.596  -2.015
  618    HG2  GLU  84           HG2      GLU  84 -18.043  -2.451  -1.358
  619    HG3  GLU  84           HG1      GLU  84 -18.533  -2.405  -3.055
  620    H    ALA  85           HN       ALA  85 -16.120   1.514  -0.613
  621    HA   ALA  85           HA       ALA  85 -17.691   0.399   1.553
  622    HB1  ALA  85           HB1      ALA  85 -16.074   1.446   3.054
  623    HB2  ALA  85           HB2      ALA  85 -15.276   2.209   1.681
  624    HB3  ALA  85           HB3      ALA  85 -15.252   0.455   1.850
  625    H    ALA  86           HN       ALA  86 -19.609   1.418   0.981
  626    HA   ALA  86           HA       ALA  86 -19.692   4.220   1.785
  627    HB1  ALA  86           HB1      ALA  86 -21.310   2.925  -0.418
  628    HB2  ALA  86           HB2      ALA  86 -20.001   4.085  -0.643
  629    HB3  ALA  86           HB3      ALA  86 -21.494   4.585   0.152
  630    H28  SXD  87          H28B      SXD  87   2.208 -13.038   0.214
  631   H28A  SXD  87          H28A      SXD  87   2.905 -12.315   1.666
  632    H30  SXD  87          H30A      SXD  87   0.063 -14.310   2.793
  633   H30A  SXD  87          H30C      SXD  87   0.719 -12.680   2.645
  634   H30B  SXD  87          H30B      SXD  87   0.167 -13.542   1.208
  635    H31  SXD  87          H31A      SXD  87   2.903 -15.920   1.029
  636   H31A  SXD  87          H31C      SXD  87   1.355 -16.255   1.830
  637   H31B  SXD  87          H31B      SXD  87   1.398 -15.351   0.306
  638    H32  SXD  87          H32A      SXD  87   3.010 -13.509   3.848
  639   HO33  SXD  87          H33A      SXD  87   3.805 -16.051   3.509
  640   HN36  SXD  87          H36A      SXD  87   0.714 -13.876   4.600
  641    H37  SXD  87          H37B      SXD  87   0.393 -15.411   6.782
  642   H37A  SXD  87          H37A      SXD  87  -0.221 -16.426   5.469
  643    H38  SXD  87          H38A      SXD  87  -1.737 -14.609   4.790
  644   H38A  SXD  87          H38B      SXD  87  -2.035 -15.116   6.451
  645   HN41  SXD  87          H41A      SXD  87  -2.709 -12.622   5.146
  646    H42  SXD  87          H42B      SXD  87  -1.239 -10.415   5.492
  647   H42A  SXD  87          H42A      SXD  87  -1.747 -10.785   7.144
  648    H43  SXD  87          H43B      SXD  87  -3.270  -9.196   6.163
  649   H43A  SXD  87          H43A      SXD  87  -3.554 -10.292   4.805
  650    H1   SXD  87           H1A      SXD  87  -6.250  -9.829   5.470
  651    H1A  SXD  87           H1B      SXD  87  -5.630  -8.880   6.839
  652    H2   SXD  87           H2A      SXD  87  -6.965 -10.337   8.292
  653    H2A  SXD  87           H2B      SXD  87  -7.641 -11.154   6.871
  654    H4   SXD  87           H4B      SXD  87  -9.036  -8.011   5.515
  655    H4A  SXD  87           H4A      SXD  87  -8.667  -9.688   5.143
  656    H6   SXD  87           H6C      SXD  87 -12.232  -8.110   6.457
  657    H6A  SXD  87           H6A      SXD  87 -10.831  -7.932   7.523
  658    H6B  SXD  87           H6B      SXD  87 -11.884  -9.348   7.672
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1 -18.815  12.425   2.130
    2    H2   MET   1           HT2      MET   1 -19.201  13.012   0.592
    3    H3   MET   1           HT3      MET   1 -19.347  14.029   1.930
    4    HA   MET   1           HA       MET   1 -17.422  14.577   0.658
    5    HB2  MET   1           HB2      MET   1 -17.330  14.879   3.101
    6    HB3  MET   1           HB1      MET   1 -16.757  13.229   3.293
    7    HG2  MET   1           HG2      MET   1 -14.925  14.773   3.531
    8    HG3  MET   1           HG1      MET   1 -14.713  13.824   2.063
    9    HE1  MET   1           HE1      MET   1 -16.131  18.231   2.106
   10    HE2  MET   1           HE2      MET   1 -15.711  17.330   3.563
   11    HE3  MET   1           HE3      MET   1 -17.148  16.892   2.639
   12    H    ALA   2           HN       ALA   2 -17.143  11.286   2.024
   13    HA   ALA   2           HA       ALA   2 -16.141   9.441   1.381
   14    HB1  ALA   2           HB1      ALA   2 -16.152  10.549  -1.434
   15    HB2  ALA   2           HB2      ALA   2 -17.486   9.669  -0.690
   16    HB3  ALA   2           HB3      ALA   2 -15.947   8.861  -0.973
   17    H    THR   3           HN       THR   3 -14.447  10.121   2.675
   18    HA   THR   3           HA       THR   3 -12.060  11.282   1.542
   19    HB   THR   3           HB       THR   3 -12.306   9.759   4.093
   20    HG1  THR   3           HG1      THR   3 -13.563  11.209   4.860
   21   HG21  THR   3          HG21      THR   3 -10.070  10.478   3.446
   22   HG22  THR   3          HG22      THR   3 -10.607  11.376   4.866
   23   HG23  THR   3          HG23      THR   3 -10.630  12.144   3.277
   24    H    LEU   4           HN       LEU   4 -11.010   9.961   0.102
   25    HA   LEU   4           HA       LEU   4 -10.712   7.138   0.876
   26    HB2  LEU   4           HB2      LEU   4 -10.531   8.287  -1.913
   27    HB3  LEU   4           HB1      LEU   4 -10.471   6.596  -1.467
   28    HG   LEU   4           HG       LEU   4 -12.861   8.428  -1.391
   29   HD11  LEU   4          HD11      LEU   4 -12.315   5.921  -2.948
   30   HD12  LEU   4          HD12      LEU   4 -12.347   7.569  -3.575
   31   HD13  LEU   4          HD13      LEU   4 -13.825   6.830  -2.957
   32   HD21  LEU   4          HD21      LEU   4 -14.157   6.452  -0.597
   33   HD22  LEU   4          HD22      LEU   4 -13.010   7.082   0.580
   34   HD23  LEU   4          HD23      LEU   4 -12.624   5.613  -0.304
   35    H    LEU   5           HN       LEU   5  -8.673   6.257  -0.340
   36    HA   LEU   5           HA       LEU   5  -6.444   7.417   0.953
   37    HB2  LEU   5           HB2      LEU   5  -6.573   5.392  -1.253
   38    HB3  LEU   5           HB1      LEU   5  -5.069   5.943  -0.564
   39    HG   LEU   5           HG       LEU   5  -7.240   4.452   0.899
   40   HD11  LEU   5          HD11      LEU   5  -5.989   3.128  -0.731
   41   HD12  LEU   5          HD12      LEU   5  -5.581   2.664   0.919
   42   HD13  LEU   5          HD13      LEU   5  -4.475   3.675  -0.015
   43   HD21  LEU   5          HD21      LEU   5  -6.058   6.022   2.351
   44   HD22  LEU   5          HD22      LEU   5  -4.511   5.377   1.798
   45   HD23  LEU   5          HD23      LEU   5  -5.618   4.354   2.718
   46    H    THR   6           HN       THR   6  -5.287   9.111   0.425
   47    HA   THR   6           HA       THR   6  -5.296  10.053  -2.298
   48    HB   THR   6           HB       THR   6  -4.019  11.959  -1.389
   49    HG1  THR   6           HG1      THR   6  -4.356  11.017   1.259
   50   HG21  THR   6          HG21      THR   6  -6.423  11.271   0.314
   51   HG22  THR   6          HG22      THR   6  -6.473  12.060  -1.261
   52   HG23  THR   6          HG23      THR   6  -5.741  12.884   0.117
   53    H    THR   7           HN       THR   7  -2.842  10.975  -2.673
   54    HA   THR   7           HA       THR   7  -1.201   8.713  -3.068
   55    HB   THR   7           HB       THR   7  -0.389  11.635  -3.100
   56    HG1  THR   7           HG1      THR   7  -2.163  11.670  -4.393
   57   HG21  THR   7          HG21      THR   7   1.381   9.981  -3.472
   58   HG22  THR   7          HG22      THR   7   1.041  10.887  -4.951
   59   HG23  THR   7          HG23      THR   7   0.420   9.243  -4.756
   60    H    ASP   8           HN       ASP   8  -1.246  11.482  -0.889
   61    HA   ASP   8           HA       ASP   8   1.064  10.991   0.595
   62    HB2  ASP   8           HB2      ASP   8  -0.208  13.123   0.529
   63    HB3  ASP   8           HB1      ASP   8  -1.456  12.360   1.511
   64    H    ASP   9           HN       ASP   9  -2.352  10.130   1.299
   65    HA   ASP   9           HA       ASP   9  -1.964   8.892   3.789
   66    HB2  ASP   9           HB2      ASP   9  -4.033   8.201   1.674
   67    HB3  ASP   9           HB1      ASP   9  -3.940   7.389   3.216
   68    H    LEU  10           HN       LEU  10  -1.662   7.504   0.578
   69    HA   LEU  10           HA       LEU  10  -1.182   4.860   1.449
   70    HB2  LEU  10           HB2      LEU  10  -1.848   5.422  -0.858
   71    HB3  LEU  10           HB1      LEU  10  -0.293   6.190  -1.112
   72    HG   LEU  10           HG       LEU  10   0.797   3.980  -0.706
   73   HD11  LEU  10          HD11      LEU  10  -0.954   2.919   0.581
   74   HD12  LEU  10          HD12      LEU  10  -0.563   1.963  -0.849
   75   HD13  LEU  10          HD13      LEU  10  -2.025   2.950  -0.819
   76   HD21  LEU  10          HD21      LEU  10   0.206   3.041  -2.889
   77   HD22  LEU  10          HD22      LEU  10   0.433   4.792  -2.954
   78   HD23  LEU  10          HD23      LEU  10  -1.197   4.110  -2.941
   79    H    ARG  11           HN       ARG  11   0.973   7.527   0.552
   80    HA   ARG  11           HA       ARG  11   3.433   6.256   0.823
   81    HB2  ARG  11           HB2      ARG  11   3.268   8.507  -0.102
   82    HB3  ARG  11           HB1      ARG  11   2.726   9.133   1.450
   83    HG2  ARG  11           HG2      ARG  11   4.911   8.580   2.430
   84    HG3  ARG  11           HG1      ARG  11   5.439   7.944   0.875
   85    HD2  ARG  11           HD2      ARG  11   6.308  10.189   1.244
   86    HD3  ARG  11           HD1      ARG  11   5.196  10.162  -0.121
   87    HE   ARG  11           HE       ARG  11   3.606  10.871   1.921
   88   HH11  ARG  11          HH11      ARG  11   6.829  12.119   1.090
   89   HH12  ARG  11          HH12      ARG  11   6.445  13.728   1.442
   90   HH21  ARG  11          HH21      ARG  11   3.087  13.129   2.400
   91   HH22  ARG  11          HH22      ARG  11   4.293  14.309   2.214
   92    H    ARG  12           HN       ARG  12   1.478   7.869   3.261
   93    HA   ARG  12           HA       ARG  12   3.157   7.750   5.484
   94    HB2  ARG  12           HB2      ARG  12   0.188   7.244   5.566
   95    HB3  ARG  12           HB1      ARG  12   1.198   7.851   6.865
   96    HG2  ARG  12           HG2      ARG  12   1.539   9.915   5.673
   97    HG3  ARG  12           HG1      ARG  12   0.609   9.296   4.299
   98    HD2  ARG  12           HD2      ARG  12  -1.250   8.888   5.984
   99    HD3  ARG  12           HD1      ARG  12  -0.332   9.924   7.066
  100    HE   ARG  12           HE       ARG  12  -0.577  11.351   4.755
  101   HH11  ARG  12          HH11      ARG  12  -2.760   9.986   7.172
  102   HH12  ARG  12          HH12      ARG  12  -4.095  10.959   6.701
  103   HH21  ARG  12          HH21      ARG  12  -2.347  12.666   4.140
  104   HH22  ARG  12          HH22      ARG  12  -3.870  12.513   4.880
  105    H    ALA  13           HN       ALA  13   0.986   5.311   4.179
  106    HA   ALA  13           HA       ALA  13   1.205   3.457   6.297
  107    HB1  ALA  13           HB1      ALA  13   0.192   1.853   4.774
  108    HB2  ALA  13           HB2      ALA  13   0.490   2.935   3.414
  109    HB3  ALA  13           HB3      ALA  13  -0.637   3.406   4.686
  110    H    LEU  14           HN       LEU  14   2.819   3.579   3.107
  111    HA   LEU  14           HA       LEU  14   4.450   1.365   3.483
  112    HB2  LEU  14           HB2      LEU  14   4.763   3.809   1.762
  113    HB3  LEU  14           HB1      LEU  14   6.024   2.599   1.834
  114    HG   LEU  14           HG       LEU  14   4.316   0.920   1.076
  115   HD11  LEU  14          HD11      LEU  14   2.345   1.690  -0.093
  116   HD12  LEU  14          HD12      LEU  14   2.646   3.335   0.480
  117   HD13  LEU  14          HD13      LEU  14   2.284   2.048   1.632
  118   HD21  LEU  14          HD21      LEU  14   5.969   1.796  -0.444
  119   HD22  LEU  14          HD22      LEU  14   4.955   3.202  -0.775
  120   HD23  LEU  14          HD23      LEU  14   4.429   1.599  -1.281
  121    H    VAL  15           HN       VAL  15   5.047   4.747   4.267
  122    HA   VAL  15           HA       VAL  15   7.664   4.479   5.220
  123    HB   VAL  15           HB       VAL  15   5.498   6.422   6.122
  124   HG11  VAL  15          HG11      VAL  15   8.492   6.554   6.552
  125   HG12  VAL  15          HG12      VAL  15   7.283   6.262   7.801
  126   HG13  VAL  15          HG13      VAL  15   7.335   7.819   6.973
  127   HG21  VAL  15          HG21      VAL  15   6.042   6.586   3.752
  128   HG22  VAL  15          HG22      VAL  15   7.755   6.731   4.141
  129   HG23  VAL  15          HG23      VAL  15   6.630   7.999   4.626
  130    H    GLU  16           HN       GLU  16   4.590   4.356   7.028
  131    HA   GLU  16           HA       GLU  16   5.825   3.751   9.473
  132    HB2  GLU  16           HB2      GLU  16   2.985   3.546   8.540
  133    HB3  GLU  16           HB1      GLU  16   3.456   3.000  10.148
  134    HG2  GLU  16           HG2      GLU  16   4.219   5.174  10.750
  135    HG3  GLU  16           HG1      GLU  16   4.043   5.756   9.099
  136    H    SER  17           HN       SER  17   5.098   1.667   6.839
  137    HA   SER  17           HA       SER  17   5.442  -0.718   8.397
  138    HB2  SER  17           HB2      SER  17   5.405  -0.259   5.397
  139    HB3  SER  17           HB1      SER  17   5.540  -1.846   6.156
  140    HG   SER  17           HG       SER  17   3.590  -1.457   7.178
  141    H    ALA  18           HN       ALA  18   7.434   1.112   6.076
  142    HA   ALA  18           HA       ALA  18   9.665  -0.623   6.193
  143    HB1  ALA  18           HB1      ALA  18  10.856   1.114   4.986
  144    HB2  ALA  18           HB2      ALA  18   9.574   2.268   5.349
  145    HB3  ALA  18           HB3      ALA  18   9.245   0.883   4.307
  146    H    GLY  19           HN       GLY  19   9.008   2.489   7.736
  147    HA2  GLY  19           HA2      GLY  19  10.010   2.158  10.168
  148    HA3  GLY  19           HA1      GLY  19  11.476   2.424   9.213
  149    H    GLU  20           HN       GLU  20  10.049   4.042  11.242
  150    HA   GLU  20           HA       GLU  20   8.905   6.246   9.816
  151    HB2  GLU  20           HB2      GLU  20   8.170   5.632  12.095
  152    HB3  GLU  20           HB1      GLU  20   9.770   6.024  12.709
  153    HG2  GLU  20           HG2      GLU  20   9.466   8.331  12.067
  154    HG3  GLU  20           HG1      GLU  20   7.881   7.947  11.397
  155    H    THR  21           HN       THR  21  10.056   7.621   8.735
  156    HA   THR  21           HA       THR  21  11.737   8.854   7.895
  157    HB   THR  21           HB       THR  21  12.911   8.948  10.714
  158    HG1  THR  21           HG1      THR  21  11.502  10.828  10.893
  159   HG21  THR  21          HG21      THR  21  12.837  11.003   8.477
  160   HG22  THR  21          HG22      THR  21  14.244  10.032   8.910
  161   HG23  THR  21          HG23      THR  21  13.610  11.217  10.049
  162    H    ASP  22           HN       ASP  22  11.907   6.031   7.875
  163    HA   ASP  22           HA       ASP  22  14.433   4.956   8.421
  164    HB2  ASP  22           HB2      ASP  22  12.663   3.465   7.913
  165    HB3  ASP  22           HB1      ASP  22  12.352   4.248   6.372
  166    H    GLY  23           HN       GLY  23  13.221   6.481   5.500
  167    HA2  GLY  23           HA2      GLY  23  14.980   7.913   4.382
  168    HA3  GLY  23           HA1      GLY  23  15.967   6.450   4.452
  169    H    THR  24           HN       THR  24  13.082   5.226   4.042
  170    HA   THR  24           HA       THR  24  13.323   4.629   1.342
  171    HB   THR  24           HB       THR  24  10.719   4.148   2.275
  172    HG1  THR  24           HG1      THR  24  12.513   3.413   4.341
  173   HG21  THR  24          HG21      THR  24  11.563   1.839   2.517
  174   HG22  THR  24          HG22      THR  24  13.214   2.467   2.480
  175   HG23  THR  24          HG23      THR  24  12.197   2.594   1.047
  176    H    ASP  25           HN       ASP  25  13.070   6.200  -0.134
  177    HA   ASP  25           HA       ASP  25  11.425   8.520   0.391
  178    HB2  ASP  25           HB2      ASP  25  13.186   7.863  -1.978
  179    HB3  ASP  25           HB1      ASP  25  12.241   9.333  -1.836
  180    H    LEU  26           HN       LEU  26   9.325   8.005   0.277
  181    HA   LEU  26           HA       LEU  26   8.350   7.081  -2.332
  182    HB2  LEU  26           HB2      LEU  26   6.919   7.216   0.349
  183    HB3  LEU  26           HB1      LEU  26   6.160   6.754  -1.152
  184    HG   LEU  26           HG       LEU  26   6.457   4.772  -0.012
  185   HD11  LEU  26          HD11      LEU  26   7.115   4.501  -2.265
  186   HD12  LEU  26          HD12      LEU  26   8.088   3.451  -1.232
  187   HD13  LEU  26          HD13      LEU  26   8.778   4.939  -1.881
  188   HD21  LEU  26          HD21      LEU  26   9.283   5.568   0.672
  189   HD22  LEU  26          HD22      LEU  26   8.537   4.018   1.061
  190   HD23  LEU  26          HD23      LEU  26   7.910   5.504   1.778
  191    H    SER  27           HN       SER  27   9.320   9.702  -1.146
  192    HA   SER  27           HA       SER  27   7.017  11.396  -1.402
  193    HB2  SER  27           HB2      SER  27   9.864  11.982  -0.890
  194    HB3  SER  27           HB1      SER  27   8.563  13.178  -0.779
  195    HG   SER  27           HG       SER  27   9.368  11.336   1.046
  196    H    GLY  28           HN       GLY  28   6.517  12.555  -3.075
  197    HA2  GLY  28           HA2      GLY  28   6.648  13.695  -5.073
  198    HA3  GLY  28           HA1      GLY  28   8.389  13.461  -5.037
  199    H    ASP  29           HN       ASP  29   5.469  11.436  -5.395
  200    HA   ASP  29           HA       ASP  29   4.791  10.018  -6.929
  201    HB2  ASP  29           HB2      ASP  29   6.899  11.313  -8.572
  202    HB3  ASP  29           HB1      ASP  29   6.332   9.726  -9.078
  203    H    PHE  30           HN       PHE  30   4.777   8.188  -6.152
  204    HA   PHE  30           HA       PHE  30   7.232   6.578  -6.290
  205    HB2  PHE  30           HB2      PHE  30   6.872   5.650  -4.108
  206    HB3  PHE  30           HB1      PHE  30   6.859   7.398  -3.964
  207    HD1  PHE  30           HD2      PHE  30   4.506   8.524  -3.891
  208    HD2  PHE  30           HD1      PHE  30   5.173   4.383  -3.197
  209    HE1  PHE  30           HE2      PHE  30   2.364   8.380  -2.698
  210    HE2  PHE  30           HE1      PHE  30   3.030   4.241  -2.003
  211    HZ   PHE  30           HZ       PHE  30   1.627   6.240  -1.756
  212    H    LEU  31           HN       LEU  31   4.204   6.868  -7.436
  213    HA   LEU  31           HA       LEU  31   3.120   4.294  -6.845
  214    HB2  LEU  31           HB2      LEU  31   2.368   6.297  -8.965
  215    HB3  LEU  31           HB1      LEU  31   1.467   4.835  -8.633
  216    HG   LEU  31           HG       LEU  31   1.841   7.181  -6.770
  217   HD11  LEU  31          HD11      LEU  31  -0.567   7.487  -7.076
  218   HD12  LEU  31          HD12      LEU  31  -0.578   6.167  -8.247
  219   HD13  LEU  31          HD13      LEU  31   0.321   7.645  -8.592
  220   HD21  LEU  31          HD21      LEU  31   0.266   6.020  -5.288
  221   HD22  LEU  31          HD22      LEU  31   1.746   5.090  -5.510
  222   HD23  LEU  31          HD23      LEU  31   0.277   4.629  -6.370
  223    H    ASP  32           HN       ASP  32   5.260   5.515  -9.189
  224    HA   ASP  32           HA       ASP  32   4.906   3.287 -11.026
  225    HB2  ASP  32           HB2      ASP  32   6.785   5.651 -11.114
  226    HB3  ASP  32           HB1      ASP  32   6.689   4.417 -12.362
  227    H    LEU  33           HN       LEU  33   6.366   3.440  -8.195
  228    HA   LEU  33           HA       LEU  33   8.979   2.372  -8.786
  229    HB2  LEU  33           HB2      LEU  33   7.368   2.469  -6.276
  230    HB3  LEU  33           HB1      LEU  33   9.046   1.946  -6.332
  231    HG   LEU  33           HG       LEU  33   7.943   4.708  -6.813
  232   HD11  LEU  33          HD11      LEU  33   9.825   3.616  -4.731
  233   HD12  LEU  33          HD12      LEU  33   8.139   4.076  -4.485
  234   HD13  LEU  33          HD13      LEU  33   9.338   5.305  -4.889
  235   HD21  LEU  33          HD21      LEU  33   9.750   4.308  -8.400
  236   HD22  LEU  33          HD22      LEU  33  10.798   3.766  -7.088
  237   HD23  LEU  33          HD23      LEU  33  10.260   5.445  -7.150
  238    H    ARG  34           HN       ARG  34   9.597   0.257  -7.775
  239    HA   ARG  34           HA       ARG  34   7.399  -1.713  -7.872
  240    HB2  ARG  34           HB2      ARG  34  10.326  -2.124  -8.495
  241    HB3  ARG  34           HB1      ARG  34   9.148  -3.413  -8.359
  242    HG2  ARG  34           HG2      ARG  34   7.964  -2.541 -10.293
  243    HG3  ARG  34           HG1      ARG  34   9.133  -1.215 -10.405
  244    HD2  ARG  34           HD2      ARG  34   9.775  -4.151 -10.593
  245    HD3  ARG  34           HD1      ARG  34   9.683  -3.030 -11.954
  246    HE   ARG  34           HE       ARG  34  11.481  -1.772 -10.738
  247   HH11  ARG  34          HH11      ARG  34  11.163  -5.290 -10.298
  248   HH12  ARG  34          HH12      ARG  34  12.835  -5.586 -10.173
  249   HH21  ARG  34          HH21      ARG  34  13.801  -2.184 -10.498
  250   HH22  ARG  34          HH22      ARG  34  14.369  -3.780 -10.307
  251    H    PHE  35           HN       PHE  35   7.268  -3.079  -6.151
  252    HA   PHE  35           HA       PHE  35   8.442  -2.153  -3.762
  253    HB2  PHE  35           HB2      PHE  35   6.858  -4.650  -4.318
  254    HB3  PHE  35           HB1      PHE  35   7.416  -4.189  -2.710
  255    HD1  PHE  35           HD1      PHE  35   6.849  -1.648  -2.107
  256    HD2  PHE  35           HD2      PHE  35   4.732  -4.076  -4.878
  257    HE1  PHE  35           HE1      PHE  35   4.860  -0.245  -1.815
  258    HE2  PHE  35           HE2      PHE  35   2.743  -2.673  -4.596
  259    HZ   PHE  35           HZ       PHE  35   2.845  -0.695  -3.068
  260    H    GLU  36           HN       GLU  36   9.096  -4.995  -5.727
  261    HA   GLU  36           HA       GLU  36  11.122  -6.083  -4.112
  262    HB2  GLU  36           HB2      GLU  36  10.064  -7.279  -6.007
  263    HB3  GLU  36           HB1      GLU  36  10.867  -6.193  -7.129
  264    HG2  GLU  36           HG2      GLU  36  11.984  -8.352  -7.000
  265    HG3  GLU  36           HG1      GLU  36  13.034  -7.049  -6.442
  266    H    ASP  37           HN       ASP  37  11.161  -3.550  -6.480
  267    HA   ASP  37           HA       ASP  37  13.973  -3.230  -6.714
  268    HB2  ASP  37           HB2      ASP  37  12.450  -2.284  -8.364
  269    HB3  ASP  37           HB1      ASP  37  11.745  -1.238  -7.143
  270    H    ILE  38           HN       ILE  38  11.557  -1.816  -4.561
  271    HA   ILE  38           HA       ILE  38  13.664  -0.263  -3.304
  272    HB   ILE  38           HB       ILE  38  11.884   0.934  -2.057
  273   HG12  ILE  38          HG12      ILE  38  10.007  -0.713  -3.786
  274   HG13  ILE  38          HG11      ILE  38  10.182  -0.857  -2.043
  275   HG21  ILE  38          HG21      ILE  38  12.760   1.823  -4.130
  276   HG22  ILE  38          HG22      ILE  38  11.035   2.176  -4.011
  277   HG23  ILE  38          HG23      ILE  38  11.603   0.864  -5.051
  278   HD11  ILE  38          HD11      ILE  38   9.144   1.550  -3.530
  279   HD12  ILE  38          HD12      ILE  38   9.315   1.423  -1.780
  280   HD13  ILE  38          HD13      ILE  38   8.177   0.380  -2.633
  281    H    GLY  39           HN       GLY  39  13.047  -3.227  -2.901
  282    HA2  GLY  39           HA2      GLY  39  13.808  -4.613  -1.199
  283    HA3  GLY  39           HA1      GLY  39  14.040  -3.191  -0.198
  284    H    TYR  40           HN       TYR  40  10.967  -3.966  -1.661
  285    HA   TYR  40           HA       TYR  40   9.889  -4.492   1.010
  286    HB2  TYR  40           HB2      TYR  40   8.717  -3.379  -1.492
  287    HB3  TYR  40           HB1      TYR  40   7.673  -4.246  -0.385
  288    HD1  TYR  40           HD1      TYR  40  10.256  -1.530  -0.259
  289    HD2  TYR  40           HD2      TYR  40   6.508  -2.989   1.112
  290    HE1  TYR  40           HE1      TYR  40   9.910   0.550   1.003
  291    HE2  TYR  40           HE2      TYR  40   6.144  -0.937   2.379
  292    HH   TYR  40           HH       TYR  40   7.462   0.929   3.339
  293    H    ASP  41           HN       ASP  41   8.803  -6.277   1.443
  294    HA   ASP  41           HA       ASP  41   8.695  -8.407  -0.582
  295    HB2  ASP  41           HB2      ASP  41   9.971  -8.966   1.400
  296    HB3  ASP  41           HB1      ASP  41   8.621  -8.558   2.468
  297    H    SER  42           HN       SER  42   6.773  -9.806  -0.272
  298    HA   SER  42           HA       SER  42   4.407  -8.273  -0.555
  299    HB2  SER  42           HB2      SER  42   3.359 -10.598  -0.550
  300    HB3  SER  42           HB1      SER  42   4.510 -10.245  -1.839
  301    H    LEU  43           HN       LEU  43   5.839 -10.069   2.113
  302    HA   LEU  43           HA       LEU  43   3.501 -10.145   3.728
  303    HB2  LEU  43           HB2      LEU  43   5.682 -11.475   4.010
  304    HB3  LEU  43           HB1      LEU  43   6.298 -10.039   4.810
  305    HG   LEU  43           HG       LEU  43   4.266 -10.213   6.322
  306   HD11  LEU  43          HD11      LEU  43   4.195 -12.962   5.100
  307   HD12  LEU  43          HD12      LEU  43   2.957 -11.728   5.003
  308   HD13  LEU  43          HD13      LEU  43   3.320 -12.486   6.558
  309   HD21  LEU  43          HD21      LEU  43   5.372 -11.863   7.781
  310   HD22  LEU  43          HD22      LEU  43   6.486 -10.686   7.111
  311   HD23  LEU  43          HD23      LEU  43   6.430 -12.325   6.440
  312    H    ALA  44           HN       ALA  44   6.048  -7.855   3.217
  313    HA   ALA  44           HA       ALA  44   5.510  -6.076   5.334
  314    HB1  ALA  44           HB1      ALA  44   7.580  -5.981   4.025
  315    HB2  ALA  44           HB2      ALA  44   6.751  -4.423   4.003
  316    HB3  ALA  44           HB3      ALA  44   6.661  -5.492   2.601
  317    H    LEU  45           HN       LEU  45   4.280  -6.418   2.102
  318    HA   LEU  45           HA       LEU  45   2.727  -4.076   2.028
  319    HB2  LEU  45           HB2      LEU  45   2.399  -6.649   0.502
  320    HB3  LEU  45           HB1      LEU  45   1.606  -5.136   0.110
  321    HG   LEU  45           HG       LEU  45   4.578  -5.628   0.059
  322   HD11  LEU  45          HD11      LEU  45   2.597  -5.228  -2.171
  323   HD12  LEU  45          HD12      LEU  45   3.409  -6.742  -1.764
  324   HD13  LEU  45          HD13      LEU  45   4.345  -5.366  -2.354
  325   HD21  LEU  45          HD21      LEU  45   4.047  -3.352   0.703
  326   HD22  LEU  45          HD22      LEU  45   2.965  -3.197  -0.682
  327   HD23  LEU  45          HD23      LEU  45   4.701  -3.396  -0.936
  328    H    MET  46           HN       MET  46   2.178  -7.240   3.324
  329    HA   MET  46           HA       MET  46  -0.655  -7.225   3.600
  330    HB2  MET  46           HB2      MET  46   1.337  -8.470   5.514
  331    HB3  MET  46           HB1      MET  46  -0.352  -8.899   5.340
  332    HG2  MET  46           HG2      MET  46   1.768  -9.287   3.257
  333    HG3  MET  46           HG1      MET  46   1.181 -10.527   4.356
  334    HE1  MET  46           HE1      MET  46   1.343 -10.774   1.215
  335    HE2  MET  46           HE2      MET  46  -0.189 -11.580   0.874
  336    HE3  MET  46           HE3      MET  46   0.770 -12.063   2.272
  337    H    GLU  47           HN       GLU  47   1.993  -6.205   5.591
  338    HA   GLU  47           HA       GLU  47   0.602  -5.357   7.890
  339    HB2  GLU  47           HB2      GLU  47   3.096  -5.969   7.437
  340    HB3  GLU  47           HB1      GLU  47   3.246  -4.314   6.897
  341    HG2  GLU  47           HG2      GLU  47   2.344  -5.127   9.640
  342    HG3  GLU  47           HG1      GLU  47   4.013  -4.793   9.199
  343    H    THR  48           HN       THR  48   1.956  -3.636   5.077
  344    HA   THR  48           HA       THR  48   1.141  -1.043   5.576
  345    HB   THR  48           HB       THR  48   1.276  -2.502   2.919
  346    HG1  THR  48           HG1      THR  48   3.196  -1.465   4.675
  347   HG21  THR  48          HG21      THR  48   1.540   0.449   3.566
  348   HG22  THR  48          HG22      THR  48   0.182  -0.313   2.732
  349   HG23  THR  48          HG23      THR  48   1.772  -0.285   1.978
  350    H    ALA  49           HN       ALA  49  -0.571  -3.554   3.663
  351    HA   ALA  49           HA       ALA  49  -2.871  -2.125   3.067
  352    HB1  ALA  49           HB1      ALA  49  -2.630  -5.104   3.478
  353    HB2  ALA  49           HB2      ALA  49  -2.259  -4.244   1.984
  354    HB3  ALA  49           HB3      ALA  49  -3.912  -4.276   2.595
  355    H    ALA  50           HN       ALA  50  -2.246  -4.294   5.806
  356    HA   ALA  50           HA       ALA  50  -4.724  -4.373   7.032
  357    HB1  ALA  50           HB1      ALA  50  -3.540  -4.879   9.095
  358    HB2  ALA  50           HB2      ALA  50  -2.052  -4.230   8.408
  359    HB3  ALA  50           HB3      ALA  50  -2.770  -5.694   7.728
  360    H    ARG  51           HN       ARG  51  -2.199  -1.988   7.376
  361    HA   ARG  51           HA       ARG  51  -3.265  -0.425   9.450
  362    HB2  ARG  51           HB2      ARG  51  -0.942  -0.308   8.692
  363    HB3  ARG  51           HB1      ARG  51  -1.459   0.336   7.148
  364    HG2  ARG  51           HG2      ARG  51  -2.370   2.314   8.389
  365    HG3  ARG  51           HG1      ARG  51  -1.596   1.661   9.838
  366    HD2  ARG  51           HD2      ARG  51   0.555   1.741   8.777
  367    HD3  ARG  51           HD1      ARG  51  -0.162   2.271   7.263
  368    HE   ARG  51           HE       ARG  51   0.553   3.912   9.475
  369   HH11  ARG  51          HH11      ARG  51  -1.930   3.644   6.981
  370   HH12  ARG  51          HH12      ARG  51  -2.267   5.312   6.905
  371   HH21  ARG  51          HH21      ARG  51   0.244   6.203   9.263
  372   HH22  ARG  51          HH22      ARG  51  -0.994   6.832   8.276
  373    H    LEU  52           HN       LEU  52  -3.690  -0.334   5.965
  374    HA   LEU  52           HA       LEU  52  -5.204   2.101   6.088
  375    HB2  LEU  52           HB2      LEU  52  -4.618   0.270   3.773
  376    HB3  LEU  52           HB1      LEU  52  -5.475   1.797   3.645
  377    HG   LEU  52           HG       LEU  52  -2.617   1.468   4.562
  378   HD11  LEU  52          HD11      LEU  52  -2.044   2.573   2.475
  379   HD12  LEU  52          HD12      LEU  52  -3.745   2.587   2.015
  380   HD13  LEU  52          HD13      LEU  52  -2.887   1.052   2.180
  381   HD21  LEU  52          HD21      LEU  52  -3.724   3.347   5.649
  382   HD22  LEU  52          HD22      LEU  52  -4.251   3.958   4.081
  383   HD23  LEU  52          HD23      LEU  52  -2.533   3.910   4.476
  384    H    GLU  53           HN       GLU  53  -5.967  -1.335   5.356
  385    HA   GLU  53           HA       GLU  53  -8.631  -1.185   4.826
  386    HB2  GLU  53           HB2      GLU  53  -7.376  -3.211   6.642
  387    HB3  GLU  53           HB1      GLU  53  -8.858  -3.387   5.732
  388    HG2  GLU  53           HG2      GLU  53  -7.560  -3.335   3.669
  389    HG3  GLU  53           HG1      GLU  53  -6.093  -3.173   4.626
  390    H    SER  54           HN       SER  54  -7.029  -1.271   7.962
  391    HA   SER  54           HA       SER  54  -9.233  -1.658   9.582
  392    HB2  SER  54           HB2      SER  54  -6.813  -1.931  10.189
  393    HB3  SER  54           HB1      SER  54  -6.706  -0.178  10.324
  394    HG   SER  54           HG       SER  54  -8.120  -2.029  11.870
  395    H    ARG  55           HN       ARG  55  -8.137   1.395   8.078
  396    HA   ARG  55           HA       ARG  55  -9.775   2.922   9.846
  397    HB2  ARG  55           HB2      ARG  55  -8.049   3.577   7.504
  398    HB3  ARG  55           HB1      ARG  55  -9.010   4.747   8.372
  399    HG2  ARG  55           HG2      ARG  55  -7.728   4.106  10.441
  400    HG3  ARG  55           HG1      ARG  55  -6.680   3.142   9.390
  401    HD2  ARG  55           HD2      ARG  55  -5.662   5.297   9.731
  402    HD3  ARG  55           HD1      ARG  55  -6.216   5.176   8.065
  403    HE   ARG  55           HE       ARG  55  -7.808   6.526  10.133
  404   HH11  ARG  55          HH11      ARG  55  -6.207   6.610   6.968
  405   HH12  ARG  55          HH12      ARG  55  -6.920   8.086   6.492
  406   HH21  ARG  55          HH21      ARG  55  -8.717   8.607   9.508
  407   HH22  ARG  55          HH22      ARG  55  -8.347   9.279   7.988
  408    H    TYR  56           HN       TYR  56  -9.981   1.409   6.759
  409    HA   TYR  56           HA       TYR  56 -12.263   3.116   6.051
  410    HB2  TYR  56           HB2      TYR  56 -10.526   1.372   4.308
  411    HB3  TYR  56           HB1      TYR  56 -11.959   2.212   3.732
  412    HD1  TYR  56           HD2      TYR  56 -12.017   4.703   3.756
  413    HD2  TYR  56           HD1      TYR  56  -8.462   2.530   4.593
  414    HE1  TYR  56           HE2      TYR  56 -10.690   6.719   3.345
  415    HE2  TYR  56           HE1      TYR  56  -7.131   4.550   4.185
  416    HH   TYR  56           HH       TYR  56  -7.337   6.664   2.964
  417    H    GLY  57           HN       GLY  57 -11.569   0.087   7.241
  418    HA2  GLY  57           HA2      GLY  57 -12.989  -1.547   7.949
  419    HA3  GLY  57           HA1      GLY  57 -14.328  -0.627   7.289
  420    H    VAL  58           HN       VAL  58 -11.577  -1.592   5.386
  421    HA   VAL  58           HA       VAL  58 -13.437  -3.204   3.806
  422    HB   VAL  58           HB       VAL  58 -11.915  -3.021   1.896
  423   HG11  VAL  58          HG11      VAL  58 -12.060  -0.634   1.458
  424   HG12  VAL  58          HG12      VAL  58 -12.350  -0.339   3.168
  425   HG13  VAL  58          HG13      VAL  58 -13.550  -1.226   2.212
  426   HG21  VAL  58          HG21      VAL  58 -10.163  -1.350   3.684
  427   HG22  VAL  58          HG22      VAL  58  -9.898  -1.652   1.964
  428   HG23  VAL  58          HG23      VAL  58  -9.786  -2.981   3.124
  429    H    SER  59           HN       SER  59 -12.293  -5.100   2.591
  430    HA   SER  59           HA       SER  59 -10.350  -6.420   4.311
  431    HB2  SER  59           HB2      SER  59 -12.914  -7.671   3.275
  432    HB3  SER  59           HB1      SER  59 -11.657  -8.499   4.191
  433    HG   SER  59           HG       SER  59 -13.420  -6.446   5.065
  434    H    ILE  60           HN       ILE  60  -8.671  -6.732   2.947
  435    HA   ILE  60           HA       ILE  60  -9.297  -7.457   0.179
  436    HB   ILE  60           HB       ILE  60  -6.910  -5.942   1.273
  437   HG12  ILE  60          HG12      ILE  60  -9.145  -5.088  -0.589
  438   HG13  ILE  60          HG11      ILE  60  -8.993  -4.633   1.103
  439   HG21  ILE  60          HG21      ILE  60  -6.169  -5.739  -1.061
  440   HG22  ILE  60          HG22      ILE  60  -7.485  -6.796  -1.565
  441   HG23  ILE  60          HG23      ILE  60  -6.201  -7.420  -0.532
  442   HD11  ILE  60          HD11      ILE  60  -6.931  -3.427   0.583
  443   HD12  ILE  60          HD12      ILE  60  -8.294  -2.839  -0.367
  444   HD13  ILE  60          HD13      ILE  60  -7.093  -3.895  -1.111
  445    HA   PRO  61           HA       PRO  61  -7.551 -11.528   0.974
  446    HB2  PRO  61           HB2      PRO  61  -6.986 -11.135  -1.922
  447    HB3  PRO  61           HB1      PRO  61  -7.661 -12.551  -1.128
  448    HG2  PRO  61           HG2      PRO  61  -9.251 -10.944  -2.448
  449    HG3  PRO  61           HG1      PRO  61  -9.753 -11.515  -0.844
  450    HD2  PRO  61           HD2      PRO  61  -8.696  -8.846  -1.660
  451    HD3  PRO  61           HD1      PRO  61  -9.958  -9.249  -0.474
  452    H    ASP  62           HN       ASP  62  -5.590 -12.107   1.542
  453    HA   ASP  62           HA       ASP  62  -3.326 -10.470   1.135
  454    HB2  ASP  62           HB2      ASP  62  -1.956 -12.298   2.180
  455    HB3  ASP  62           HB1      ASP  62  -3.327 -11.793   3.140
  456    H    ASP  63           HN       ASP  63  -4.637 -13.009  -0.699
  457    HA   ASP  63           HA       ASP  63  -2.610 -13.793  -2.450
  458    HB2  ASP  63           HB2      ASP  63  -5.459 -13.057  -3.149
  459    HB3  ASP  63           HB1      ASP  63  -4.355 -13.927  -4.193
  460    H    VAL  64           HN       VAL  64  -4.672 -11.000  -2.395
  461    HA   VAL  64           HA       VAL  64  -3.664  -9.966  -4.862
  462    HB   VAL  64           HB       VAL  64  -5.679  -8.764  -2.952
  463   HG11  VAL  64          HG11      VAL  64  -4.700  -7.129  -4.448
  464   HG12  VAL  64          HG12      VAL  64  -6.383  -7.447  -4.877
  465   HG13  VAL  64          HG13      VAL  64  -5.078  -8.150  -5.833
  466   HG21  VAL  64          HG21      VAL  64  -7.373  -9.644  -4.491
  467   HG22  VAL  64          HG22      VAL  64  -6.420 -10.937  -3.763
  468   HG23  VAL  64          HG23      VAL  64  -6.104 -10.439  -5.425
  469    H    ALA  65           HN       ALA  65  -3.524  -9.246  -1.419
  470    HA   ALA  65           HA       ALA  65  -2.240  -6.768  -1.445
  471    HB1  ALA  65           HB1      ALA  65  -1.827  -9.015   0.515
  472    HB2  ALA  65           HB2      ALA  65  -3.122  -7.813   0.607
  473    HB3  ALA  65           HB3      ALA  65  -1.428  -7.324   0.787
  474    H    GLY  66           HN       GLY  66  -0.875 -10.034  -1.525
  475    HA2  GLY  66           HA2      GLY  66   1.751  -8.857  -2.022
  476    HA3  GLY  66           HA1      GLY  66   1.436 -10.556  -1.645
  477    H    ARG  67           HN       ARG  67  -0.288  -8.635  -4.014
  478    HA   ARG  67           HA       ARG  67   0.986 -10.237  -6.126
  479    HB2  ARG  67           HB2      ARG  67  -1.435 -10.649  -5.657
  480    HB3  ARG  67           HB1      ARG  67  -1.752  -8.981  -6.099
  481    HG2  ARG  67           HG2      ARG  67  -0.838  -9.464  -8.333
  482    HG3  ARG  67           HG1      ARG  67  -0.710 -11.164  -7.855
  483    HD2  ARG  67           HD2      ARG  67  -2.786 -10.809  -9.068
  484    HD3  ARG  67           HD1      ARG  67  -3.132 -11.188  -7.379
  485    HE   ARG  67           HE       ARG  67  -2.945  -8.410  -7.712
  486   HH11  ARG  67          HH11      ARG  67  -5.240 -11.100  -8.231
  487   HH12  ARG  67          HH12      ARG  67  -6.569 -10.072  -8.443
  488   HH21  ARG  67          HH21      ARG  67  -4.826  -7.028  -7.998
  489   HH22  ARG  67          HH22      ARG  67  -6.343  -7.729  -8.330
  490    H    VAL  68           HN       VAL  68   0.367  -7.132  -4.854
  491    HA   VAL  68           HA       VAL  68   0.468  -5.673  -7.313
  492    HB   VAL  68           HB       VAL  68   0.475  -3.646  -5.885
  493   HG11  VAL  68          HG11      VAL  68  -1.641  -4.682  -6.443
  494   HG12  VAL  68          HG12      VAL  68  -1.711  -3.992  -4.822
  495   HG13  VAL  68          HG13      VAL  68  -1.524  -5.736  -5.035
  496   HG21  VAL  68          HG21      VAL  68   0.546  -5.579  -3.557
  497   HG22  VAL  68          HG22      VAL  68   0.287  -3.837  -3.441
  498   HG23  VAL  68          HG23      VAL  68   1.834  -4.461  -4.008
  499    H    ASP  69           HN       ASP  69   2.186  -4.912  -8.381
  500    HA   ASP  69           HA       ASP  69   4.842  -5.458  -7.253
  501    HB2  ASP  69           HB2      ASP  69   4.394  -6.390  -9.468
  502    HB3  ASP  69           HB1      ASP  69   3.966  -4.795 -10.071
  503    H    THR  70           HN       THR  70   2.849  -2.925  -8.566
  504    HA   THR  70           HA       THR  70   4.893  -0.996  -7.785
  505    HB   THR  70           HB       THR  70   3.671   0.566  -9.309
  506    HG1  THR  70           HG1      THR  70   2.368  -1.471 -10.623
  507   HG21  THR  70          HG21      THR  70   5.601  -0.665 -10.155
  508   HG22  THR  70          HG22      THR  70   4.382  -0.518 -11.427
  509   HG23  THR  70          HG23      THR  70   4.572  -2.038 -10.542
  510    HA   PRO  71           HA       PRO  71   2.225   0.425  -4.473
  511    HB2  PRO  71           HB2      PRO  71   3.163   3.138  -5.292
  512    HB3  PRO  71           HB1      PRO  71   3.175   2.384  -3.692
  513    HG2  PRO  71           HG2      PRO  71   5.430   2.585  -5.036
  514    HG3  PRO  71           HG1      PRO  71   5.041   1.071  -4.187
  515    HD2  PRO  71           HD2      PRO  71   4.786   1.723  -7.104
  516    HD3  PRO  71           HD1      PRO  71   5.445   0.258  -6.339
  517    H    ARG  72           HN       ARG  72   2.190   1.836  -7.653
  518    HA   ARG  72           HA       ARG  72  -0.234   3.245  -7.598
  519    HB2  ARG  72           HB2      ARG  72   1.299   3.119  -9.595
  520    HB3  ARG  72           HB1      ARG  72   0.675   1.501  -9.905
  521    HG2  ARG  72           HG2      ARG  72  -1.630   2.556  -9.992
  522    HG3  ARG  72           HG1      ARG  72  -0.807   4.113 -10.035
  523    HD2  ARG  72           HD2      ARG  72  -0.486   1.866 -12.015
  524    HD3  ARG  72           HD1      ARG  72  -1.401   3.345 -12.272
  525    HE   ARG  72           HE       ARG  72   1.188   4.114 -11.653
  526   HH11  ARG  72          HH11      ARG  72  -0.550   2.444 -14.281
  527   HH12  ARG  72          HH12      ARG  72   0.699   2.712 -15.417
  528   HH21  ARG  72          HH21      ARG  72   2.918   4.457 -13.341
  529   HH22  ARG  72          HH22      ARG  72   2.586   3.811 -14.881
  530    H    GLU  73           HN       GLU  73   0.343  -0.227  -8.224
  531    HA   GLU  73           HA       GLU  73  -2.350  -0.978  -8.568
  532    HB2  GLU  73           HB2      GLU  73  -0.004  -2.598  -7.595
  533    HB3  GLU  73           HB1      GLU  73  -1.565  -3.272  -8.022
  534    HG2  GLU  73           HG2      GLU  73  -1.257  -2.499 -10.314
  535    HG3  GLU  73           HG1      GLU  73   0.321  -1.840  -9.866
  536    H    LEU  74           HN       LEU  74  -0.297  -0.737  -5.744
  537    HA   LEU  74           HA       LEU  74  -2.009  -2.010  -3.886
  538    HB2  LEU  74           HB2      LEU  74   0.500  -1.208  -3.697
  539    HB3  LEU  74           HB1      LEU  74  -0.199   0.293  -3.146
  540    HG   LEU  74           HG       LEU  74  -0.415  -2.401  -1.768
  541   HD11  LEU  74          HD11      LEU  74   0.937  -1.377  -0.032
  542   HD12  LEU  74          HD12      LEU  74   1.089   0.078  -1.015
  543   HD13  LEU  74          HD13      LEU  74   1.768  -1.446  -1.585
  544   HD21  LEU  74          HD21      LEU  74  -1.465  -1.206   0.093
  545   HD22  LEU  74          HD22      LEU  74  -2.447  -1.080  -1.368
  546   HD23  LEU  74          HD23      LEU  74  -1.457   0.284  -0.850
  547    H    LEU  75           HN       LEU  75  -1.633   1.384  -4.857
  548    HA   LEU  75           HA       LEU  75  -3.636   2.497  -3.215
  549    HB2  LEU  75           HB2      LEU  75  -1.862   3.771  -4.497
  550    HB3  LEU  75           HB1      LEU  75  -2.773   3.425  -5.947
  551    HG   LEU  75           HG       LEU  75  -4.660   4.723  -5.113
  552   HD11  LEU  75          HD11      LEU  75  -4.348   4.387  -2.738
  553   HD12  LEU  75          HD12      LEU  75  -4.424   6.108  -3.120
  554   HD13  LEU  75          HD13      LEU  75  -2.869   5.349  -2.774
  555   HD21  LEU  75          HD21      LEU  75  -3.615   6.934  -5.289
  556   HD22  LEU  75          HD22      LEU  75  -2.975   5.808  -6.488
  557   HD23  LEU  75          HD23      LEU  75  -2.030   6.198  -5.054
  558    H    ASP  76           HN       ASP  76  -3.657   1.528  -6.617
  559    HA   ASP  76           HA       ASP  76  -6.274   1.999  -7.330
  560    HB2  ASP  76           HB2      ASP  76  -4.620   1.379  -8.967
  561    HB3  ASP  76           HB1      ASP  76  -4.406  -0.201  -8.215
  562    H    LEU  77           HN       LEU  77  -4.905  -0.911  -5.933
  563    HA   LEU  77           HA       LEU  77  -7.084  -2.585  -5.873
  564    HB2  LEU  77           HB2      LEU  77  -4.917  -3.377  -5.345
  565    HB3  LEU  77           HB1      LEU  77  -4.750  -2.244  -4.027
  566    HG   LEU  77           HG       LEU  77  -6.403  -3.490  -2.731
  567   HD11  LEU  77          HD11      LEU  77  -7.758  -4.345  -4.560
  568   HD12  LEU  77          HD12      LEU  77  -7.211  -5.651  -3.507
  569   HD13  LEU  77          HD13      LEU  77  -6.429  -5.388  -5.066
  570   HD21  LEU  77          HD21      LEU  77  -4.172  -5.180  -3.850
  571   HD22  LEU  77          HD22      LEU  77  -5.032  -5.478  -2.338
  572   HD23  LEU  77          HD23      LEU  77  -4.044  -4.030  -2.519
  573    H    ILE  78           HN       ILE  78  -6.037  -0.336  -3.327
  574    HA   ILE  78           HA       ILE  78  -8.303  -1.013  -1.741
  575    HB   ILE  78           HB       ILE  78  -6.390   1.305  -1.301
  576   HG12  ILE  78          HG12      ILE  78  -6.327  -1.533  -0.235
  577   HG13  ILE  78          HG11      ILE  78  -5.230  -0.870  -1.437
  578   HG21  ILE  78          HG21      ILE  78  -7.159   1.141   1.047
  579   HG22  ILE  78          HG22      ILE  78  -8.266  -0.152   0.592
  580   HG23  ILE  78          HG23      ILE  78  -8.511   1.479  -0.036
  581   HD11  ILE  78          HD11      ILE  78  -4.357   0.679   0.227
  582   HD12  ILE  78          HD12      ILE  78  -4.183  -0.994   0.749
  583   HD13  ILE  78          HD13      ILE  78  -5.463   0.015   1.430
  584    H    ASN  79           HN       ASN  79  -7.464   1.674  -3.885
  585    HA   ASN  79           HA       ASN  79  -9.708   3.315  -3.370
  586    HB2  ASN  79           HB2      ASN  79  -8.171   2.925  -5.955
  587    HB3  ASN  79           HB1      ASN  79  -9.442   4.111  -5.760
  588   HD21  ASN  79          HD21      ASN  79  -8.595   4.854  -3.020
  589   HD22  ASN  79          HD22      ASN  79  -7.134   5.757  -3.268
  590    H    GLY  80           HN       GLY  80  -9.248   0.545  -5.428
  591    HA2  GLY  80           HA2      GLY  80 -11.669   0.507  -6.804
  592    HA3  GLY  80           HA1      GLY  80 -10.722  -0.916  -6.391
  593    H    ALA  81           HN       ALA  81 -10.823  -1.034  -3.749
  594    HA   ALA  81           HA       ALA  81 -13.403  -2.033  -3.179
  595    HB1  ALA  81           HB1      ALA  81 -11.380  -2.890  -2.083
  596    HB2  ALA  81           HB2      ALA  81 -12.574  -2.362  -0.898
  597    HB3  ALA  81           HB3      ALA  81 -11.175  -1.346  -1.256
  598    H    LEU  82           HN       LEU  82 -11.774   0.992  -2.407
  599    HA   LEU  82           HA       LEU  82 -13.661   2.039  -0.657
  600    HB2  LEU  82           HB2      LEU  82 -11.588   3.252  -2.416
  601    HB3  LEU  82           HB1      LEU  82 -12.563   4.209  -1.334
  602    HG   LEU  82           HG       LEU  82 -10.642   2.011  -0.572
  603   HD11  LEU  82          HD11      LEU  82  -9.370   3.798   0.497
  604   HD12  LEU  82          HD12      LEU  82 -10.523   4.985  -0.114
  605   HD13  LEU  82          HD13      LEU  82  -9.529   4.059  -1.241
  606   HD21  LEU  82          HD21      LEU  82 -12.373   3.745   1.183
  607   HD22  LEU  82          HD22      LEU  82 -11.134   2.625   1.743
  608   HD23  LEU  82          HD23      LEU  82 -12.564   2.012   0.911
  609    H    ALA  83           HN       ALA  83 -13.512   2.029  -4.144
  610    HA   ALA  83           HA       ALA  83 -15.543   3.990  -4.528
  611    HB1  ALA  83           HB1      ALA  83 -15.570   3.208  -6.847
  612    HB2  ALA  83           HB2      ALA  83 -14.596   1.810  -6.393
  613    HB3  ALA  83           HB3      ALA  83 -13.917   3.433  -6.278
  614    H    GLU  84           HN       GLU  84 -15.515   0.663  -3.779
  615    HA   GLU  84           HA       GLU  84 -18.321   0.238  -4.407
  616    HB2  GLU  84           HB2      GLU  84 -16.205  -1.533  -3.182
  617    HB3  GLU  84           HB1      GLU  84 -17.862  -2.037  -3.470
  618    HG2  GLU  84           HG2      GLU  84 -15.916  -1.155  -5.591
  619    HG3  GLU  84           HG1      GLU  84 -16.338  -2.827  -5.207
  620    H    ALA  85           HN       ALA  85 -16.222   0.818  -1.707
  621    HA   ALA  85           HA       ALA  85 -18.103   0.262   0.343
  622    HB1  ALA  85           HB1      ALA  85 -15.532   1.841   0.443
  623    HB2  ALA  85           HB2      ALA  85 -15.684   0.105   0.711
  624    HB3  ALA  85           HB3      ALA  85 -16.432   1.240   1.834
  625    H    ALA  86           HN       ALA  86 -18.538   2.031   1.994
  626    HA   ALA  86           HA       ALA  86 -19.077   4.616   0.815
  627    HB1  ALA  86           HB1      ALA  86 -21.174   2.886   2.150
  628    HB2  ALA  86           HB2      ALA  86 -21.121   3.311   0.440
  629    HB3  ALA  86           HB3      ALA  86 -21.395   4.564   1.651
  630    H28  SXD  87          H28B      SXD  87   3.135 -12.881   0.319
  631   H28A  SXD  87          H28A      SXD  87   3.901 -14.454   0.280
  632    H30  SXD  87          H30A      SXD  87   0.312 -15.174   0.378
  633   H30A  SXD  87          H30C      SXD  87   1.898 -15.506   1.076
  634   H30B  SXD  87          H30B      SXD  87   1.174 -13.904   1.243
  635    H31  SXD  87          H31A      SXD  87   0.968 -12.409  -0.646
  636   H31A  SXD  87          H31C      SXD  87   1.618 -12.841  -2.227
  637   H31B  SXD  87          H31B      SXD  87   0.147 -13.614  -1.637
  638    H32  SXD  87          H32A      SXD  87   2.780 -16.288  -1.381
  639   HO33  SXD  87          H33A      SXD  87   1.799 -15.297  -3.579
  640   HN36  SXD  87          H36A      SXD  87   0.695 -17.045  -0.321
  641    H37  SXD  87          H37B      SXD  87  -1.014 -18.627  -1.009
  642   H37A  SXD  87          H37A      SXD  87  -1.503 -17.473  -2.258
  643    H38  SXD  87          H38A      SXD  87  -1.621 -17.019   0.715
  644   H38A  SXD  87          H38B      SXD  87  -2.184 -15.895  -0.519
  645   HN41  SXD  87          H41A      SXD  87  -3.907 -16.040   1.007
  646    H42  SXD  87          H42B      SXD  87  -5.746 -18.275   1.075
  647   H42A  SXD  87          H42A      SXD  87  -6.236 -16.903   0.055
  648    H43  SXD  87          H43B      SXD  87  -5.750 -16.812   3.029
  649   H43A  SXD  87          H43A      SXD  87  -5.823 -15.400   1.960
  650    H1   SXD  87           H1A      SXD  87  -8.029 -16.182  -0.161
  651    H1A  SXD  87           H1B      SXD  87  -7.778 -14.611   0.615
  652    H2   SXD  87           H2A      SXD  87 -10.360 -16.188   0.571
  653    H2A  SXD  87           H2B      SXD  87  -9.949 -14.940  -0.600
  654    H4   SXD  87           H4B      SXD  87 -12.412 -13.956   1.920
  655    H4A  SXD  87           H4A      SXD  87 -11.825 -15.612   1.985
  656    H6   SXD  87           H6C      SXD  87 -12.539 -16.058   4.422
  657    H6A  SXD  87           H6A      SXD  87 -11.354 -15.432   5.573
  658    H6B  SXD  87           H6B      SXD  87 -10.823 -16.430   4.212
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -16.631  14.313   3.797
    2    H2   MET   1           HT2      MET   1 -15.889  13.484   2.548
    3    H3   MET   1           HT3      MET   1 -15.598  12.995   4.122
    4    HA   MET   1           HA       MET   1 -18.005  12.429   4.287
    5    HB2  MET   1           HB2      MET   1 -18.794  13.951   2.552
    6    HB3  MET   1           HB1      MET   1 -17.850  13.101   1.341
    7    HG2  MET   1           HG2      MET   1 -19.257  11.120   1.653
    8    HG3  MET   1           HG1      MET   1 -20.217  12.003   2.841
    9    HE1  MET   1           HE1      MET   1 -18.636  13.542  -0.413
   10    HE2  MET   1           HE2      MET   1 -19.921  13.289  -1.593
   11    HE3  MET   1           HE3      MET   1 -19.047  11.908  -0.934
   12    H    ALA   2           HN       ALA   2 -16.198  11.652   1.270
   13    HA   ALA   2           HA       ALA   2 -16.072   8.901   2.251
   14    HB1  ALA   2           HB1      ALA   2 -16.045   8.179  -0.095
   15    HB2  ALA   2           HB2      ALA   2 -16.221   9.854  -0.613
   16    HB3  ALA   2           HB3      ALA   2 -17.523   9.067   0.278
   17    H    THR   3           HN       THR   3 -14.151   8.798   3.090
   18    HA   THR   3           HA       THR   3 -11.928  10.274   2.071
   19    HB   THR   3           HB       THR   3 -12.050   8.169   4.192
   20    HG1  THR   3           HG1      THR   3 -13.080   9.611   5.392
   21   HG21  THR   3          HG21      THR   3  -9.787   8.830   3.488
   22   HG22  THR   3          HG22      THR   3 -10.118   9.396   5.124
   23   HG23  THR   3          HG23      THR   3 -10.194  10.523   3.767
   24    H    LEU   4           HN       LEU   4 -11.119   9.503   0.227
   25    HA   LEU   4           HA       LEU   4 -10.720   6.624  -0.193
   26    HB2  LEU   4           HB2      LEU   4 -10.225   8.976  -2.023
   27    HB3  LEU   4           HB1      LEU   4 -10.082   7.284  -2.452
   28    HG   LEU   4           HG       LEU   4 -12.631   8.745  -1.761
   29   HD11  LEU   4          HD11      LEU   4 -13.210   8.285  -4.094
   30   HD12  LEU   4          HD12      LEU   4 -11.597   7.600  -4.334
   31   HD13  LEU   4          HD13      LEU   4 -11.779   9.307  -3.939
   32   HD21  LEU   4          HD21      LEU   4 -12.223   5.864  -2.563
   33   HD22  LEU   4          HD22      LEU   4 -13.779   6.668  -2.355
   34   HD23  LEU   4          HD23      LEU   4 -12.714   6.434  -0.969
   35    H    LEU   5           HN       LEU   5  -8.566   6.095  -1.181
   36    HA   LEU   5           HA       LEU   5  -6.615   6.893   0.760
   37    HB2  LEU   5           HB2      LEU   5  -6.862   4.547  -0.027
   38    HB3  LEU   5           HB1      LEU   5  -6.382   5.059  -1.629
   39    HG   LEU   5           HG       LEU   5  -4.160   5.682  -0.758
   40   HD11  LEU   5          HD11      LEU   5  -3.517   4.986   1.496
   41   HD12  LEU   5          HD12      LEU   5  -5.188   4.518   1.820
   42   HD13  LEU   5          HD13      LEU   5  -4.789   6.206   1.523
   43   HD21  LEU   5          HD21      LEU   5  -4.990   2.859  -0.095
   44   HD22  LEU   5          HD22      LEU   5  -3.343   3.418  -0.408
   45   HD23  LEU   5          HD23      LEU   5  -4.550   3.454  -1.695
   46    H    THR   6           HN       THR   6  -5.098   8.358   0.465
   47    HA   THR   6           HA       THR   6  -5.057   9.816  -2.049
   48    HB   THR   6           HB       THR   6  -3.753  11.450  -0.694
   49    HG1  THR   6           HG1      THR   6  -4.509  10.282   1.701
   50   HG21  THR   6          HG21      THR   6  -5.654  12.203   0.686
   51   HG22  THR   6          HG22      THR   6  -6.417  10.623   0.494
   52   HG23  THR   6          HG23      THR   6  -6.203  11.674  -0.905
   53    H    THR   7           HN       THR   7  -2.592  10.842  -2.258
   54    HA   THR   7           HA       THR   7  -0.887   8.557  -2.554
   55    HB   THR   7           HB       THR   7   0.780  10.431  -3.210
   56    HG1  THR   7           HG1      THR   7  -0.212  12.221  -2.525
   57   HG21  THR   7          HG21      THR   7  -0.155  10.542  -5.499
   58   HG22  THR   7          HG22      THR   7  -1.683   9.909  -4.891
   59   HG23  THR   7          HG23      THR   7  -0.227   8.910  -4.838
   60    H    ASP   8           HN       ASP   8  -1.512  11.072  -0.418
   61    HA   ASP   8           HA       ASP   8   0.857  11.122   1.110
   62    HB2  ASP   8           HB2      ASP   8  -1.972  11.719   2.017
   63    HB3  ASP   8           HB1      ASP   8  -0.544  11.997   3.003
   64    H    ASP   9           HN       ASP   9  -2.196   9.421   1.736
   65    HA   ASP   9           HA       ASP   9  -0.885   7.952   3.793
   66    HB2  ASP   9           HB2      ASP   9  -3.664   8.009   2.884
   67    HB3  ASP   9           HB1      ASP   9  -3.109   6.469   3.542
   68    H    LEU  10           HN       LEU  10  -1.247   7.393   0.483
   69    HA   LEU  10           HA       LEU  10  -0.682   4.630   0.530
   70    HB2  LEU  10           HB2      LEU  10  -1.383   5.878  -1.510
   71    HB3  LEU  10           HB1      LEU  10   0.152   6.721  -1.509
   72    HG   LEU  10           HG       LEU  10   1.308   4.582  -1.925
   73   HD11  LEU  10          HD11      LEU  10   0.017   2.617  -2.582
   74   HD12  LEU  10          HD12      LEU  10  -1.475   3.454  -2.162
   75   HD13  LEU  10          HD13      LEU  10  -0.294   3.071  -0.906
   76   HD21  LEU  10          HD21      LEU  10   0.701   6.021  -3.792
   77   HD22  LEU  10          HD22      LEU  10  -0.878   5.243  -3.895
   78   HD23  LEU  10          HD23      LEU  10   0.584   4.322  -4.249
   79    H    ARG  11           HN       ARG  11   1.349   7.520   0.384
   80    HA   ARG  11           HA       ARG  11   3.860   6.292   0.588
   81    HB2  ARG  11           HB2      ARG  11   3.553   8.609  -0.095
   82    HB3  ARG  11           HB1      ARG  11   2.899   9.010   1.481
   83    HG2  ARG  11           HG2      ARG  11   5.087   8.552   2.493
   84    HG3  ARG  11           HG1      ARG  11   5.734   8.184   0.888
   85    HD2  ARG  11           HD2      ARG  11   6.279  10.472   1.502
   86    HD3  ARG  11           HD1      ARG  11   5.150  10.454   0.144
   87    HE   ARG  11           HE       ARG  11   4.482  11.051   2.941
   88   HH11  ARG  11          HH11      ARG  11   3.775  11.454  -0.565
   89   HH12  ARG  11          HH12      ARG  11   2.482  12.499  -0.308
   90   HH21  ARG  11          HH21      ARG  11   2.667  12.540   3.230
   91   HH22  ARG  11          HH22      ARG  11   1.845  13.158   1.864
   92    H    ARG  12           HN       ARG  12   1.697   7.626   3.052
   93    HA   ARG  12           HA       ARG  12   3.300   7.140   5.293
   94    HB2  ARG  12           HB2      ARG  12   0.299   7.325   5.116
   95    HB3  ARG  12           HB1      ARG  12   1.190   7.266   6.629
   96    HG2  ARG  12           HG2      ARG  12   2.333   9.339   6.032
   97    HG3  ARG  12           HG1      ARG  12   1.432   9.390   4.515
   98    HD2  ARG  12           HD2      ARG  12   0.388  10.852   6.121
   99    HD3  ARG  12           HD1      ARG  12  -0.663   9.477   5.794
  100    HE   ARG  12           HE       ARG  12   0.982   8.977   8.050
  101   HH11  ARG  12          HH11      ARG  12  -1.937  10.750   7.066
  102   HH12  ARG  12          HH12      ARG  12  -2.579  10.832   8.645
  103   HH21  ARG  12          HH21      ARG  12   0.099   9.161  10.231
  104   HH22  ARG  12          HH22      ARG  12  -1.389   9.927  10.473
  105    H    ALA  13           HN       ALA  13   1.137   4.970   3.599
  106    HA   ALA  13           HA       ALA  13   1.046   2.952   5.575
  107    HB1  ALA  13           HB1      ALA  13   0.356   1.460   3.758
  108    HB2  ALA  13           HB2      ALA  13   0.847   2.671   2.571
  109    HB3  ALA  13           HB3      ALA  13  -0.494   3.002   3.667
  110    H    LEU  14           HN       LEU  14   3.205   3.492   2.800
  111    HA   LEU  14           HA       LEU  14   4.910   1.362   3.323
  112    HB2  LEU  14           HB2      LEU  14   5.080   3.856   1.677
  113    HB3  LEU  14           HB1      LEU  14   6.462   2.794   1.838
  114    HG   LEU  14           HG       LEU  14   5.150   0.960   0.877
  115   HD11  LEU  14          HD11      LEU  14   2.910   1.575   1.451
  116   HD12  LEU  14          HD12      LEU  14   3.060   1.333  -0.287
  117   HD13  LEU  14          HD13      LEU  14   2.987   2.970   0.370
  118   HD21  LEU  14          HD21      LEU  14   5.119   1.789  -1.434
  119   HD22  LEU  14          HD22      LEU  14   6.570   2.264  -0.553
  120   HD23  LEU  14          HD23      LEU  14   5.277   3.432  -0.817
  121    H    VAL  15           HN       VAL  15   4.597   4.395   4.827
  122    HA   VAL  15           HA       VAL  15   7.260   4.384   5.942
  123    HB   VAL  15           HB       VAL  15   4.802   5.996   6.757
  124   HG11  VAL  15          HG11      VAL  15   7.702   6.365   7.510
  125   HG12  VAL  15          HG12      VAL  15   6.425   5.793   8.585
  126   HG13  VAL  15          HG13      VAL  15   6.379   7.442   7.957
  127   HG21  VAL  15          HG21      VAL  15   5.893   7.862   5.591
  128   HG22  VAL  15          HG22      VAL  15   5.549   6.520   4.499
  129   HG23  VAL  15          HG23      VAL  15   7.192   6.780   5.083
  130    H    GLU  16           HN       GLU  16   3.993   4.067   7.329
  131    HA   GLU  16           HA       GLU  16   4.565   3.288   9.903
  132    HB2  GLU  16           HB2      GLU  16   2.266   2.406   8.170
  133    HB3  GLU  16           HB1      GLU  16   2.349   2.170   9.904
  134    HG2  GLU  16           HG2      GLU  16   2.364   4.834   8.510
  135    HG3  GLU  16           HG1      GLU  16   0.948   4.071   9.226
  136    H    SER  17           HN       SER  17   4.238   1.117   7.094
  137    HA   SER  17           HA       SER  17   4.335  -1.270   8.651
  138    HB2  SER  17           HB2      SER  17   4.743  -0.977   5.681
  139    HB3  SER  17           HB1      SER  17   4.198  -2.408   6.556
  140    HG   SER  17           HG       SER  17   2.859  -0.164   5.777
  141    H    ALA  18           HN       ALA  18   6.804   0.810   7.665
  142    HA   ALA  18           HA       ALA  18   8.774  -1.380   7.704
  143    HB1  ALA  18           HB1      ALA  18  10.191  -0.034   6.258
  144    HB2  ALA  18           HB2      ALA  18   8.972   1.241   6.237
  145    HB3  ALA  18           HB3      ALA  18   8.622  -0.324   5.507
  146    H    GLY  19           HN       GLY  19   8.501   2.122   8.234
  147    HA2  GLY  19           HA2      GLY  19   9.248   2.335  10.790
  148    HA3  GLY  19           HA1      GLY  19  10.782   2.176   9.927
  149    H    GLU  20           HN       GLU  20   9.761   4.482  11.298
  150    HA   GLU  20           HA       GLU  20   8.890   6.284   9.228
  151    HB2  GLU  20           HB2      GLU  20   8.804   8.001  10.975
  152    HB3  GLU  20           HB1      GLU  20   7.946   6.541  11.448
  153    HG2  GLU  20           HG2      GLU  20   9.922   5.859  12.763
  154    HG3  GLU  20           HG1      GLU  20  10.682   7.396  12.351
  155    H    THR  21           HN       THR  21  11.697   5.212  10.186
  156    HA   THR  21           HA       THR  21  13.150   7.265   8.694
  157    HB   THR  21           HB       THR  21  15.061   6.945  10.398
  158    HG1  THR  21           HG1      THR  21  14.669   6.028  12.206
  159   HG21  THR  21          HG21      THR  21  12.587   8.467  11.234
  160   HG22  THR  21          HG22      THR  21  13.837   9.039  10.133
  161   HG23  THR  21          HG23      THR  21  14.226   8.761  11.837
  162    H    ASP  22           HN       ASP  22  12.235   4.793   7.885
  163    HA   ASP  22           HA       ASP  22  14.369   2.848   8.170
  164    HB2  ASP  22           HB2      ASP  22  11.933   2.206   8.190
  165    HB3  ASP  22           HB1      ASP  22  11.858   2.653   6.491
  166    H    GLY  23           HN       GLY  23  13.607   5.406   6.183
  167    HA2  GLY  23           HA2      GLY  23  15.069   6.207   4.499
  168    HA3  GLY  23           HA1      GLY  23  15.659   4.563   4.265
  169    H    THR  24           HN       THR  24  12.310   5.462   4.468
  170    HA   THR  24           HA       THR  24  11.978   4.496   1.752
  171    HB   THR  24           HB       THR  24   9.538   4.215   2.540
  172    HG1  THR  24           HG1      THR  24   9.326   3.947   4.792
  173   HG21  THR  24          HG21      THR  24  11.716   2.534   3.794
  174   HG22  THR  24          HG22      THR  24  11.054   2.322   2.173
  175   HG23  THR  24          HG23      THR  24  10.037   2.041   3.588
  176    H    ASP  25           HN       ASP  25  12.531   6.579   0.831
  177    HA   ASP  25           HA       ASP  25  10.627   8.710   1.333
  178    HB2  ASP  25           HB2      ASP  25  13.193   8.596  -0.222
  179    HB3  ASP  25           HB1      ASP  25  12.031   9.876  -0.530
  180    H    LEU  26           HN       LEU  26   8.787   8.042   0.544
  181    HA   LEU  26           HA       LEU  26   8.695   7.444  -2.328
  182    HB2  LEU  26           HB2      LEU  26   6.611   6.850  -0.216
  183    HB3  LEU  26           HB1      LEU  26   6.418   6.538  -1.921
  184    HG   LEU  26           HG       LEU  26   6.826   4.482  -1.010
  185   HD11  LEU  26          HD11      LEU  26   8.155   4.739  -2.951
  186   HD12  LEU  26          HD12      LEU  26   8.987   3.710  -1.780
  187   HD13  LEU  26          HD13      LEU  26   9.497   5.385  -1.998
  188   HD21  LEU  26          HD21      LEU  26   7.479   5.109   1.219
  189   HD22  LEU  26          HD22      LEU  26   9.060   5.632   0.640
  190   HD23  LEU  26          HD23      LEU  26   8.615   3.926   0.576
  191    H    SER  27           HN       SER  27   9.057   9.945  -2.166
  192    HA   SER  27           HA       SER  27   6.392  11.093  -2.366
  193    HB2  SER  27           HB2      SER  27   7.459  13.246  -1.376
  194    HB3  SER  27           HB1      SER  27   7.014  11.932  -0.287
  195    HG   SER  27           HG       SER  27   9.577  11.733  -1.311
  196    H    GLY  28           HN       GLY  28   8.663  10.229  -4.137
  197    HA2  GLY  28           HA2      GLY  28   8.789  12.693  -5.776
  198    HA3  GLY  28           HA1      GLY  28  10.018  11.431  -5.803
  199    H    ASP  29           HN       ASP  29   6.527  11.243  -5.854
  200    HA   ASP  29           HA       ASP  29   5.059  10.126  -7.093
  201    HB2  ASP  29           HB2      ASP  29   6.849  11.076  -9.334
  202    HB3  ASP  29           HB1      ASP  29   5.373  10.161  -9.640
  203    H    PHE  30           HN       PHE  30   5.234   8.313  -6.189
  204    HA   PHE  30           HA       PHE  30   7.279   6.424  -7.104
  205    HB2  PHE  30           HB2      PHE  30   7.003   5.317  -4.968
  206    HB3  PHE  30           HB1      PHE  30   7.340   7.025  -4.749
  207    HD1  PHE  30           HD2      PHE  30   5.160   8.530  -4.453
  208    HD2  PHE  30           HD1      PHE  30   5.344   4.347  -3.723
  209    HE1  PHE  30           HE2      PHE  30   3.208   8.709  -2.978
  210    HE2  PHE  30           HE1      PHE  30   3.391   4.522  -2.245
  211    HZ   PHE  30           HZ       PHE  30   2.324   6.705  -1.871
  212    H    LEU  31           HN       LEU  31   4.349   6.903  -8.145
  213    HA   LEU  31           HA       LEU  31   3.037   4.509  -7.417
  214    HB2  LEU  31           HB2      LEU  31   2.394   6.625  -9.417
  215    HB3  LEU  31           HB1      LEU  31   1.514   5.113  -9.449
  216    HG   LEU  31           HG       LEU  31   0.765   5.497  -7.130
  217   HD11  LEU  31          HD11      LEU  31   1.035   7.673  -6.070
  218   HD12  LEU  31          HD12      LEU  31   2.116   8.177  -7.369
  219   HD13  LEU  31          HD13      LEU  31   2.584   6.859  -6.292
  220   HD21  LEU  31          HD21      LEU  31   0.177   7.756  -9.023
  221   HD22  LEU  31          HD22      LEU  31  -0.791   7.307  -7.618
  222   HD23  LEU  31          HD23      LEU  31  -0.630   6.189  -8.974
  223    H    ASP  32           HN       ASP  32   5.040   5.266 -10.192
  224    HA   ASP  32           HA       ASP  32   4.395   2.689 -11.424
  225    HB2  ASP  32           HB2      ASP  32   5.661   3.389 -13.308
  226    HB3  ASP  32           HB1      ASP  32   4.760   4.804 -12.777
  227    H    LEU  33           HN       LEU  33   6.205   3.445  -8.935
  228    HA   LEU  33           HA       LEU  33   8.712   2.171  -9.563
  229    HB2  LEU  33           HB2      LEU  33   7.404   3.025  -7.049
  230    HB3  LEU  33           HB1      LEU  33   9.040   2.353  -7.063
  231    HG   LEU  33           HG       LEU  33   8.049   4.990  -8.129
  232   HD11  LEU  33          HD11      LEU  33  10.264   4.257  -6.220
  233   HD12  LEU  33          HD12      LEU  33   8.696   4.946  -5.795
  234   HD13  LEU  33          HD13      LEU  33   9.853   5.897  -6.724
  235   HD21  LEU  33          HD21      LEU  33   9.467   4.037  -9.875
  236   HD22  LEU  33          HD22      LEU  33  10.741   3.732  -8.694
  237   HD23  LEU  33          HD23      LEU  33  10.279   5.389  -9.087
  238    H    ARG  34           HN       ARG  34   9.372   0.402  -7.835
  239    HA   ARG  34           HA       ARG  34   7.112  -1.493  -7.692
  240    HB2  ARG  34           HB2      ARG  34  10.022  -2.142  -7.981
  241    HB3  ARG  34           HB1      ARG  34   8.749  -3.311  -7.703
  242    HG2  ARG  34           HG2      ARG  34   7.750  -2.534  -9.880
  243    HG3  ARG  34           HG1      ARG  34   9.280  -1.677 -10.154
  244    HD2  ARG  34           HD2      ARG  34  10.483  -3.780  -9.701
  245    HD3  ARG  34           HD1      ARG  34   8.924  -4.580  -9.553
  246    HE   ARG  34           HE       ARG  34   9.660  -3.258 -12.038
  247   HH11  ARG  34          HH11      ARG  34   8.410  -6.072 -10.345
  248   HH12  ARG  34          HH12      ARG  34   8.786  -7.217 -11.545
  249   HH21  ARG  34          HH21      ARG  34  10.121  -4.794 -13.816
  250   HH22  ARG  34          HH22      ARG  34   9.764  -6.449 -13.604
  251    H    PHE  35           HN       PHE  35   6.930  -2.795  -5.924
  252    HA   PHE  35           HA       PHE  35   7.982  -1.731  -3.496
  253    HB2  PHE  35           HB2      PHE  35   6.272  -4.141  -4.061
  254    HB3  PHE  35           HB1      PHE  35   6.857  -3.751  -2.446
  255    HD1  PHE  35           HD1      PHE  35   6.255  -1.442  -1.524
  256    HD2  PHE  35           HD2      PHE  35   4.339  -3.208  -4.871
  257    HE1  PHE  35           HE1      PHE  35   4.357   0.084  -1.238
  258    HE2  PHE  35           HE2      PHE  35   2.436  -1.683  -4.594
  259    HZ   PHE  35           HZ       PHE  35   2.416  -0.092  -2.656
  260    H    GLU  36           HN       GLU  36   8.607  -4.616  -5.457
  261    HA   GLU  36           HA       GLU  36  10.496  -5.721  -3.707
  262    HB2  GLU  36           HB2      GLU  36  11.358  -6.962  -5.676
  263    HB3  GLU  36           HB1      GLU  36   9.615  -7.077  -5.500
  264    HG2  GLU  36           HG2      GLU  36   9.265  -5.563  -7.300
  265    HG3  GLU  36           HG1      GLU  36  10.980  -5.161  -7.365
  266    H    ASP  37           HN       ASP  37  10.661  -3.076  -5.818
  267    HA   ASP  37           HA       ASP  37  13.521  -2.906  -5.967
  268    HB2  ASP  37           HB2      ASP  37  12.358  -1.830  -7.726
  269    HB3  ASP  37           HB1      ASP  37  11.337  -0.933  -6.604
  270    H    ILE  38           HN       ILE  38  11.022  -1.297  -4.065
  271    HA   ILE  38           HA       ILE  38  13.017   0.199  -2.604
  272    HB   ILE  38           HB       ILE  38  11.129   1.211  -1.384
  273   HG12  ILE  38          HG12      ILE  38   9.416  -0.581  -3.129
  274   HG13  ILE  38          HG11      ILE  38   9.634  -0.760  -1.395
  275   HG21  ILE  38          HG21      ILE  38  10.146   2.386  -3.311
  276   HG22  ILE  38          HG22      ILE  38  10.814   1.155  -4.386
  277   HG23  ILE  38          HG23      ILE  38  11.894   2.205  -3.471
  278   HD11  ILE  38          HD11      ILE  38   8.552   1.402  -1.050
  279   HD12  ILE  38          HD12      ILE  38   7.511   0.280  -1.929
  280   HD13  ILE  38          HD13      ILE  38   8.344   1.570  -2.793
  281    H    GLY  39           HN       GLY  39  12.790  -2.761  -2.359
  282    HA2  GLY  39           HA2      GLY  39  13.297  -4.301  -0.726
  283    HA3  GLY  39           HA1      GLY  39  13.579  -2.936   0.339
  284    H    TYR  40           HN       TYR  40  10.501  -3.601  -1.193
  285    HA   TYR  40           HA       TYR  40   9.401  -4.059   1.472
  286    HB2  TYR  40           HB2      TYR  40   8.563  -2.417  -0.722
  287    HB3  TYR  40           HB1      TYR  40   7.318  -3.619  -0.392
  288    HD1  TYR  40           HD1      TYR  40   9.389  -0.992   1.208
  289    HD2  TYR  40           HD2      TYR  40   5.881  -3.373   1.416
  290    HE1  TYR  40           HE1      TYR  40   8.630   0.316   3.137
  291    HE2  TYR  40           HE2      TYR  40   5.106  -2.085   3.351
  292    HH   TYR  40           HH       TYR  40   6.707   0.797   4.381
  293    H    ASP  41           HN       ASP  41   9.114  -6.107   1.922
  294    HA   ASP  41           HA       ASP  41   8.691  -8.092  -0.141
  295    HB2  ASP  41           HB2      ASP  41   8.589  -8.345   2.881
  296    HB3  ASP  41           HB1      ASP  41   8.392  -9.689   1.769
  297    H    SER  42           HN       SER  42   6.835  -9.648   0.180
  298    HA   SER  42           HA       SER  42   4.437  -8.167  -0.095
  299    HB2  SER  42           HB2      SER  42   3.949 -10.980   0.251
  300    HB3  SER  42           HB1      SER  42   3.768  -9.982  -1.176
  301    H    LEU  43           HN       LEU  43   5.988  -9.868   2.489
  302    HA   LEU  43           HA       LEU  43   3.720 -10.118   4.188
  303    HB2  LEU  43           HB2      LEU  43   6.034 -11.243   4.436
  304    HB3  LEU  43           HB1      LEU  43   6.579  -9.731   5.115
  305    HG   LEU  43           HG       LEU  43   6.101 -11.484   6.811
  306   HD11  LEU  43          HD11      LEU  43   4.316  -9.076   7.042
  307   HD12  LEU  43          HD12      LEU  43   6.012  -9.169   7.512
  308   HD13  LEU  43          HD13      LEU  43   4.805 -10.131   8.367
  309   HD21  LEU  43          HD21      LEU  43   3.775 -12.068   7.327
  310   HD22  LEU  43          HD22      LEU  43   4.253 -12.599   5.715
  311   HD23  LEU  43          HD23      LEU  43   3.246 -11.165   5.906
  312    H    ALA  44           HN       ALA  44   6.122  -7.592   3.675
  313    HA   ALA  44           HA       ALA  44   5.113  -5.801   5.609
  314    HB1  ALA  44           HB1      ALA  44   7.360  -5.590   4.662
  315    HB2  ALA  44           HB2      ALA  44   6.431  -4.108   4.428
  316    HB3  ALA  44           HB3      ALA  44   6.660  -5.228   3.085
  317    H    LEU  45           HN       LEU  45   4.320  -6.493   2.291
  318    HA   LEU  45           HA       LEU  45   2.575  -4.313   1.849
  319    HB2  LEU  45           HB2      LEU  45   2.618  -7.035   0.548
  320    HB3  LEU  45           HB1      LEU  45   1.662  -5.672  -0.015
  321    HG   LEU  45           HG       LEU  45   4.670  -5.817   0.073
  322   HD11  LEU  45          HD11      LEU  45   2.747  -5.780  -2.242
  323   HD12  LEU  45          HD12      LEU  45   3.691  -7.170  -1.704
  324   HD13  LEU  45          HD13      LEU  45   4.507  -5.748  -2.357
  325   HD21  LEU  45          HD21      LEU  45   3.868  -3.577   0.547
  326   HD22  LEU  45          HD22      LEU  45   2.837  -3.627  -0.882
  327   HD23  LEU  45          HD23      LEU  45   4.591  -3.655  -1.059
  328    H    MET  46           HN       MET  46   2.126  -7.465   3.270
  329    HA   MET  46           HA       MET  46  -0.690  -7.516   3.495
  330    HB2  MET  46           HB2      MET  46   1.299  -8.524   5.549
  331    HB3  MET  46           HB1      MET  46  -0.381  -9.007   5.415
  332    HG2  MET  46           HG2      MET  46   1.779  -9.482   3.432
  333    HG3  MET  46           HG1      MET  46   1.141 -10.685   4.551
  334    HE1  MET  46           HE1      MET  46   0.726 -12.306   2.435
  335    HE2  MET  46           HE2      MET  46   1.310 -11.054   1.341
  336    HE3  MET  46           HE3      MET  46  -0.236 -11.843   1.031
  337    H    GLU  47           HN       GLU  47   1.820  -6.281   5.552
  338    HA   GLU  47           HA       GLU  47   0.232  -5.251   7.628
  339    HB2  GLU  47           HB2      GLU  47   2.683  -5.749   7.588
  340    HB3  GLU  47           HB1      GLU  47   2.904  -4.271   6.678
  341    HG2  GLU  47           HG2      GLU  47   3.367  -3.746   8.937
  342    HG3  GLU  47           HG1      GLU  47   1.814  -3.018   8.526
  343    H    THR  48           HN       THR  48   1.516  -3.877   4.673
  344    HA   THR  48           HA       THR  48   0.759  -1.201   4.939
  345    HB   THR  48           HB       THR  48   0.950  -2.915   2.437
  346    HG1  THR  48           HG1      THR  48   2.884  -2.767   3.800
  347   HG21  THR  48          HG21      THR  48  -0.218  -0.795   1.993
  348   HG22  THR  48          HG22      THR  48   1.383  -0.801   1.249
  349   HG23  THR  48          HG23      THR  48   1.108   0.094   2.743
  350    H    ALA  49           HN       ALA  49  -0.963  -3.945   3.392
  351    HA   ALA  49           HA       ALA  49  -3.299  -2.547   2.789
  352    HB1  ALA  49           HB1      ALA  49  -2.685  -4.663   1.722
  353    HB2  ALA  49           HB2      ALA  49  -4.287  -4.760   2.457
  354    HB3  ALA  49           HB3      ALA  49  -2.903  -5.502   3.257
  355    H    ALA  50           HN       ALA  50  -2.440  -4.672   5.513
  356    HA   ALA  50           HA       ALA  50  -4.750  -4.825   6.957
  357    HB1  ALA  50           HB1      ALA  50  -3.379  -5.146   8.927
  358    HB2  ALA  50           HB2      ALA  50  -2.023  -4.369   8.117
  359    HB3  ALA  50           HB3      ALA  50  -2.612  -5.932   7.534
  360    H    ARG  51           HN       ARG  51  -2.353  -2.274   7.189
  361    HA   ARG  51           HA       ARG  51  -3.438  -0.675   9.183
  362    HB2  ARG  51           HB2      ARG  51  -1.230  -0.314   8.207
  363    HB3  ARG  51           HB1      ARG  51  -1.965   0.155   6.684
  364    HG2  ARG  51           HG2      ARG  51  -3.063   2.051   7.923
  365    HG3  ARG  51           HG1      ARG  51  -2.035   1.620   9.295
  366    HD2  ARG  51           HD2      ARG  51  -0.074   1.904   7.927
  367    HD3  ARG  51           HD1      ARG  51  -1.069   2.350   6.544
  368    HE   ARG  51           HE       ARG  51  -0.887   3.920   9.037
  369   HH11  ARG  51          HH11      ARG  51  -1.455   3.829   5.518
  370   HH12  ARG  51          HH12      ARG  51  -1.508   5.535   5.364
  371   HH21  ARG  51          HH21      ARG  51  -0.906   6.302   8.709
  372   HH22  ARG  51          HH22      ARG  51  -1.231   6.908   7.133
  373    H    LEU  52           HN       LEU  52  -3.983  -0.598   5.717
  374    HA   LEU  52           HA       LEU  52  -5.763   1.632   5.953
  375    HB2  LEU  52           HB2      LEU  52  -4.959   0.024   3.535
  376    HB3  LEU  52           HB1      LEU  52  -5.863   1.531   3.505
  377    HG   LEU  52           HG       LEU  52  -3.029   1.215   4.521
  378   HD11  LEU  52          HD11      LEU  52  -3.137   0.994   2.117
  379   HD12  LEU  52          HD12      LEU  52  -2.378   2.518   2.580
  380   HD13  LEU  52          HD13      LEU  52  -4.046   2.500   2.007
  381   HD21  LEU  52          HD21      LEU  52  -3.011   3.647   4.643
  382   HD22  LEU  52          HD22      LEU  52  -4.255   2.965   5.698
  383   HD23  LEU  52          HD23      LEU  52  -4.704   3.686   4.152
  384    H    GLU  53           HN       GLU  53  -6.037  -1.828   5.368
  385    HA   GLU  53           HA       GLU  53  -8.704  -2.032   4.734
  386    HB2  GLU  53           HB2      GLU  53  -7.013  -3.853   6.449
  387    HB3  GLU  53           HB1      GLU  53  -8.643  -4.268   5.942
  388    HG2  GLU  53           HG2      GLU  53  -7.795  -4.127   3.572
  389    HG3  GLU  53           HG1      GLU  53  -6.188  -3.907   4.255
  390    H    SER  54           HN       SER  54  -7.215  -2.190   7.928
  391    HA   SER  54           HA       SER  54  -9.545  -2.343   9.452
  392    HB2  SER  54           HB2      SER  54  -6.910  -1.128  10.288
  393    HB3  SER  54           HB1      SER  54  -8.107  -1.911  11.324
  394    HG   SER  54           HG       SER  54  -6.252  -2.986   9.563
  395    H    ARG  55           HN       ARG  55  -7.491   0.462   8.714
  396    HA   ARG  55           HA       ARG  55  -8.987   2.321  10.176
  397    HB2  ARG  55           HB2      ARG  55  -6.714   2.767   9.761
  398    HB3  ARG  55           HB1      ARG  55  -6.921   2.612   8.027
  399    HG2  ARG  55           HG2      ARG  55  -8.206   4.671   7.984
  400    HG3  ARG  55           HG1      ARG  55  -8.048   4.812   9.738
  401    HD2  ARG  55           HD2      ARG  55  -5.742   5.154   9.613
  402    HD3  ARG  55           HD1      ARG  55  -5.661   4.580   7.948
  403    HE   ARG  55           HE       ARG  55  -7.310   6.882   8.299
  404   HH11  ARG  55          HH11      ARG  55  -3.893   6.031   8.208
  405   HH12  ARG  55          HH12      ARG  55  -3.472   7.233   7.057
  406   HH21  ARG  55          HH21      ARG  55  -6.686   8.628   6.808
  407   HH22  ARG  55          HH22      ARG  55  -5.045   8.727   6.290
  408    H    TYR  56           HN       TYR  56  -9.104   1.553   6.670
  409    HA   TYR  56           HA       TYR  56 -11.078   3.626   6.338
  410    HB2  TYR  56           HB2      TYR  56  -9.741   1.766   4.387
  411    HB3  TYR  56           HB1      TYR  56 -11.091   2.802   3.937
  412    HD1  TYR  56           HD1      TYR  56  -7.578   2.824   5.135
  413    HD2  TYR  56           HD2      TYR  56 -10.762   5.106   3.488
  414    HE1  TYR  56           HE1      TYR  56  -6.017   4.670   4.674
  415    HE2  TYR  56           HE2      TYR  56  -9.212   6.952   3.024
  416    HH   TYR  56           HH       TYR  56  -7.050   7.797   3.757
  417    H    GLY  57           HN       GLY  57 -11.120   0.382   7.179
  418    HA2  GLY  57           HA2      GLY  57 -12.965  -0.884   7.743
  419    HA3  GLY  57           HA1      GLY  57 -13.999   0.364   7.064
  420    H    VAL  58           HN       VAL  58 -11.372  -1.400   5.521
  421    HA   VAL  58           HA       VAL  58 -13.360  -2.567   3.727
  422    HB   VAL  58           HB       VAL  58 -11.881  -2.355   1.798
  423   HG11  VAL  58          HG11      VAL  58 -13.400  -0.503   2.219
  424   HG12  VAL  58          HG12      VAL  58 -11.890   0.052   1.474
  425   HG13  VAL  58          HG13      VAL  58 -12.151   0.272   3.204
  426   HG21  VAL  58          HG21      VAL  58  -9.797  -1.074   1.867
  427   HG22  VAL  58          HG22      VAL  58  -9.715  -2.489   2.912
  428   HG23  VAL  58          HG23      VAL  58  -9.975  -0.879   3.609
  429    H    SER  59           HN       SER  59 -12.198  -4.415   2.416
  430    HA   SER  59           HA       SER  59 -10.233  -5.776   4.044
  431    HB2  SER  59           HB2      SER  59 -12.538  -6.414   4.914
  432    HB3  SER  59           HB1      SER  59 -12.866  -7.107   3.328
  433    HG   SER  59           HG       SER  59 -10.793  -7.801   5.109
  434    H    ILE  60           HN       ILE  60  -8.802  -6.654   2.686
  435    HA   ILE  60           HA       ILE  60  -9.632  -7.194  -0.085
  436    HB   ILE  60           HB       ILE  60  -7.184  -5.671   0.849
  437   HG12  ILE  60          HG12      ILE  60  -9.469  -4.870  -0.966
  438   HG13  ILE  60          HG11      ILE  60  -9.253  -4.359   0.700
  439   HG21  ILE  60          HG21      ILE  60  -6.508  -7.191  -0.918
  440   HG22  ILE  60          HG22      ILE  60  -6.504  -5.527  -1.505
  441   HG23  ILE  60          HG23      ILE  60  -7.821  -6.615  -1.945
  442   HD11  ILE  60          HD11      ILE  60  -7.213  -3.193   0.075
  443   HD12  ILE  60          HD12      ILE  60  -8.601  -2.635  -0.862
  444   HD13  ILE  60          HD13      ILE  60  -7.425  -3.724  -1.594
  445    HA   PRO  61           HA       PRO  61  -7.804 -11.248   0.525
  446    HB2  PRO  61           HB2      PRO  61  -7.023 -10.720  -2.315
  447    HB3  PRO  61           HB1      PRO  61  -7.729 -12.180  -1.620
  448    HG2  PRO  61           HG2      PRO  61  -9.255 -10.524  -2.997
  449    HG3  PRO  61           HG1      PRO  61  -9.864 -11.219  -1.483
  450    HD2  PRO  61           HD2      PRO  61  -8.871  -8.466  -2.037
  451    HD3  PRO  61           HD1      PRO  61 -10.168  -9.001  -0.951
  452    H    ASP  62           HN       ASP  62  -5.963 -11.523   1.522
  453    HA   ASP  62           HA       ASP  62  -3.773  -9.783   1.523
  454    HB2  ASP  62           HB2      ASP  62  -2.634 -11.358   2.924
  455    HB3  ASP  62           HB1      ASP  62  -4.335 -11.440   3.349
  456    H    ASP  63           HN       ASP  63  -4.405 -12.646  -0.402
  457    HA   ASP  63           HA       ASP  63  -1.804 -13.083  -1.358
  458    HB2  ASP  63           HB2      ASP  63  -3.564 -14.746  -1.656
  459    HB3  ASP  63           HB1      ASP  63  -4.444 -13.653  -2.721
  460    H    VAL  64           HN       VAL  64  -4.387 -11.040  -2.491
  461    HA   VAL  64           HA       VAL  64  -3.066 -10.207  -4.883
  462    HB   VAL  64           HB       VAL  64  -5.299  -8.797  -3.385
  463   HG11  VAL  64          HG11      VAL  64  -5.889  -7.866  -5.573
  464   HG12  VAL  64          HG12      VAL  64  -4.495  -8.672  -6.290
  465   HG13  VAL  64          HG13      VAL  64  -4.257  -7.408  -5.087
  466   HG21  VAL  64          HG21      VAL  64  -5.928 -11.099  -3.816
  467   HG22  VAL  64          HG22      VAL  64  -5.496 -10.916  -5.518
  468   HG23  VAL  64          HG23      VAL  64  -6.853 -10.005  -4.846
  469    H    ALA  65           HN       ALA  65  -3.517  -8.906  -1.635
  470    HA   ALA  65           HA       ALA  65  -2.296  -6.416  -1.874
  471    HB1  ALA  65           HB1      ALA  65  -3.518  -7.165   0.138
  472    HB2  ALA  65           HB2      ALA  65  -1.909  -6.539   0.528
  473    HB3  ALA  65           HB3      ALA  65  -2.188  -8.276   0.493
  474    H    GLY  66           HN       GLY  66  -0.897  -9.571  -1.197
  475    HA2  GLY  66           HA2      GLY  66   1.770  -8.497  -1.041
  476    HA3  GLY  66           HA1      GLY  66   1.313 -10.190  -0.924
  477    H    ARG  67           HN       ARG  67  -0.041  -8.745  -3.702
  478    HA   ARG  67           HA       ARG  67   2.211  -9.681  -5.312
  479    HB2  ARG  67           HB2      ARG  67  -0.728  -9.980  -5.745
  480    HB3  ARG  67           HB1      ARG  67   0.399 -10.061  -7.080
  481    HG2  ARG  67           HG2      ARG  67   0.372 -11.871  -4.668
  482    HG3  ARG  67           HG1      ARG  67  -0.256 -12.276  -6.260
  483    HD2  ARG  67           HD2      ARG  67   1.862 -13.295  -6.127
  484    HD3  ARG  67           HD1      ARG  67   2.077 -11.864  -7.138
  485    HE   ARG  67           HE       ARG  67   2.638 -11.382  -4.373
  486   HH11  ARG  67          HH11      ARG  67   4.165 -12.525  -7.375
  487   HH12  ARG  67          HH12      ARG  67   5.753 -12.210  -6.819
  488   HH21  ARG  67          HH21      ARG  67   4.767 -11.009  -3.639
  489   HH22  ARG  67          HH22      ARG  67   6.117 -11.396  -4.593
  490    H    VAL  68           HN       VAL  68   0.854  -6.925  -4.351
  491    HA   VAL  68           HA       VAL  68   0.591  -5.642  -6.889
  492    HB   VAL  68           HB       VAL  68   0.520  -3.489  -5.597
  493   HG11  VAL  68          HG11      VAL  68  -1.289  -5.671  -4.576
  494   HG12  VAL  68          HG12      VAL  68  -1.521  -4.706  -6.036
  495   HG13  VAL  68          HG13      VAL  68  -1.598  -3.939  -4.449
  496   HG21  VAL  68          HG21      VAL  68   0.419  -3.561  -3.146
  497   HG22  VAL  68          HG22      VAL  68   1.992  -4.100  -3.737
  498   HG23  VAL  68          HG23      VAL  68   0.806  -5.280  -3.180
  499    H    ASP  69           HN       ASP  69   2.159  -5.121  -8.179
  500    HA   ASP  69           HA       ASP  69   4.891  -5.309  -7.262
  501    HB2  ASP  69           HB2      ASP  69   4.167  -6.292  -9.423
  502    HB3  ASP  69           HB1      ASP  69   3.812  -4.675 -10.011
  503    H    THR  70           HN       THR  70   2.854  -2.901  -8.773
  504    HA   THR  70           HA       THR  70   4.808  -0.884  -7.983
  505    HB   THR  70           HB       THR  70   3.635   0.593  -9.627
  506    HG1  THR  70           HG1      THR  70   2.132  -1.793 -10.081
  507   HG21  THR  70          HG21      THR  70   4.507  -2.079 -10.733
  508   HG22  THR  70          HG22      THR  70   5.562  -0.723 -10.358
  509   HG23  THR  70          HG23      THR  70   4.379  -0.585 -11.663
  510    HA   PRO  71           HA       PRO  71   2.169   0.620  -4.656
  511    HB2  PRO  71           HB2      PRO  71   3.116   3.277  -5.659
  512    HB3  PRO  71           HB1      PRO  71   3.060   2.659  -3.998
  513    HG2  PRO  71           HG2      PRO  71   5.366   2.701  -5.244
  514    HG3  PRO  71           HG1      PRO  71   4.902   1.251  -4.329
  515    HD2  PRO  71           HD2      PRO  71   4.830   1.724  -7.286
  516    HD3  PRO  71           HD1      PRO  71   5.361   0.286  -6.389
  517    H    ARG  72           HN       ARG  72   2.109   2.040  -7.836
  518    HA   ARG  72           HA       ARG  72  -0.346   3.346  -7.954
  519    HB2  ARG  72           HB2      ARG  72   1.050   3.220  -9.906
  520    HB3  ARG  72           HB1      ARG  72   0.916   1.472  -9.958
  521    HG2  ARG  72           HG2      ARG  72  -1.472   1.698 -10.505
  522    HG3  ARG  72           HG1      ARG  72  -1.284   3.453 -10.507
  523    HD2  ARG  72           HD2      ARG  72   0.288   1.572 -12.254
  524    HD3  ARG  72           HD1      ARG  72  -1.172   2.417 -12.769
  525    HE   ARG  72           HE       ARG  72   0.110   4.482 -12.142
  526   HH11  ARG  72          HH11      ARG  72   1.851   1.575 -13.275
  527   HH12  ARG  72          HH12      ARG  72   3.001   2.454 -14.170
  528   HH21  ARG  72          HH21      ARG  72   1.723   5.671 -13.384
  529   HH22  ARG  72          HH22      ARG  72   2.915   4.824 -14.256
  530    H    GLU  73           HN       GLU  73   0.247  -0.146  -8.173
  531    HA   GLU  73           HA       GLU  73  -2.443  -0.911  -8.604
  532    HB2  GLU  73           HB2      GLU  73  -0.080  -2.453  -7.590
  533    HB3  GLU  73           HB1      GLU  73  -1.619  -3.159  -8.065
  534    HG2  GLU  73           HG2      GLU  73  -1.316  -2.501 -10.310
  535    HG3  GLU  73           HG1      GLU  73   0.097  -1.526  -9.894
  536    H    LEU  74           HN       LEU  74  -0.403  -0.640  -5.759
  537    HA   LEU  74           HA       LEU  74  -2.224  -1.866  -3.956
  538    HB2  LEU  74           HB2      LEU  74   0.256  -1.431  -3.565
  539    HB3  LEU  74           HB1      LEU  74  -0.143   0.245  -3.300
  540    HG   LEU  74           HG       LEU  74   0.320  -1.091  -1.226
  541   HD11  LEU  74          HD11      LEU  74  -0.937   0.964  -1.027
  542   HD12  LEU  74          HD12      LEU  74  -1.530  -0.244   0.115
  543   HD13  LEU  74          HD13      LEU  74  -2.437   0.100  -1.358
  544   HD21  LEU  74          HD21      LEU  74  -1.414  -2.606  -0.377
  545   HD22  LEU  74          HD22      LEU  74  -0.692  -3.192  -1.876
  546   HD23  LEU  74          HD23      LEU  74  -2.286  -2.443  -1.902
  547    H    LEU  75           HN       LEU  75  -1.725   1.458  -4.982
  548    HA   LEU  75           HA       LEU  75  -3.643   2.729  -3.365
  549    HB2  LEU  75           HB2      LEU  75  -1.911   3.893  -4.667
  550    HB3  LEU  75           HB1      LEU  75  -2.702   3.405  -6.151
  551    HG   LEU  75           HG       LEU  75  -4.690   4.781  -5.454
  552   HD11  LEU  75          HD11      LEU  75  -2.822   5.736  -3.308
  553   HD12  LEU  75          HD12      LEU  75  -4.297   4.796  -3.073
  554   HD13  LEU  75          HD13      LEU  75  -4.389   6.437  -3.712
  555   HD21  LEU  75          HD21      LEU  75  -3.026   5.609  -7.033
  556   HD22  LEU  75          HD22      LEU  75  -2.049   6.215  -5.698
  557   HD23  LEU  75          HD23      LEU  75  -3.644   6.907  -6.014
  558    H    ASP  76           HN       ASP  76  -3.805   1.553  -6.696
  559    HA   ASP  76           HA       ASP  76  -6.506   2.032  -7.209
  560    HB2  ASP  76           HB2      ASP  76  -5.031   1.592  -9.021
  561    HB3  ASP  76           HB1      ASP  76  -4.569   0.032  -8.360
  562    H    LEU  77           HN       LEU  77  -4.936  -0.805  -5.869
  563    HA   LEU  77           HA       LEU  77  -7.102  -2.547  -5.784
  564    HB2  LEU  77           HB2      LEU  77  -4.781  -3.199  -5.422
  565    HB3  LEU  77           HB1      LEU  77  -4.746  -2.298  -3.921
  566    HG   LEU  77           HG       LEU  77  -6.419  -3.866  -2.991
  567   HD11  LEU  77          HD11      LEU  77  -7.467  -4.563  -5.074
  568   HD12  LEU  77          HD12      LEU  77  -6.870  -5.953  -4.166
  569   HD13  LEU  77          HD13      LEU  77  -5.973  -5.364  -5.567
  570   HD21  LEU  77          HD21      LEU  77  -3.903  -5.126  -4.078
  571   HD22  LEU  77          HD22      LEU  77  -4.864  -5.736  -2.731
  572   HD23  LEU  77          HD23      LEU  77  -4.039  -4.185  -2.593
  573    H    ILE  78           HN       ILE  78  -5.880  -0.339  -3.293
  574    HA   ILE  78           HA       ILE  78  -8.028  -1.035  -1.574
  575    HB   ILE  78           HB       ILE  78  -5.927   1.128  -1.234
  576   HG12  ILE  78          HG12      ILE  78  -6.253  -1.688  -0.176
  577   HG13  ILE  78          HG11      ILE  78  -5.008  -1.094  -1.262
  578   HG21  ILE  78          HG21      ILE  78  -7.960   1.702   0.042
  579   HG22  ILE  78          HG22      ILE  78  -6.646   1.233   1.123
  580   HG23  ILE  78          HG23      ILE  78  -7.951   0.098   0.779
  581   HD11  ILE  78          HD11      ILE  78  -4.138  -1.450   0.954
  582   HD12  ILE  78          HD12      ILE  78  -5.361  -0.373   1.626
  583   HD13  ILE  78          HD13      ILE  78  -4.111   0.271   0.559
  584    H    ASN  79           HN       ASN  79  -7.374   1.775  -3.633
  585    HA   ASN  79           HA       ASN  79  -9.760   3.061  -2.835
  586    HB2  ASN  79           HB2      ASN  79  -7.832   3.542  -5.045
  587    HB3  ASN  79           HB1      ASN  79  -9.461   4.175  -5.265
  588   HD21  ASN  79          HD21      ASN  79  -6.966   5.587  -4.841
  589   HD22  ASN  79          HD22      ASN  79  -7.169   6.562  -3.434
  590    H    GLY  80           HN       GLY  80  -9.131   0.557  -5.101
  591    HA2  GLY  80           HA2      GLY  80 -11.593   0.593  -6.449
  592    HA3  GLY  80           HA1      GLY  80 -10.587  -0.831  -6.182
  593    H    ALA  81           HN       ALA  81 -10.570  -0.952  -3.449
  594    HA   ALA  81           HA       ALA  81 -13.097  -2.123  -2.874
  595    HB1  ALA  81           HB1      ALA  81 -10.832  -1.456  -0.986
  596    HB2  ALA  81           HB2      ALA  81 -11.009  -2.962  -1.888
  597    HB3  ALA  81           HB3      ALA  81 -12.184  -2.539  -0.641
  598    H    LEU  82           HN       LEU  82 -11.629   0.940  -2.213
  599    HA   LEU  82           HA       LEU  82 -13.614   1.888  -0.403
  600    HB2  LEU  82           HB2      LEU  82 -11.517   3.301  -2.033
  601    HB3  LEU  82           HB1      LEU  82 -12.592   4.138  -0.928
  602    HG   LEU  82           HG       LEU  82 -10.710   1.935  -0.075
  603   HD11  LEU  82          HD11      LEU  82 -10.376   4.927   0.153
  604   HD12  LEU  82          HD12      LEU  82  -9.453   3.878  -0.912
  605   HD13  LEU  82          HD13      LEU  82  -9.304   3.705   0.835
  606   HD21  LEU  82          HD21      LEU  82 -12.653   2.250   1.347
  607   HD22  LEU  82          HD22      LEU  82 -12.292   3.977   1.465
  608   HD23  LEU  82          HD23      LEU  82 -11.174   2.788   2.139
  609    H    ALA  83           HN       ALA  83 -13.228   2.029  -3.883
  610    HA   ALA  83           HA       ALA  83 -15.335   3.848  -4.365
  611    HB1  ALA  83           HB1      ALA  83 -13.581   3.382  -6.013
  612    HB2  ALA  83           HB2      ALA  83 -15.190   3.111  -6.684
  613    HB3  ALA  83           HB3      ALA  83 -14.195   1.738  -6.198
  614    H    GLU  84           HN       GLU  84 -15.192   0.364  -4.013
  615    HA   GLU  84           HA       GLU  84 -18.017   0.080  -4.637
  616    HB2  GLU  84           HB2      GLU  84 -17.662  -2.328  -4.252
  617    HB3  GLU  84           HB1      GLU  84 -16.503  -1.680  -5.402
  618    HG2  GLU  84           HG2      GLU  84 -14.799  -1.619  -3.681
  619    HG3  GLU  84           HG1      GLU  84 -15.962  -2.200  -2.492
  620    H    ALA  85           HN       ALA  85 -16.563   1.316  -2.119
  621    HA   ALA  85           HA       ALA  85 -18.143  -0.034  -0.084
  622    HB1  ALA  85           HB1      ALA  85 -15.802   0.433   0.479
  623    HB2  ALA  85           HB2      ALA  85 -16.893   1.356   1.516
  624    HB3  ALA  85           HB3      ALA  85 -16.065   2.150   0.176
  625    H    ALA  86           HN       ALA  86 -20.073   0.683   0.190
  626    HA   ALA  86           HA       ALA  86 -20.643   3.527  -0.222
  627    HB1  ALA  86           HB1      ALA  86 -22.964   2.836  -0.702
  628    HB2  ALA  86           HB2      ALA  86 -22.497   1.145  -0.511
  629    HB3  ALA  86           HB3      ALA  86 -21.826   2.099  -1.833
  630    H28  SXD  87          H28B      SXD  87   4.065 -12.130   1.050
  631   H28A  SXD  87          H28A      SXD  87   5.162 -13.020   2.097
  632    H30  SXD  87          H30A      SXD  87   2.069 -14.772   2.594
  633   H30A  SXD  87          H30C      SXD  87   3.453 -13.975   3.343
  634   H30B  SXD  87          H30B      SXD  87   2.288 -13.030   2.412
  635    H31  SXD  87          H31A      SXD  87   3.266 -14.227  -0.893
  636   H31A  SXD  87          H31C      SXD  87   1.984 -14.982   0.052
  637   H31B  SXD  87          H31B      SXD  87   2.136 -13.227   0.018
  638    H32  SXD  87          H32A      SXD  87   5.018 -15.691   2.130
  639   HO33  SXD  87          H33A      SXD  87   4.671 -16.649  -0.291
  640   HN36  SXD  87          H36A      SXD  87   2.890 -16.390   3.207
  641    H37  SXD  87          H37B      SXD  87   2.129 -18.889   3.119
  642   H37A  SXD  87          H37A      SXD  87   1.283 -18.276   1.683
  643    H38  SXD  87          H38A      SXD  87   0.167 -16.558   3.115
  644   H38A  SXD  87          H38B      SXD  87  -0.296 -18.210   3.363
  645   HN41  SXD  87          H41A      SXD  87  -0.782 -16.256   5.205
  646    H42  SXD  87          H42B      SXD  87   0.941 -15.932   7.348
  647   H42A  SXD  87          H42A      SXD  87   0.052 -17.443   7.593
  648    H43  SXD  87          H43B      SXD  87  -1.167 -14.714   7.229
  649   H43A  SXD  87          H43A      SXD  87  -2.055 -16.245   7.287
  650    H1   SXD  87           H1A      SXD  87  -3.575 -15.273   9.211
  651    H1A  SXD  87           H1B      SXD  87  -2.651 -13.758   9.239
  652    H2   SXD  87           H2A      SXD  87  -3.202 -15.638  11.520
  653    H2A  SXD  87           H2B      SXD  87  -4.096 -14.132  11.246
  654    H4   SXD  87           H4B      SXD  87  -0.616 -15.412  12.214
  655    H4A  SXD  87           H4A      SXD  87  -0.405 -13.972  13.208
  656    H6   SXD  87           H6C      SXD  87  -2.068 -17.506  14.287
  657    H6A  SXD  87           H6A      SXD  87  -2.638 -16.845  12.750
  658    H6B  SXD  87           H6B      SXD  87  -3.535 -16.517  14.239
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -21.219  10.508   0.176
    2    H2   MET   1           HT2      MET   1 -20.238  10.681   1.551
    3    H3   MET   1           HT3      MET   1 -20.766   9.159   1.107
    4    HA   MET   1           HA       MET   1 -19.492   9.297  -0.937
    5    HB2  MET   1           HB2      MET   1 -18.473  11.885   0.280
    6    HB3  MET   1           HB1      MET   1 -17.790  11.097  -1.132
    7    HG2  MET   1           HG2      MET   1 -19.104  12.911  -1.898
    8    HG3  MET   1           HG1      MET   1 -19.988  11.434  -2.276
    9    HE1  MET   1           HE1      MET   1 -19.620  13.383   1.154
   10    HE2  MET   1           HE2      MET   1 -21.075  14.380   1.126
   11    HE3  MET   1           HE3      MET   1 -19.795  14.656  -0.055
   12    H    ALA   2           HN       ALA   2 -17.143   8.822  -0.921
   13    HA   ALA   2           HA       ALA   2 -16.184   8.164   1.776
   14    HB1  ALA   2           HB1      ALA   2 -15.828   6.588  -0.784
   15    HB2  ALA   2           HB2      ALA   2 -16.860   6.131   0.570
   16    HB3  ALA   2           HB3      ALA   2 -15.110   6.188   0.777
   17    H    THR   3           HN       THR   3 -13.843   8.260   1.950
   18    HA   THR   3           HA       THR   3 -12.772  10.067  -0.057
   19    HB   THR   3           HB       THR   3 -12.726  11.016   2.203
   20    HG1  THR   3           HG1      THR   3 -10.255  11.228   2.278
   21   HG21  THR   3          HG21      THR   3 -12.554   8.964   3.564
   22   HG22  THR   3          HG22      THR   3 -11.266  10.092   3.983
   23   HG23  THR   3          HG23      THR   3 -10.919   8.696   2.961
   24    H    LEU   4           HN       LEU   4 -11.759   9.101  -1.563
   25    HA   LEU   4           HA       LEU   4 -10.744   6.481  -1.450
   26    HB2  LEU   4           HB2      LEU   4 -10.132   8.683  -3.416
   27    HB3  LEU   4           HB1      LEU   4  -9.738   6.992  -3.644
   28    HG   LEU   4           HG       LEU   4 -12.522   8.144  -3.461
   29   HD11  LEU   4          HD11      LEU   4 -10.983   7.026  -5.795
   30   HD12  LEU   4          HD12      LEU   4 -11.420   8.714  -5.540
   31   HD13  LEU   4          HD13      LEU   4 -12.679   7.509  -5.819
   32   HD21  LEU   4          HD21      LEU   4 -11.605   5.315  -3.983
   33   HD22  LEU   4          HD22      LEU   4 -13.271   5.889  -4.065
   34   HD23  LEU   4          HD23      LEU   4 -12.411   5.887  -2.524
   35    H    LEU   5           HN       LEU   5  -8.569   5.801  -1.691
   36    HA   LEU   5           HA       LEU   5  -6.928   6.873   0.348
   37    HB2  LEU   5           HB2      LEU   5  -7.039   4.485  -0.214
   38    HB3  LEU   5           HB1      LEU   5  -6.360   4.817  -1.789
   39    HG   LEU   5           HG       LEU   5  -4.229   5.458  -0.745
   40   HD11  LEU   5          HD11      LEU   5  -5.573   4.660   1.832
   41   HD12  LEU   5          HD12      LEU   5  -5.084   6.293   1.383
   42   HD13  LEU   5          HD13      LEU   5  -3.863   5.042   1.635
   43   HD21  LEU   5          HD21      LEU   5  -4.608   3.152  -1.432
   44   HD22  LEU   5          HD22      LEU   5  -5.300   2.791   0.150
   45   HD23  LEU   5          HD23      LEU   5  -3.594   3.221   0.013
   46    H    THR   6           HN       THR   6  -5.486   8.458   0.210
   47    HA   THR   6           HA       THR   6  -4.967   9.624  -2.378
   48    HB   THR   6           HB       THR   6  -3.940  11.464  -1.120
   49    HG1  THR   6           HG1      THR   6  -4.582  10.640   1.443
   50   HG21  THR   6          HG21      THR   6  -6.558  10.596   0.126
   51   HG22  THR   6          HG22      THR   6  -6.386  11.512  -1.371
   52   HG23  THR   6          HG23      THR   6  -5.901  12.230   0.165
   53    H    THR   7           HN       THR   7  -2.646  10.384  -2.741
   54    HA   THR   7           HA       THR   7  -0.882   8.184  -2.493
   55    HB   THR   7           HB       THR   7   0.778   9.826  -3.474
   56    HG1  THR   7           HG1      THR   7   0.194  11.822  -3.833
   57   HG21  THR   7          HG21      THR   7  -0.552   8.347  -4.893
   58   HG22  THR   7          HG22      THR   7  -0.342   9.919  -5.666
   59   HG23  THR   7          HG23      THR   7  -1.874   9.513  -4.890
   60    H    ASP   8           HN       ASP   8  -1.340  11.226  -0.901
   61    HA   ASP   8           HA       ASP   8   0.925  11.288   0.753
   62    HB2  ASP   8           HB2      ASP   8  -1.828  12.468   1.062
   63    HB3  ASP   8           HB1      ASP   8  -0.607  12.671   2.310
   64    H    ASP   9           HN       ASP   9  -2.301   9.934   1.371
   65    HA   ASP   9           HA       ASP   9  -1.611   8.930   3.935
   66    HB2  ASP   9           HB2      ASP   9  -3.908   8.300   2.088
   67    HB3  ASP   9           HB1      ASP   9  -3.661   7.393   3.572
   68    H    LEU  10           HN       LEU  10  -1.638   7.484   0.731
   69    HA   LEU  10           HA       LEU  10  -0.952   4.869   1.515
   70    HB2  LEU  10           HB2      LEU  10  -1.795   5.481  -0.731
   71    HB3  LEU  10           HB1      LEU  10  -0.293   6.314  -1.059
   72    HG   LEU  10           HG       LEU  10   0.900   4.139  -0.877
   73   HD11  LEU  10          HD11      LEU  10  -0.401   2.076  -0.947
   74   HD12  LEU  10          HD12      LEU  10  -1.883   3.007  -0.720
   75   HD13  LEU  10          HD13      LEU  10  -0.664   2.967   0.552
   76   HD21  LEU  10          HD21      LEU  10  -1.333   4.235  -2.901
   77   HD22  LEU  10          HD22      LEU  10   0.136   3.265  -3.023
   78   HD23  LEU  10          HD23      LEU  10   0.236   5.024  -3.047
   79    H    ARG  11           HN       ARG  11   0.974   7.702   0.740
   80    HA   ARG  11           HA       ARG  11   3.539   6.645   0.754
   81    HB2  ARG  11           HB2      ARG  11   2.980   8.953   0.099
   82    HB3  ARG  11           HB1      ARG  11   2.627   9.339   1.778
   83    HG2  ARG  11           HG2      ARG  11   4.974   8.879   2.346
   84    HG3  ARG  11           HG1      ARG  11   5.304   8.562   0.643
   85    HD2  ARG  11           HD2      ARG  11   5.959  10.806   1.125
   86    HD3  ARG  11           HD1      ARG  11   4.512  10.857   0.124
   87    HE   ARG  11           HE       ARG  11   4.201  11.026   3.015
   88   HH11  ARG  11          HH11      ARG  11   4.069  12.672  -0.123
   89   HH12  ARG  11          HH12      ARG  11   3.366  14.090   0.487
   90   HH21  ARG  11          HH21      ARG  11   3.199  12.998   3.863
   91   HH22  ARG  11          HH22      ARG  11   2.906  14.293   2.789
   92    H    ARG  12           HN       ARG  12   1.699   8.084   3.421
   93    HA   ARG  12           HA       ARG  12   3.548   7.731   5.457
   94    HB2  ARG  12           HB2      ARG  12   0.536   7.636   5.684
   95    HB3  ARG  12           HB1      ARG  12   1.628   7.742   7.055
   96    HG2  ARG  12           HG2      ARG  12   2.505   9.873   6.037
   97    HG3  ARG  12           HG1      ARG  12   1.168   9.773   4.894
   98    HD2  ARG  12           HD2      ARG  12   0.887   9.853   7.896
   99    HD3  ARG  12           HD1      ARG  12   0.705  11.239   6.830
  100    HE   ARG  12           HE       ARG  12  -1.089   9.614   5.805
  101   HH11  ARG  12          HH11      ARG  12  -0.447  10.257   9.260
  102   HH12  ARG  12          HH12      ARG  12  -2.095  10.184   9.702
  103   HH21  ARG  12          HH21      ARG  12  -3.387   9.528   6.493
  104   HH22  ARG  12          HH22      ARG  12  -3.740   9.800   8.142
  105    H    ALA  13           HN       ALA  13   1.115   5.490   4.305
  106    HA   ALA  13           HA       ALA  13   1.537   3.453   6.176
  107    HB1  ALA  13           HB1      ALA  13   0.683   3.174   3.292
  108    HB2  ALA  13           HB2      ALA  13  -0.388   3.495   4.657
  109    HB3  ALA  13           HB3      ALA  13   0.480   1.962   4.556
  110    H    LEU  14           HN       LEU  14   2.804   3.559   2.787
  111    HA   LEU  14           HA       LEU  14   4.567   1.474   2.963
  112    HB2  LEU  14           HB2      LEU  14   4.474   3.926   1.272
  113    HB3  LEU  14           HB1      LEU  14   5.862   2.868   1.179
  114    HG   LEU  14           HG       LEU  14   4.364   1.018   0.563
  115   HD11  LEU  14          HD11      LEU  14   2.122   1.436  -0.222
  116   HD12  LEU  14          HD12      LEU  14   2.210   3.087   0.405
  117   HD13  LEU  14          HD13      LEU  14   2.292   1.712   1.511
  118   HD21  LEU  14          HD21      LEU  14   3.960   1.778  -1.733
  119   HD22  LEU  14          HD22      LEU  14   5.552   2.248  -1.137
  120   HD23  LEU  14          HD23      LEU  14   4.253   3.436  -1.213
  121    H    VAL  15           HN       VAL  15   5.059   4.743   4.045
  122    HA   VAL  15           HA       VAL  15   7.853   4.464   4.489
  123    HB   VAL  15           HB       VAL  15   5.809   6.409   5.646
  124   HG11  VAL  15          HG11      VAL  15   8.812   6.462   5.909
  125   HG12  VAL  15          HG12      VAL  15   7.637   6.220   7.219
  126   HG13  VAL  15          HG13      VAL  15   7.720   7.765   6.380
  127   HG21  VAL  15          HG21      VAL  15   6.212   6.650   3.264
  128   HG22  VAL  15          HG22      VAL  15   7.950   6.750   3.554
  129   HG23  VAL  15          HG23      VAL  15   6.880   8.019   4.152
  130    H    GLU  16           HN       GLU  16   5.098   4.365   6.780
  131    HA   GLU  16           HA       GLU  16   6.853   3.695   8.918
  132    HB2  GLU  16           HB2      GLU  16   4.962   3.798  10.350
  133    HB3  GLU  16           HB1      GLU  16   4.870   5.051   9.114
  134    HG2  GLU  16           HG2      GLU  16   3.234   3.815   7.888
  135    HG3  GLU  16           HG1      GLU  16   3.383   2.493   9.059
  136    H    SER  17           HN       SER  17   4.905   1.758   6.811
  137    HA   SER  17           HA       SER  17   5.080  -0.535   8.512
  138    HB2  SER  17           HB2      SER  17   4.231  -1.857   6.502
  139    HB3  SER  17           HB1      SER  17   3.207  -0.524   7.020
  140    HG   SER  17           HG       SER  17   5.114  -0.332   4.910
  141    H    ALA  18           HN       ALA  18   7.434   0.911   6.794
  142    HA   ALA  18           HA       ALA  18   9.007  -1.578   6.624
  143    HB1  ALA  18           HB1      ALA  18  10.522  -0.307   5.102
  144    HB2  ALA  18           HB2      ALA  18   9.428   1.068   5.192
  145    HB3  ALA  18           HB3      ALA  18   8.887  -0.438   4.460
  146    H    GLY  19           HN       GLY  19   9.807   1.800   6.815
  147    HA2  GLY  19           HA2      GLY  19  10.693   1.839   9.468
  148    HA3  GLY  19           HA1      GLY  19  12.049   1.682   8.333
  149    H    GLU  20           HN       GLU  20  10.420   3.910   9.932
  150    HA   GLU  20           HA       GLU  20   9.538   5.614   7.910
  151    HB2  GLU  20           HB2      GLU  20  10.176   6.193  10.785
  152    HB3  GLU  20           HB1      GLU  20   9.461   7.374   9.694
  153    HG2  GLU  20           HG2      GLU  20   7.562   5.901   9.319
  154    HG3  GLU  20           HG1      GLU  20   8.279   4.699  10.390
  155    H    THR  21           HN       THR  21  10.637   6.426   6.399
  156    HA   THR  21           HA       THR  21  12.197   7.360   5.167
  157    HB   THR  21           HB       THR  21  13.049   8.869   7.682
  158    HG1  THR  21           HG1      THR  21  10.995   9.321   7.577
  159   HG21  THR  21          HG21      THR  21  13.094   9.655   4.742
  160   HG22  THR  21          HG22      THR  21  14.512   9.200   5.685
  161   HG23  THR  21          HG23      THR  21  13.618  10.665   6.090
  162    H    ASP  22           HN       ASP  22  12.677   4.906   6.235
  163    HA   ASP  22           HA       ASP  22  15.587   4.882   6.061
  164    HB2  ASP  22           HB2      ASP  22  14.926   4.176   8.351
  165    HB3  ASP  22           HB1      ASP  22  13.872   2.947   7.662
  166    H    GLY  23           HN       GLY  23  15.102   4.926   3.885
  167    HA2  GLY  23           HA2      GLY  23  15.517   3.541   1.998
  168    HA3  GLY  23           HA1      GLY  23  14.600   2.253   2.778
  169    H    THR  24           HN       THR  24  12.744   4.513   3.631
  170    HA   THR  24           HA       THR  24  11.010   4.154   1.358
  171    HB   THR  24           HB       THR  24   9.244   4.868   3.027
  172    HG1  THR  24           HG1      THR  24  10.555   4.149   5.226
  173   HG21  THR  24          HG21      THR  24   9.672   2.549   2.365
  174   HG22  THR  24          HG22      THR  24   9.224   2.650   4.069
  175   HG23  THR  24          HG23      THR  24  10.913   2.418   3.606
  176    H    ASP  25           HN       ASP  25  12.006   5.780   0.118
  177    HA   ASP  25           HA       ASP  25  11.220   8.483   0.910
  178    HB2  ASP  25           HB2      ASP  25  13.141   7.561  -1.246
  179    HB3  ASP  25           HB1      ASP  25  12.606   9.226  -1.074
  180    H    LEU  26           HN       LEU  26   9.093   8.429   0.488
  181    HA   LEU  26           HA       LEU  26   8.326   7.971  -2.321
  182    HB2  LEU  26           HB2      LEU  26   6.628   7.540   0.162
  183    HB3  LEU  26           HB1      LEU  26   6.068   7.364  -1.477
  184    HG   LEU  26           HG       LEU  26   6.274   5.205  -0.718
  185   HD11  LEU  26          HD11      LEU  26   7.251   5.338  -2.856
  186   HD12  LEU  26          HD12      LEU  26   8.107   4.132  -1.894
  187   HD13  LEU  26          HD13      LEU  26   8.828   5.716  -2.168
  188   HD21  LEU  26          HD21      LEU  26   8.183   4.269   0.501
  189   HD22  LEU  26          HD22      LEU  26   7.417   5.595   1.371
  190   HD23  LEU  26          HD23      LEU  26   8.939   5.861   0.516
  191    H    SER  27           HN       SER  27   9.258  10.353  -0.802
  192    HA   SER  27           HA       SER  27   6.996  11.977  -0.117
  193    HB2  SER  27           HB2      SER  27   9.866  12.635  -0.378
  194    HB3  SER  27           HB1      SER  27   8.673  13.631   0.459
  195    HG   SER  27           HG       SER  27  10.114  11.612   1.428
  196    H    GLY  28           HN       GLY  28   7.028  11.182  -2.875
  197    HA2  GLY  28           HA2      GLY  28   6.517  13.738  -4.102
  198    HA3  GLY  28           HA1      GLY  28   7.785  12.778  -4.886
  199    H    ASP  29           HN       ASP  29   6.676  12.078  -6.745
  200    HA   ASP  29           HA       ASP  29   4.263  10.564  -6.159
  201    HB2  ASP  29           HB2      ASP  29   4.310  11.984  -8.229
  202    HB3  ASP  29           HB1      ASP  29   5.596  10.952  -8.852
  203    H    PHE  30           HN       PHE  30   4.229   8.428  -6.164
  204    HA   PHE  30           HA       PHE  30   6.792   7.095  -6.611
  205    HB2  PHE  30           HB2      PHE  30   6.440   5.832  -4.509
  206    HB3  PHE  30           HB1      PHE  30   6.690   7.550  -4.256
  207    HD1  PHE  30           HD2      PHE  30   4.672   8.993  -3.727
  208    HD2  PHE  30           HD1      PHE  30   4.536   4.747  -3.716
  209    HE1  PHE  30           HE2      PHE  30   2.626   9.069  -2.383
  210    HE2  PHE  30           HE1      PHE  30   2.489   4.816  -2.366
  211    HZ   PHE  30           HZ       PHE  30   1.531   6.976  -1.698
  212    H    LEU  31           HN       LEU  31   4.187   7.216  -8.084
  213    HA   LEU  31           HA       LEU  31   3.173   4.563  -7.581
  214    HB2  LEU  31           HB2      LEU  31   2.136   6.754  -9.343
  215    HB3  LEU  31           HB1      LEU  31   1.512   5.123  -9.446
  216    HG   LEU  31           HG       LEU  31   0.904   5.285  -7.015
  217   HD11  LEU  31          HD11      LEU  31   0.694   7.486  -5.999
  218   HD12  LEU  31          HD12      LEU  31   1.533   8.202  -7.377
  219   HD13  LEU  31          HD13      LEU  31   2.376   7.067  -6.323
  220   HD21  LEU  31          HD21      LEU  31  -0.750   5.544  -8.753
  221   HD22  LEU  31          HD22      LEU  31  -0.371   7.260  -8.892
  222   HD23  LEU  31          HD23      LEU  31  -1.093   6.634  -7.411
  223    H    ASP  32           HN       ASP  32   5.464   5.924  -9.652
  224    HA   ASP  32           HA       ASP  32   5.163   3.711 -11.548
  225    HB2  ASP  32           HB2      ASP  32   7.022   6.097 -11.593
  226    HB3  ASP  32           HB1      ASP  32   7.111   4.781 -12.753
  227    H    LEU  33           HN       LEU  33   6.394   4.097  -8.667
  228    HA   LEU  33           HA       LEU  33   8.985   2.867  -8.978
  229    HB2  LEU  33           HB2      LEU  33   7.278   3.283  -6.565
  230    HB3  LEU  33           HB1      LEU  33   8.964   2.788  -6.519
  231    HG   LEU  33           HG       LEU  33   7.814   5.467  -7.253
  232   HD11  LEU  33          HD11      LEU  33   9.810   4.597  -5.182
  233   HD12  LEU  33          HD12      LEU  33   8.133   5.073  -4.903
  234   HD13  LEU  33          HD13      LEU  33   9.305   6.259  -5.477
  235   HD21  LEU  33          HD21      LEU  33  10.678   4.571  -7.605
  236   HD22  LEU  33          HD22      LEU  33  10.094   6.225  -7.777
  237   HD23  LEU  33          HD23      LEU  33   9.550   4.976  -8.898
  238    H    ARG  34           HN       ARG  34   9.416   0.813  -7.745
  239    HA   ARG  34           HA       ARG  34   7.071  -0.946  -7.794
  240    HB2  ARG  34           HB2      ARG  34   9.843  -1.666  -8.759
  241    HB3  ARG  34           HB1      ARG  34   8.543  -2.829  -8.533
  242    HG2  ARG  34           HG2      ARG  34   7.206  -1.486 -10.201
  243    HG3  ARG  34           HG1      ARG  34   8.683  -0.582 -10.531
  244    HD2  ARG  34           HD2      ARG  34   8.320  -3.563 -10.838
  245    HD3  ARG  34           HD1      ARG  34   8.338  -2.391 -12.149
  246    HE   ARG  34           HE       ARG  34  10.664  -1.916 -11.509
  247   HH11  ARG  34          HH11      ARG  34   9.226  -5.006 -10.523
  248   HH12  ARG  34          HH12      ARG  34  10.676  -5.868 -10.505
  249   HH21  ARG  34          HH21      ARG  34  12.707  -3.120 -11.576
  250   HH22  ARG  34          HH22      ARG  34  12.735  -4.752 -11.079
  251    H    PHE  35           HN       PHE  35   7.138  -2.751  -6.345
  252    HA   PHE  35           HA       PHE  35   8.216  -1.918  -3.857
  253    HB2  PHE  35           HB2      PHE  35   6.617  -4.348  -4.603
  254    HB3  PHE  35           HB1      PHE  35   7.232  -4.077  -2.974
  255    HD1  PHE  35           HD1      PHE  35   6.787  -1.522  -2.203
  256    HD2  PHE  35           HD2      PHE  35   4.432  -3.778  -4.902
  257    HE1  PHE  35           HE1      PHE  35   4.857  -0.112  -1.677
  258    HE2  PHE  35           HE2      PHE  35   2.496  -2.367  -4.392
  259    HZ   PHE  35           HZ       PHE  35   2.705  -0.531  -2.779
  260    H    GLU  36           HN       GLU  36   9.251  -4.228  -6.225
  261    HA   GLU  36           HA       GLU  36  11.115  -5.594  -4.626
  262    HB2  GLU  36           HB2      GLU  36  11.364  -4.863  -7.553
  263    HB3  GLU  36           HB1      GLU  36  12.305  -6.091  -6.724
  264    HG2  GLU  36           HG2      GLU  36   9.330  -6.134  -7.175
  265    HG3  GLU  36           HG1      GLU  36  10.528  -7.069  -8.062
  266    H    ASP  37           HN       ASP  37  11.217  -2.523  -6.254
  267    HA   ASP  37           HA       ASP  37  13.933  -1.867  -5.824
  268    HB2  ASP  37           HB2      ASP  37  11.483  -0.242  -6.403
  269    HB3  ASP  37           HB1      ASP  37  13.009   0.540  -6.050
  270    H    ILE  38           HN       ILE  38  10.974  -1.023  -4.045
  271    HA   ILE  38           HA       ILE  38  12.636   0.256  -2.048
  272    HB   ILE  38           HB       ILE  38  10.554   1.017  -0.951
  273   HG12  ILE  38          HG12      ILE  38   9.195  -0.225  -3.362
  274   HG13  ILE  38          HG11      ILE  38   9.057  -0.804  -1.706
  275   HG21  ILE  38          HG21      ILE  38  10.859   1.667  -3.874
  276   HG22  ILE  38          HG22      ILE  38  11.719   2.422  -2.529
  277   HG23  ILE  38          HG23      ILE  38   9.976   2.653  -2.704
  278   HD11  ILE  38          HD11      ILE  38   8.117   1.867  -2.729
  279   HD12  ILE  38          HD12      ILE  38   7.973   1.289  -1.067
  280   HD13  ILE  38          HD13      ILE  38   7.100   0.474  -2.365
  281    H    GLY  39           HN       GLY  39  12.284  -2.730  -2.397
  282    HA2  GLY  39           HA2      GLY  39  12.722  -4.487  -0.973
  283    HA3  GLY  39           HA1      GLY  39  12.971  -3.294   0.290
  284    H    TYR  40           HN       TYR  40  10.115  -4.256  -1.588
  285    HA   TYR  40           HA       TYR  40   8.805  -4.811   0.971
  286    HB2  TYR  40           HB2      TYR  40   7.961  -3.102  -1.242
  287    HB3  TYR  40           HB1      TYR  40   6.719  -4.199  -0.660
  288    HD1  TYR  40           HD1      TYR  40   9.033  -1.531   0.298
  289    HD2  TYR  40           HD2      TYR  40   5.629  -3.791   1.438
  290    HE1  TYR  40           HE1      TYR  40   8.620   0.044   2.113
  291    HE2  TYR  40           HE2      TYR  40   5.199  -2.211   3.278
  292    HH   TYR  40           HH       TYR  40   6.317  -0.563   4.573
  293    H    ASP  41           HN       ASP  41   8.664  -6.894   1.162
  294    HA   ASP  41           HA       ASP  41   7.817  -8.514  -1.098
  295    HB2  ASP  41           HB2      ASP  41   8.100 -10.481   0.342
  296    HB3  ASP  41           HB1      ASP  41   9.538  -9.484   0.435
  297    H    SER  42           HN       SER  42   6.085 -10.304  -0.215
  298    HA   SER  42           HA       SER  42   3.686  -8.895  -0.262
  299    HB2  SER  42           HB2      SER  42   2.752 -11.188   0.208
  300    HB3  SER  42           HB1      SER  42   3.762 -11.012  -1.237
  301    H    LEU  43           HN       LEU  43   5.409 -10.376   2.470
  302    HA   LEU  43           HA       LEU  43   3.199 -10.077   4.290
  303    HB2  LEU  43           HB2      LEU  43   4.986 -11.760   4.624
  304    HB3  LEU  43           HB1      LEU  43   6.138 -10.466   4.868
  305    HG   LEU  43           HG       LEU  43   4.788  -9.760   6.862
  306   HD11  LEU  43          HD11      LEU  43   3.259 -11.390   7.841
  307   HD12  LEU  43          HD12      LEU  43   3.407 -12.388   6.393
  308   HD13  LEU  43          HD13      LEU  43   2.681 -10.786   6.290
  309   HD21  LEU  43          HD21      LEU  43   5.947 -12.540   6.889
  310   HD22  LEU  43          HD22      LEU  43   5.668 -11.515   8.301
  311   HD23  LEU  43          HD23      LEU  43   6.839 -11.028   7.078
  312    H    ALA  44           HN       ALA  44   5.912  -8.240   3.275
  313    HA   ALA  44           HA       ALA  44   5.729  -6.188   5.220
  314    HB1  ALA  44           HB1      ALA  44   7.050  -4.848   3.648
  315    HB2  ALA  44           HB2      ALA  44   6.776  -6.055   2.389
  316    HB3  ALA  44           HB3      ALA  44   7.717  -6.471   3.822
  317    H    LEU  45           HN       LEU  45   4.294  -6.700   2.054
  318    HA   LEU  45           HA       LEU  45   2.839  -4.282   1.947
  319    HB2  LEU  45           HB2      LEU  45   2.374  -6.906   0.543
  320    HB3  LEU  45           HB1      LEU  45   1.482  -5.439   0.198
  321    HG   LEU  45           HG       LEU  45   4.459  -5.784  -0.152
  322   HD11  LEU  45          HD11      LEU  45   3.970  -5.679  -2.527
  323   HD12  LEU  45          HD12      LEU  45   2.246  -5.594  -2.174
  324   HD13  LEU  45          HD13      LEU  45   3.154  -7.060  -1.785
  325   HD21  LEU  45          HD21      LEU  45   2.618  -3.507  -0.845
  326   HD22  LEU  45          HD22      LEU  45   4.329  -3.611  -1.263
  327   HD23  LEU  45          HD23      LEU  45   3.837  -3.510   0.430
  328    H    MET  46           HN       MET  46   2.132  -7.395   3.350
  329    HA   MET  46           HA       MET  46  -0.606  -7.021   3.947
  330    HB2  MET  46           HB2      MET  46   1.477  -8.474   5.587
  331    HB3  MET  46           HB1      MET  46  -0.261  -8.630   5.777
  332    HG2  MET  46           HG2      MET  46   1.345  -9.374   3.388
  333    HG3  MET  46           HG1      MET  46   0.719 -10.497   4.591
  334    HE1  MET  46           HE1      MET  46  -3.169 -10.019   4.090
  335    HE2  MET  46           HE2      MET  46  -2.137  -9.069   5.159
  336    HE3  MET  46           HE3      MET  46  -1.917 -10.815   5.042
  337    H    GLU  47           HN       GLU  47   2.325  -6.147   5.523
  338    HA   GLU  47           HA       GLU  47   1.314  -5.218   7.973
  339    HB2  GLU  47           HB2      GLU  47   3.639  -5.978   7.267
  340    HB3  GLU  47           HB1      GLU  47   3.848  -4.388   6.571
  341    HG2  GLU  47           HG2      GLU  47   4.880  -4.588   8.758
  342    HG3  GLU  47           HG1      GLU  47   3.603  -3.358   8.752
  343    H    THR  48           HN       THR  48   1.814  -3.784   4.831
  344    HA   THR  48           HA       THR  48   1.261  -1.076   5.535
  345    HB   THR  48           HB       THR  48   1.060  -2.481   2.857
  346    HG1  THR  48           HG1      THR  48   3.301  -1.334   4.187
  347   HG21  THR  48          HG21      THR  48   1.593  -0.265   1.943
  348   HG22  THR  48          HG22      THR  48   1.632   0.400   3.576
  349   HG23  THR  48          HG23      THR  48   0.118  -0.214   2.909
  350    H    ALA  49           HN       ALA  49  -0.533  -3.599   3.684
  351    HA   ALA  49           HA       ALA  49  -2.837  -2.195   3.202
  352    HB1  ALA  49           HB1      ALA  49  -3.791  -4.315   2.557
  353    HB2  ALA  49           HB2      ALA  49  -2.505  -5.179   3.403
  354    HB3  ALA  49           HB3      ALA  49  -2.125  -4.196   1.988
  355    H    ALA  50           HN       ALA  50  -2.126  -4.460   5.858
  356    HA   ALA  50           HA       ALA  50  -4.640  -4.795   6.928
  357    HB1  ALA  50           HB1      ALA  50  -3.564  -5.311   9.031
  358    HB2  ALA  50           HB2      ALA  50  -2.094  -4.495   8.505
  359    HB3  ALA  50           HB3      ALA  50  -2.618  -5.973   7.695
  360    H    ARG  51           HN       ARG  51  -2.383  -2.202   7.600
  361    HA   ARG  51           HA       ARG  51  -3.931  -0.899   9.550
  362    HB2  ARG  51           HB2      ARG  51  -1.587  -0.460   9.439
  363    HB3  ARG  51           HB1      ARG  51  -1.702   0.049   7.761
  364    HG2  ARG  51           HG2      ARG  51  -2.815   2.061   8.377
  365    HG3  ARG  51           HG1      ARG  51  -2.994   1.512  10.045
  366    HD2  ARG  51           HD2      ARG  51  -0.625   1.593  10.385
  367    HD3  ARG  51           HD1      ARG  51  -0.347   1.944   8.681
  368    HE   ARG  51           HE       ARG  51  -0.630   4.115   9.147
  369   HH11  ARG  51          HH11      ARG  51  -2.307   2.384  11.795
  370   HH12  ARG  51          HH12      ARG  51  -2.860   3.801  12.519
  371   HH21  ARG  51          HH21      ARG  51  -1.392   6.013  10.189
  372   HH22  ARG  51          HH22      ARG  51  -2.348   5.926  11.611
  373    H    LEU  52           HN       LEU  52  -3.674  -0.445   6.066
  374    HA   LEU  52           HA       LEU  52  -5.434   1.798   6.043
  375    HB2  LEU  52           HB2      LEU  52  -4.521   0.028   3.777
  376    HB3  LEU  52           HB1      LEU  52  -5.400   1.534   3.582
  377    HG   LEU  52           HG       LEU  52  -2.636   1.260   4.774
  378   HD11  LEU  52          HD11      LEU  52  -2.648   0.871   2.378
  379   HD12  LEU  52          HD12      LEU  52  -1.882   2.411   2.769
  380   HD13  LEU  52          HD13      LEU  52  -3.528   2.382   2.130
  381   HD21  LEU  52          HD21      LEU  52  -3.889   3.108   5.772
  382   HD22  LEU  52          HD22      LEU  52  -4.268   3.727   4.165
  383   HD23  LEU  52          HD23      LEU  52  -2.598   3.707   4.730
  384    H    GLU  53           HN       GLU  53  -5.830  -1.648   5.369
  385    HA   GLU  53           HA       GLU  53  -8.472  -1.786   4.609
  386    HB2  GLU  53           HB2      GLU  53  -6.963  -3.638   6.446
  387    HB3  GLU  53           HB1      GLU  53  -8.526  -4.022   5.739
  388    HG2  GLU  53           HG2      GLU  53  -7.275  -3.826   3.481
  389    HG3  GLU  53           HG1      GLU  53  -5.832  -3.781   4.476
  390    H    SER  54           HN       SER  54  -7.112  -1.837   7.867
  391    HA   SER  54           HA       SER  54  -9.602  -2.028   9.178
  392    HB2  SER  54           HB2      SER  54  -6.941  -1.128  10.278
  393    HB3  SER  54           HB1      SER  54  -8.314  -1.746  11.205
  394    HG   SER  54           HG       SER  54  -6.483  -3.079   9.593
  395    H    ARG  55           HN       ARG  55  -7.559   0.700   8.291
  396    HA   ARG  55           HA       ARG  55  -8.976   2.597   9.864
  397    HB2  ARG  55           HB2      ARG  55  -6.664   2.957   9.133
  398    HB3  ARG  55           HB1      ARG  55  -7.209   3.045   7.461
  399    HG2  ARG  55           HG2      ARG  55  -8.576   5.003   8.044
  400    HG3  ARG  55           HG1      ARG  55  -7.927   4.936   9.680
  401    HD2  ARG  55           HD2      ARG  55  -5.669   5.220   8.769
  402    HD3  ARG  55           HD1      ARG  55  -6.359   5.350   7.149
  403    HE   ARG  55           HE       ARG  55  -7.291   7.166   9.216
  404   HH11  ARG  55          HH11      ARG  55  -5.573   6.707   6.163
  405   HH12  ARG  55          HH12      ARG  55  -5.304   8.357   5.889
  406   HH21  ARG  55          HH21      ARG  55  -6.933   9.430   8.868
  407   HH22  ARG  55          HH22      ARG  55  -6.177   9.968   7.440
  408    H    TYR  56           HN       TYR  56  -9.062   1.792   6.381
  409    HA   TYR  56           HA       TYR  56 -11.146   3.723   5.989
  410    HB2  TYR  56           HB2      TYR  56  -9.680   1.901   4.109
  411    HB3  TYR  56           HB1      TYR  56 -11.020   2.917   3.594
  412    HD1  TYR  56           HD1      TYR  56  -7.554   2.913   4.808
  413    HD2  TYR  56           HD2      TYR  56 -10.774   5.300   3.402
  414    HE1  TYR  56           HE1      TYR  56  -6.019   4.775   4.496
  415    HE2  TYR  56           HE2      TYR  56  -9.248   7.195   3.078
  416    HH   TYR  56           HH       TYR  56  -7.135   8.003   3.705
  417    H    GLY  57           HN       GLY  57 -11.069   0.434   6.784
  418    HA2  GLY  57           HA2      GLY  57 -12.916  -0.860   7.353
  419    HA3  GLY  57           HA1      GLY  57 -13.956   0.379   6.657
  420    H    VAL  58           HN       VAL  58 -11.291  -1.430   5.220
  421    HA   VAL  58           HA       VAL  58 -13.212  -2.587   3.345
  422    HB   VAL  58           HB       VAL  58 -11.583  -2.427   1.493
  423   HG11  VAL  58          HG11      VAL  58 -11.588  -0.033   1.132
  424   HG12  VAL  58          HG12      VAL  58 -11.886   0.218   2.845
  425   HG13  VAL  58          HG13      VAL  58 -13.135  -0.544   1.840
  426   HG21  VAL  58          HG21      VAL  58  -9.492  -2.524   2.781
  427   HG22  VAL  58          HG22      VAL  58  -9.841  -0.897   3.411
  428   HG23  VAL  58          HG23      VAL  58  -9.535  -1.125   1.697
  429    H    SER  59           HN       SER  59 -12.009  -4.534   2.116
  430    HA   SER  59           HA       SER  59 -10.206  -5.922   3.904
  431    HB2  SER  59           HB2      SER  59 -11.735  -7.957   3.798
  432    HB3  SER  59           HB1      SER  59 -12.260  -6.650   4.860
  433    HG   SER  59           HG       SER  59 -13.126  -6.838   2.175
  434    H    ILE  60           HN       ILE  60  -8.654  -6.653   2.656
  435    HA   ILE  60           HA       ILE  60  -9.308  -7.499  -0.088
  436    HB   ILE  60           HB       ILE  60  -6.783  -6.162   0.948
  437   HG12  ILE  60          HG12      ILE  60  -8.891  -5.180  -0.990
  438   HG13  ILE  60          HG11      ILE  60  -8.684  -4.639   0.673
  439   HG21  ILE  60          HG21      ILE  60  -5.993  -6.171  -1.377
  440   HG22  ILE  60          HG22      ILE  60  -7.408  -7.109  -1.857
  441   HG23  ILE  60          HG23      ILE  60  -6.216  -7.811  -0.764
  442   HD11  ILE  60          HD11      ILE  60  -6.713  -4.286  -1.565
  443   HD12  ILE  60          HD12      ILE  60  -6.496  -3.747   0.099
  444   HD13  ILE  60          HD13      ILE  60  -7.774  -3.046  -0.893
  445    HA   PRO  61           HA       PRO  61  -7.831 -11.588   1.074
  446    HB2  PRO  61           HB2      PRO  61  -6.905 -11.514  -1.762
  447    HB3  PRO  61           HB1      PRO  61  -7.820 -12.770  -0.928
  448    HG2  PRO  61           HG2      PRO  61  -9.043 -11.140  -2.613
  449    HG3  PRO  61           HG1      PRO  61  -9.824 -11.571  -1.078
  450    HD2  PRO  61           HD2      PRO  61  -8.454  -9.042  -1.864
  451    HD3  PRO  61           HD1      PRO  61  -9.894  -9.280  -0.853
  452    H    ASP  62           HN       ASP  62  -5.933 -12.351   1.802
  453    HA   ASP  62           HA       ASP  62  -3.669 -10.798   2.207
  454    HB2  ASP  62           HB2      ASP  62  -3.797 -13.829   2.142
  455    HB3  ASP  62           HB1      ASP  62  -2.581 -12.861   2.953
  456    H    ASP  63           HN       ASP  63  -4.243 -13.358  -0.109
  457    HA   ASP  63           HA       ASP  63  -1.657 -13.398  -1.269
  458    HB2  ASP  63           HB2      ASP  63  -4.297 -14.383  -2.343
  459    HB3  ASP  63           HB1      ASP  63  -2.770 -14.616  -3.176
  460    H    VAL  64           HN       VAL  64  -4.451 -11.471  -1.876
  461    HA   VAL  64           HA       VAL  64  -3.439 -10.603  -4.436
  462    HB   VAL  64           HB       VAL  64  -5.892  -9.599  -2.943
  463   HG11  VAL  64          HG11      VAL  64  -6.612  -8.728  -5.113
  464   HG12  VAL  64          HG12      VAL  64  -5.091  -9.256  -5.834
  465   HG13  VAL  64          HG13      VAL  64  -5.094  -7.994  -4.601
  466   HG21  VAL  64          HG21      VAL  64  -5.668 -11.636  -5.155
  467   HG22  VAL  64          HG22      VAL  64  -7.175 -11.016  -4.484
  468   HG23  VAL  64          HG23      VAL  64  -6.081 -11.966  -3.473
  469    H    ALA  65           HN       ALA  65  -3.524  -9.525  -1.149
  470    HA   ALA  65           HA       ALA  65  -2.767  -6.837  -1.531
  471    HB1  ALA  65           HB1      ALA  65  -3.603  -7.701   0.625
  472    HB2  ALA  65           HB2      ALA  65  -2.027  -6.926   0.809
  473    HB3  ALA  65           HB3      ALA  65  -2.145  -8.683   0.780
  474    H    GLY  66           HN       GLY  66  -0.914  -9.775  -0.909
  475    HA2  GLY  66           HA2      GLY  66   1.569  -8.383  -1.552
  476    HA3  GLY  66           HA1      GLY  66   1.433 -10.050  -0.979
  477    H    ARG  67           HN       ARG  67  -0.045  -8.332  -3.659
  478    HA   ARG  67           HA       ARG  67   1.370 -10.092  -5.537
  479    HB2  ARG  67           HB2      ARG  67  -0.942 -10.911  -5.094
  480    HB3  ARG  67           HB1      ARG  67  -1.571  -9.361  -5.607
  481    HG2  ARG  67           HG2      ARG  67   0.084 -10.428  -7.660
  482    HG3  ARG  67           HG1      ARG  67  -1.079 -11.656  -7.145
  483    HD2  ARG  67           HD2      ARG  67  -2.071 -10.357  -8.929
  484    HD3  ARG  67           HD1      ARG  67  -2.895  -9.966  -7.421
  485    HE   ARG  67           HE       ARG  67  -0.687  -8.257  -8.158
  486   HH11  ARG  67          HH11      ARG  67  -4.261  -8.623  -8.175
  487   HH12  ARG  67          HH12      ARG  67  -4.522  -6.980  -8.483
  488   HH21  ARG  67          HH21      ARG  67  -1.132  -6.038  -8.688
  489   HH22  ARG  67          HH22      ARG  67  -2.747  -5.484  -8.841
  490    H    VAL  68           HN       VAL  68   0.741  -7.023  -4.500
  491    HA   VAL  68           HA       VAL  68   0.422  -5.822  -7.098
  492    HB   VAL  68           HB       VAL  68   0.370  -3.642  -5.877
  493   HG11  VAL  68          HG11      VAL  68  -1.502  -5.770  -4.857
  494   HG12  VAL  68          HG12      VAL  68  -1.672  -4.858  -6.355
  495   HG13  VAL  68          HG13      VAL  68  -1.794  -4.030  -4.801
  496   HG21  VAL  68          HG21      VAL  68   0.544  -5.383  -3.412
  497   HG22  VAL  68          HG22      VAL  68   0.189  -3.654  -3.427
  498   HG23  VAL  68          HG23      VAL  68   1.769  -4.236  -3.952
  499    H    ASP  69           HN       ASP  69   1.887  -5.084  -8.318
  500    HA   ASP  69           HA       ASP  69   4.679  -5.427  -7.725
  501    HB2  ASP  69           HB2      ASP  69   3.285  -4.239 -10.125
  502    HB3  ASP  69           HB1      ASP  69   5.028  -4.397 -10.000
  503    H    THR  70           HN       THR  70   2.717  -2.558  -8.525
  504    HA   THR  70           HA       THR  70   4.920  -0.906  -7.520
  505    HB   THR  70           HB       THR  70   4.006   0.865  -8.942
  506    HG1  THR  70           HG1      THR  70   2.289  -0.122 -10.488
  507   HG21  THR  70          HG21      THR  70   5.588  -0.700 -10.004
  508   HG22  THR  70          HG22      THR  70   4.389  -0.122 -11.167
  509   HG23  THR  70          HG23      THR  70   4.240  -1.738 -10.477
  510    HA   PRO  71           HA       PRO  71   2.165   0.748  -4.344
  511    HB2  PRO  71           HB2      PRO  71   3.042   3.418  -5.349
  512    HB3  PRO  71           HB1      PRO  71   3.031   2.792  -3.691
  513    HG2  PRO  71           HG2      PRO  71   5.316   2.967  -4.988
  514    HG3  PRO  71           HG1      PRO  71   4.955   1.515  -4.027
  515    HD2  PRO  71           HD2      PRO  71   4.796   1.905  -6.993
  516    HD3  PRO  71           HD1      PRO  71   5.434   0.527  -6.071
  517    H    ARG  72           HN       ARG  72   2.186   2.002  -7.628
  518    HA   ARG  72           HA       ARG  72  -0.356   3.233  -7.664
  519    HB2  ARG  72           HB2      ARG  72   1.135   3.433  -9.587
  520    HB3  ARG  72           HB1      ARG  72   1.021   1.703  -9.886
  521    HG2  ARG  72           HG2      ARG  72  -1.379   1.960 -10.371
  522    HG3  ARG  72           HG1      ARG  72  -1.230   3.696 -10.116
  523    HD2  ARG  72           HD2      ARG  72   0.280   2.106 -12.183
  524    HD3  ARG  72           HD1      ARG  72  -1.176   3.046 -12.493
  525    HE   ARG  72           HE       ARG  72   0.153   4.997 -11.686
  526   HH11  ARG  72          HH11      ARG  72   1.639   2.252 -13.363
  527   HH12  ARG  72          HH12      ARG  72   3.020   3.108 -13.857
  528   HH21  ARG  72          HH21      ARG  72   2.033   6.205 -12.417
  529   HH22  ARG  72          HH22      ARG  72   3.224   5.408 -13.329
  530    H    GLU  73           HN       GLU  73   0.570  -0.135  -8.332
  531    HA   GLU  73           HA       GLU  73  -1.999  -1.151  -8.793
  532    HB2  GLU  73           HB2      GLU  73   0.343  -2.594  -7.526
  533    HB3  GLU  73           HB1      GLU  73  -1.068  -3.353  -8.231
  534    HG2  GLU  73           HG2      GLU  73   1.035  -1.770  -9.689
  535    HG3  GLU  73           HG1      GLU  73   0.841  -3.517  -9.700
  536    H    LEU  74           HN       LEU  74  -0.106  -0.846  -5.817
  537    HA   LEU  74           HA       LEU  74  -1.938  -2.103  -4.072
  538    HB2  LEU  74           HB2      LEU  74   0.539  -1.425  -3.664
  539    HB3  LEU  74           HB1      LEU  74  -0.089   0.149  -3.246
  540    HG   LEU  74           HG       LEU  74  -0.734  -2.425  -1.754
  541   HD11  LEU  74          HD11      LEU  74   0.699  -1.547   0.003
  542   HD12  LEU  74          HD12      LEU  74   1.128  -0.186  -1.030
  543   HD13  LEU  74          HD13      LEU  74   1.585  -1.825  -1.495
  544   HD21  LEU  74          HD21      LEU  74  -1.623  -0.969  -0.007
  545   HD22  LEU  74          HD22      LEU  74  -2.501  -0.739  -1.522
  546   HD23  LEU  74          HD23      LEU  74  -1.302   0.445  -1.013
  547    H    LEU  75           HN       LEU  75  -1.533   1.309  -5.002
  548    HA   LEU  75           HA       LEU  75  -3.477   2.472  -3.395
  549    HB2  LEU  75           HB2      LEU  75  -1.878   3.767  -4.904
  550    HB3  LEU  75           HB1      LEU  75  -2.891   3.243  -6.244
  551    HG   LEU  75           HG       LEU  75  -4.767   4.420  -5.415
  552   HD11  LEU  75          HD11      LEU  75  -4.296   4.362  -3.043
  553   HD12  LEU  75          HD12      LEU  75  -4.589   6.003  -3.602
  554   HD13  LEU  75          HD13      LEU  75  -2.934   5.467  -3.267
  555   HD21  LEU  75          HD21      LEU  75  -2.297   6.125  -5.668
  556   HD22  LEU  75          HD22      LEU  75  -3.959   6.688  -5.858
  557   HD23  LEU  75          HD23      LEU  75  -3.291   5.510  -6.989
  558    H    ASP  76           HN       ASP  76  -3.776   1.380  -6.752
  559    HA   ASP  76           HA       ASP  76  -6.522   1.939  -6.977
  560    HB2  ASP  76           HB2      ASP  76  -4.894   1.584  -8.883
  561    HB3  ASP  76           HB1      ASP  76  -5.050  -0.145  -8.585
  562    H    LEU  77           HN       LEU  77  -4.820  -0.983  -6.045
  563    HA   LEU  77           HA       LEU  77  -6.811  -2.890  -5.965
  564    HB2  LEU  77           HB2      LEU  77  -4.468  -3.349  -5.480
  565    HB3  LEU  77           HB1      LEU  77  -4.562  -2.420  -4.002
  566    HG   LEU  77           HG       LEU  77  -6.200  -4.093  -3.140
  567   HD11  LEU  77          HD11      LEU  77  -5.389  -5.629  -5.594
  568   HD12  LEU  77          HD12      LEU  77  -6.989  -4.974  -5.244
  569   HD13  LEU  77          HD13      LEU  77  -6.325  -6.263  -4.239
  570   HD21  LEU  77          HD21      LEU  77  -4.512  -5.797  -2.648
  571   HD22  LEU  77          HD22      LEU  77  -3.858  -4.165  -2.500
  572   HD23  LEU  77          HD23      LEU  77  -3.485  -5.139  -3.924
  573    H    ILE  78           HN       ILE  78  -5.871  -0.696  -3.341
  574    HA   ILE  78           HA       ILE  78  -8.088  -1.440  -1.671
  575    HB   ILE  78           HB       ILE  78  -6.237   0.960  -1.442
  576   HG12  ILE  78          HG12      ILE  78  -6.114  -1.772  -0.132
  577   HG13  ILE  78          HG11      ILE  78  -5.006  -1.149  -1.349
  578   HG21  ILE  78          HG21      ILE  78  -6.974   1.038   0.916
  579   HG22  ILE  78          HG22      ILE  78  -8.109  -0.275   0.591
  580   HG23  ILE  78          HG23      ILE  78  -8.316   1.282  -0.203
  581   HD11  ILE  78          HD11      ILE  78  -4.023  -1.084   0.867
  582   HD12  ILE  78          HD12      ILE  78  -5.359  -0.078   1.440
  583   HD13  ILE  78          HD13      ILE  78  -4.240   0.546   0.227
  584    H    ASN  79           HN       ASN  79  -7.229   1.320  -3.619
  585    HA   ASN  79           HA       ASN  79  -9.204   3.156  -3.052
  586    HB2  ASN  79           HB2      ASN  79  -7.073   3.269  -4.492
  587    HB3  ASN  79           HB1      ASN  79  -8.086   2.691  -5.793
  588   HD21  ASN  79          HD21      ASN  79  -6.573   5.117  -5.231
  589   HD22  ASN  79          HD22      ASN  79  -7.586   6.444  -5.540
  590    H    GLY  80           HN       GLY  80  -9.274   0.622  -5.555
  591    HA2  GLY  80           HA2      GLY  80 -11.850   1.259  -6.571
  592    HA3  GLY  80           HA1      GLY  80 -11.019  -0.273  -6.789
  593    H    ALA  81           HN       ALA  81 -10.801  -0.822  -3.955
  594    HA   ALA  81           HA       ALA  81 -13.392  -2.015  -3.538
  595    HB1  ALA  81           HB1      ALA  81 -10.907  -2.020  -1.818
  596    HB2  ALA  81           HB2      ALA  81 -11.334  -3.238  -3.023
  597    HB3  ALA  81           HB3      ALA  81 -12.331  -3.038  -1.582
  598    H    LEU  82           HN       LEU  82 -11.684   0.731  -2.529
  599    HA   LEU  82           HA       LEU  82 -13.265   1.286  -0.191
  600    HB2  LEU  82           HB2      LEU  82 -10.909   1.828  -0.287
  601    HB3  LEU  82           HB1      LEU  82 -11.169   2.847  -1.682
  602    HG   LEU  82           HG       LEU  82 -12.418   4.421  -0.308
  603   HD11  LEU  82          HD11      LEU  82 -11.757   2.546   1.950
  604   HD12  LEU  82          HD12      LEU  82 -13.366   2.910   1.326
  605   HD13  LEU  82          HD13      LEU  82 -12.431   4.167   2.141
  606   HD21  LEU  82          HD21      LEU  82 -10.026   4.683  -0.595
  607   HD22  LEU  82          HD22      LEU  82  -9.731   3.655   0.807
  608   HD23  LEU  82          HD23      LEU  82 -10.524   5.218   1.009
  609    H    ALA  83           HN       ALA  83 -13.298   2.094  -3.556
  610    HA   ALA  83           HA       ALA  83 -14.841   4.428  -3.508
  611    HB1  ALA  83           HB1      ALA  83 -14.791   2.278  -5.631
  612    HB2  ALA  83           HB2      ALA  83 -13.671   3.636  -5.509
  613    HB3  ALA  83           HB3      ALA  83 -15.379   3.929  -5.839
  614    H    GLU  84           HN       GLU  84 -15.723   1.078  -3.259
  615    HA   GLU  84           HA       GLU  84 -18.554   1.627  -3.487
  616    HB2  GLU  84           HB2      GLU  84 -18.815  -0.820  -3.126
  617    HB3  GLU  84           HB1      GLU  84 -17.809  -0.403  -4.502
  618    HG2  GLU  84           HG2      GLU  84 -15.815  -0.900  -3.252
  619    HG3  GLU  84           HG1      GLU  84 -16.771  -1.200  -1.805
  620    H    ALA  85           HN       ALA  85 -16.534   2.270  -1.112
  621    HA   ALA  85           HA       ALA  85 -18.192   1.212   1.047
  622    HB1  ALA  85           HB1      ALA  85 -15.535   2.655   1.142
  623    HB2  ALA  85           HB2      ALA  85 -15.764   0.910   1.254
  624    HB3  ALA  85           HB3      ALA  85 -16.380   1.963   2.527
  625    H    ALA  86           HN       ALA  86 -18.690   3.487  -0.916
  626    HA   ALA  86           HA       ALA  86 -18.823   5.861   0.677
  627    HB1  ALA  86           HB1      ALA  86 -20.096   5.223  -1.983
  628    HB2  ALA  86           HB2      ALA  86 -18.524   5.986  -1.750
  629    HB3  ALA  86           HB3      ALA  86 -19.995   6.818  -1.243
  630    H28  SXD  87          H28B      SXD  87   2.930 -12.417   2.174
  631   H28A  SXD  87          H28A      SXD  87   3.452 -14.042   2.590
  632    H30  SXD  87          H30A      SXD  87   0.136 -13.423   4.176
  633   H30A  SXD  87          H30C      SXD  87   1.857 -13.637   4.500
  634   H30B  SXD  87          H30B      SXD  87   1.278 -12.145   3.765
  635    H31  SXD  87          H31A      SXD  87   0.485 -13.563   0.477
  636   H31A  SXD  87          H31C      SXD  87  -0.692 -13.426   1.784
  637   H31B  SXD  87          H31B      SXD  87   0.441 -12.109   1.473
  638    H32  SXD  87          H32A      SXD  87   1.947 -15.883   2.947
  639   HO33  SXD  87          H33A      SXD  87   0.096 -16.155   1.058
  640   HN36  SXD  87          H36A      SXD  87   0.629 -15.740   4.897
  641    H37  SXD  87          H37B      SXD  87  -1.730 -17.317   4.834
  642   H37A  SXD  87          H37A      SXD  87  -2.166 -15.637   5.103
  643    H38  SXD  87          H38A      SXD  87  -0.748 -15.574   7.111
  644   H38A  SXD  87          H38B      SXD  87  -2.008 -16.787   7.224
  645   HN41  SXD  87          H41A      SXD  87   0.384 -17.875   5.174
  646    H42  SXD  87          H42B      SXD  87   1.206 -20.127   6.271
  647   H42A  SXD  87          H42A      SXD  87   2.228 -18.966   7.112
  648    H43  SXD  87          H43B      SXD  87   2.025 -19.263   4.119
  649   H43A  SXD  87          H43A      SXD  87   3.095 -18.163   4.982
  650    H1   SXD  87           H1A      SXD  87   5.498 -20.741   6.799
  651    H1A  SXD  87           H1B      SXD  87   3.990 -20.069   7.434
  652    H2   SXD  87           H2A      SXD  87   5.810 -18.548   7.652
  653    H2A  SXD  87           H2B      SXD  87   4.695 -17.874   6.449
  654    H4   SXD  87           H4B      SXD  87   8.546 -17.846   5.984
  655    H4A  SXD  87           H4A      SXD  87   7.852 -18.815   7.289
  656    H6   SXD  87           H6C      SXD  87   8.406 -21.976   6.299
  657    H6A  SXD  87           H6A      SXD  87   8.468 -20.831   7.644
  658    H6B  SXD  87           H6B      SXD  87   9.956 -21.287   6.801
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -17.895  13.189  -3.102
    2    H2   MET   1           HT2      MET   1 -19.542  13.410  -3.403
    3    H3   MET   1           HT3      MET   1 -18.589  12.444  -4.410
    4    HA   MET   1           HA       MET   1 -19.018  11.801  -1.571
    5    HB2  MET   1           HB2      MET   1 -20.325  10.635  -4.038
    6    HB3  MET   1           HB1      MET   1 -20.429   9.933  -2.430
    7    HG2  MET   1           HG2      MET   1 -21.560  11.948  -1.634
    8    HG3  MET   1           HG1      MET   1 -21.472  12.627  -3.256
    9    HE1  MET   1           HE1      MET   1 -23.026   9.825  -0.975
   10    HE2  MET   1           HE2      MET   1 -22.180   8.884  -2.203
   11    HE3  MET   1           HE3      MET   1 -23.943   8.874  -2.144
   12    H    ALA   2           HN       ALA   2 -16.456  11.946  -2.804
   13    HA   ALA   2           HA       ALA   2 -15.895   9.112  -3.255
   14    HB1  ALA   2           HB1      ALA   2 -13.954   9.821  -4.552
   15    HB2  ALA   2           HB2      ALA   2 -14.356  11.511  -4.251
   16    HB3  ALA   2           HB3      ALA   2 -15.437  10.506  -5.220
   17    H    THR   3           HN       THR   3 -15.127   8.262  -1.458
   18    HA   THR   3           HA       THR   3 -13.260   9.811   0.208
   19    HB   THR   3           HB       THR   3 -14.703   7.245   0.789
   20    HG1  THR   3           HG1      THR   3 -16.316   8.656   0.725
   21   HG21  THR   3          HG21      THR   3 -13.316   9.221   2.612
   22   HG22  THR   3          HG22      THR   3 -12.720   7.619   2.170
   23   HG23  THR   3          HG23      THR   3 -14.177   7.778   3.151
   24    H    LEU   4           HN       LEU   4 -11.228   9.358  -0.542
   25    HA   LEU   4           HA       LEU   4 -10.693   6.596  -1.332
   26    HB2  LEU   4           HB2      LEU   4  -9.781   9.077  -2.773
   27    HB3  LEU   4           HB1      LEU   4  -9.278   7.443  -3.150
   28    HG   LEU   4           HG       LEU   4 -12.106   8.482  -3.387
   29   HD11  LEU   4          HD11      LEU   4 -11.717   8.363  -5.792
   30   HD12  LEU   4          HD12      LEU   4 -10.038   7.912  -5.499
   31   HD13  LEU   4          HD13      LEU   4 -10.622   9.505  -5.015
   32   HD21  LEU   4          HD21      LEU   4 -10.879   5.862  -4.269
   33   HD22  LEU   4          HD22      LEU   4 -12.530   6.388  -4.593
   34   HD23  LEU   4          HD23      LEU   4 -12.015   6.074  -2.934
   35    H    LEU   5           HN       LEU   5  -8.391   6.184  -1.547
   36    HA   LEU   5           HA       LEU   5  -6.909   7.028   0.787
   37    HB2  LEU   5           HB2      LEU   5  -7.076   4.654   0.058
   38    HB3  LEU   5           HB1      LEU   5  -6.348   5.082  -1.470
   39    HG   LEU   5           HG       LEU   5  -4.281   5.727  -0.192
   40   HD11  LEU   5          HD11      LEU   5  -5.731   4.351   2.046
   41   HD12  LEU   5          HD12      LEU   5  -5.301   6.060   1.972
   42   HD13  LEU   5          HD13      LEU   5  -4.037   4.834   2.053
   43   HD21  LEU   5          HD21      LEU   5  -3.548   3.417   0.122
   44   HD22  LEU   5          HD22      LEU   5  -4.459   3.611  -1.376
   45   HD23  LEU   5          HD23      LEU   5  -5.223   2.874   0.031
   46    H    THR   6           HN       THR   6  -5.401   8.633   0.581
   47    HA   THR   6           HA       THR   6  -4.967   9.627  -2.107
   48    HB   THR   6           HB       THR   6  -3.873  11.574  -0.979
   49    HG1  THR   6           HG1      THR   6  -4.697  10.159   1.369
   50   HG21  THR   6          HG21      THR   6  -6.689  10.934  -0.080
   51   HG22  THR   6          HG22      THR   6  -6.235  11.670  -1.619
   52   HG23  THR   6          HG23      THR   6  -5.964  12.541  -0.108
   53    H    THR   7           HN       THR   7  -2.615  10.639  -2.382
   54    HA   THR   7           HA       THR   7  -0.834   8.456  -2.415
   55    HB   THR   7           HB       THR   7   0.823  10.298  -3.081
   56    HG1  THR   7           HG1      THR   7   0.115  12.253  -2.543
   57   HG21  THR   7          HG21      THR   7  -1.762  10.060  -4.634
   58   HG22  THR   7          HG22      THR   7  -0.390   8.956  -4.737
   59   HG23  THR   7          HG23      THR   7  -0.225  10.623  -5.288
   60    H    ASP   8           HN       ASP   8  -1.419  11.183  -0.397
   61    HA   ASP   8           HA       ASP   8   0.836  11.214   1.226
   62    HB2  ASP   8           HB2      ASP   8  -2.010  11.899   1.989
   63    HB3  ASP   8           HB1      ASP   8  -0.565  12.386   2.864
   64    H    ASP   9           HN       ASP   9  -2.264   9.592   1.688
   65    HA   ASP   9           HA       ASP   9  -1.720   8.410   4.197
   66    HB2  ASP   9           HB2      ASP   9  -3.488   7.255   2.046
   67    HB3  ASP   9           HB1      ASP   9  -3.496   6.808   3.738
   68    H    LEU  10           HN       LEU  10  -1.390   7.146   0.941
   69    HA   LEU  10           HA       LEU  10  -0.512   4.580   1.713
   70    HB2  LEU  10           HB2      LEU  10  -1.502   5.071  -0.474
   71    HB3  LEU  10           HB1      LEU  10  -0.118   6.058  -0.890
   72    HG   LEU  10           HG       LEU  10   1.320   4.070  -0.858
   73   HD11  LEU  10          HD11      LEU  10  -1.233   2.572  -0.300
   74   HD12  LEU  10          HD12      LEU  10   0.114   2.777   0.819
   75   HD13  LEU  10          HD13      LEU  10   0.333   1.848  -0.663
   76   HD21  LEU  10          HD21      LEU  10   0.252   4.741  -2.938
   77   HD22  LEU  10          HD22      LEU  10  -1.158   3.752  -2.546
   78   HD23  LEU  10          HD23      LEU  10   0.406   2.988  -2.846
   79    H    ARG  11           HN       ARG  11   1.191   7.532   0.819
   80    HA   ARG  11           HA       ARG  11   3.795   6.497   0.866
   81    HB2  ARG  11           HB2      ARG  11   3.066   8.663  -0.112
   82    HB3  ARG  11           HB1      ARG  11   2.855   9.288   1.509
   83    HG2  ARG  11           HG2      ARG  11   5.252   9.051   1.910
   84    HG3  ARG  11           HG1      ARG  11   5.459   8.415   0.270
   85    HD2  ARG  11           HD2      ARG  11   5.965  10.819   0.373
   86    HD3  ARG  11           HD1      ARG  11   4.572  10.489  -0.664
   87    HE   ARG  11           HE       ARG  11   4.280  11.287   2.135
   88   HH11  ARG  11          HH11      ARG  11   3.360  11.752  -1.309
   89   HH12  ARG  11          HH12      ARG  11   2.239  12.973  -0.967
   90   HH21  ARG  11          HH21      ARG  11   2.675  12.962   2.555
   91   HH22  ARG  11          HH22      ARG  11   1.798  13.649   1.271
   92    H    ARG  12           HN       ARG  12   1.784   8.009   3.358
   93    HA   ARG  12           HA       ARG  12   3.608   7.979   5.486
   94    HB2  ARG  12           HB2      ARG  12   0.605   7.662   5.542
   95    HB3  ARG  12           HB1      ARG  12   1.592   7.874   6.979
   96    HG2  ARG  12           HG2      ARG  12   2.280  10.060   6.228
   97    HG3  ARG  12           HG1      ARG  12   1.406   9.840   4.710
   98    HD2  ARG  12           HD2      ARG  12   0.142  11.222   6.288
   99    HD3  ARG  12           HD1      ARG  12  -0.702   9.717   5.918
  100    HE   ARG  12           HE       ARG  12   0.972   9.639   8.255
  101   HH11  ARG  12          HH11      ARG  12  -2.278  10.489   7.080
  102   HH12  ARG  12          HH12      ARG  12  -3.053  10.169   8.563
  103   HH21  ARG  12          HH21      ARG  12  -0.134   9.142  10.309
  104   HH22  ARG  12          HH22      ARG  12  -1.800   9.375  10.429
  105    H    ALA  13           HN       ALA  13   1.328   5.498   4.427
  106    HA   ALA  13           HA       ALA  13   1.818   3.604   6.410
  107    HB1  ALA  13           HB1      ALA  13   0.934   1.941   4.836
  108    HB2  ALA  13           HB2      ALA  13   1.128   3.085   3.508
  109    HB3  ALA  13           HB3      ALA  13  -0.031   3.417   4.792
  110    H    LEU  14           HN       LEU  14   3.391   3.909   3.197
  111    HA   LEU  14           HA       LEU  14   5.302   1.981   3.684
  112    HB2  LEU  14           HB2      LEU  14   5.071   4.238   1.751
  113    HB3  LEU  14           HB1      LEU  14   6.573   3.353   1.868
  114    HG   LEU  14           HG       LEU  14   5.306   1.274   1.389
  115   HD11  LEU  14          HD11      LEU  14   3.139   1.364   0.320
  116   HD12  LEU  14          HD12      LEU  14   3.014   3.078   0.720
  117   HD13  LEU  14          HD13      LEU  14   3.084   1.872   2.006
  118   HD21  LEU  14          HD21      LEU  14   6.582   2.336  -0.342
  119   HD22  LEU  14          HD22      LEU  14   5.255   3.437  -0.691
  120   HD23  LEU  14          HD23      LEU  14   5.085   1.721  -1.044
  121    H    VAL  15           HN       VAL  15   5.583   5.525   4.146
  122    HA   VAL  15           HA       VAL  15   8.249   5.577   4.946
  123    HB   VAL  15           HB       VAL  15   5.955   7.364   5.862
  124   HG11  VAL  15          HG11      VAL  15   8.926   7.780   6.276
  125   HG12  VAL  15          HG12      VAL  15   7.752   7.431   7.545
  126   HG13  VAL  15          HG13      VAL  15   7.657   8.948   6.652
  127   HG21  VAL  15          HG21      VAL  15   8.199   7.787   3.900
  128   HG22  VAL  15          HG22      VAL  15   6.957   8.969   4.319
  129   HG23  VAL  15          HG23      VAL  15   6.510   7.480   3.481
  130    H    GLU  16           HN       GLU  16   5.390   5.127   7.004
  131    HA   GLU  16           HA       GLU  16   6.928   4.819   9.361
  132    HB2  GLU  16           HB2      GLU  16   4.029   4.227   8.795
  133    HB3  GLU  16           HB1      GLU  16   4.763   4.136  10.392
  134    HG2  GLU  16           HG2      GLU  16   5.295   6.488  10.335
  135    HG3  GLU  16           HG1      GLU  16   4.711   6.615   8.680
  136    H    SER  17           HN       SER  17   6.223   2.576   6.848
  137    HA   SER  17           HA       SER  17   6.851   0.365   8.649
  138    HB2  SER  17           HB2      SER  17   6.374  -1.088   6.629
  139    HB3  SER  17           HB1      SER  17   4.998  -0.147   7.196
  140    HG   SER  17           HG       SER  17   5.076   1.073   5.487
  141    H    ALA  18           HN       ALA  18   8.308   2.463   6.451
  142    HA   ALA  18           HA       ALA  18  10.597   0.791   5.894
  143    HB1  ALA  18           HB1      ALA  18  11.475   2.777   4.766
  144    HB2  ALA  18           HB2      ALA  18  10.128   3.728   5.389
  145    HB3  ALA  18           HB3      ALA  18   9.830   2.419   4.242
  146    H    GLY  19           HN       GLY  19   9.605   3.229   8.128
  147    HA2  GLY  19           HA2      GLY  19  10.608   3.044  10.334
  148    HA3  GLY  19           HA1      GLY  19  12.160   2.873   9.522
  149    H    GLU  20           HN       GLU  20  13.320   4.608   9.238
  150    HA   GLU  20           HA       GLU  20  12.226   7.127  10.156
  151    HB2  GLU  20           HB2      GLU  20  15.058   6.301   9.524
  152    HB3  GLU  20           HB1      GLU  20  14.575   7.822  10.266
  153    HG2  GLU  20           HG2      GLU  20  13.775   6.689  12.222
  154    HG3  GLU  20           HG1      GLU  20  14.035   5.116  11.467
  155    H    THR  21           HN       THR  21  11.178   8.159   8.682
  156    HA   THR  21           HA       THR  21  10.512   9.084   6.763
  157    HB   THR  21           HB       THR  21  12.296  10.672   5.762
  158    HG1  THR  21           HG1      THR  21  14.112   9.525   6.653
  159   HG21  THR  21          HG21      THR  21  11.484  10.863   8.666
  160   HG22  THR  21          HG22      THR  21  10.531  11.390   7.279
  161   HG23  THR  21          HG23      THR  21  12.044  12.208   7.672
  162    H    ASP  22           HN       ASP  22  10.988   6.512   6.161
  163    HA   ASP  22           HA       ASP  22  11.155   5.087   4.459
  164    HB2  ASP  22           HB2      ASP  22   9.725   6.459   3.156
  165    HB3  ASP  22           HB1      ASP  22  10.988   7.646   2.868
  166    H    GLY  23           HN       GLY  23  13.118   7.277   2.553
  167    HA2  GLY  23           HA2      GLY  23  15.505   7.436   2.739
  168    HA3  GLY  23           HA1      GLY  23  15.496   5.823   3.445
  169    H    THR  24           HN       THR  24  13.399   5.852   0.770
  170    HA   THR  24           HA       THR  24  15.602   5.126  -0.979
  171    HB   THR  24           HB       THR  24  14.705   3.013  -0.089
  172    HG1  THR  24           HG1      THR  24  14.152   3.599  -2.785
  173   HG21  THR  24          HG21      THR  24  12.082   3.853  -1.340
  174   HG22  THR  24          HG22      THR  24  12.400   3.706   0.387
  175   HG23  THR  24          HG23      THR  24  12.423   2.271  -0.639
  176    H    ASP  25           HN       ASP  25  13.967   7.461  -0.710
  177    HA   ASP  25           HA       ASP  25  13.049   9.079  -1.947
  178    HB2  ASP  25           HB2      ASP  25  14.899   8.525  -3.566
  179    HB3  ASP  25           HB1      ASP  25  13.757   7.453  -4.380
  180    H    LEU  26           HN       LEU  26  11.109   8.557  -1.039
  181    HA   LEU  26           HA       LEU  26   9.138   7.246  -2.817
  182    HB2  LEU  26           HB2      LEU  26   9.823   6.151  -0.693
  183    HB3  LEU  26           HB1      LEU  26   9.210   7.536   0.164
  184    HG   LEU  26           HG       LEU  26   6.954   6.967  -0.842
  185   HD11  LEU  26          HD11      LEU  26   8.417   4.388  -1.405
  186   HD12  LEU  26          HD12      LEU  26   7.766   5.500  -2.610
  187   HD13  LEU  26          HD13      LEU  26   6.676   4.638  -1.529
  188   HD21  LEU  26          HD21      LEU  26   8.333   5.086   1.048
  189   HD22  LEU  26          HD22      LEU  26   6.581   5.275   0.895
  190   HD23  LEU  26          HD23      LEU  26   7.581   6.617   1.466
  191    H    SER  27           HN       SER  27  10.164  10.190  -1.708
  192    HA   SER  27           HA       SER  27   7.548  11.163  -0.913
  193    HB2  SER  27           HB2      SER  27  10.241  12.321  -0.598
  194    HB3  SER  27           HB1      SER  27   8.769  12.998   0.106
  195    HG   SER  27           HG       SER  27   8.605  11.264   1.457
  196    H    GLY  28           HN       GLY  28   8.675  10.818  -3.660
  197    HA2  GLY  28           HA2      GLY  28   7.782  13.450  -4.642
  198    HA3  GLY  28           HA1      GLY  28   9.318  12.823  -5.227
  199    H    ASP  29           HN       ASP  29   5.998  11.757  -4.780
  200    HA   ASP  29           HA       ASP  29   4.556  10.504  -5.970
  201    HB2  ASP  29           HB2      ASP  29   4.832  12.309  -7.670
  202    HB3  ASP  29           HB1      ASP  29   6.130  11.379  -8.415
  203    H    PHE  30           HN       PHE  30   4.477   8.416  -5.775
  204    HA   PHE  30           HA       PHE  30   6.927   6.889  -6.434
  205    HB2  PHE  30           HB2      PHE  30   6.663   5.692  -4.324
  206    HB3  PHE  30           HB1      PHE  30   6.843   7.423  -4.069
  207    HD1  PHE  30           HD2      PHE  30   4.711   8.779  -3.601
  208    HD2  PHE  30           HD1      PHE  30   4.843   4.531  -3.453
  209    HE1  PHE  30           HE2      PHE  30   2.649   8.763  -2.278
  210    HE2  PHE  30           HE1      PHE  30   2.781   4.513  -2.127
  211    HZ   PHE  30           HZ       PHE  30   1.682   6.628  -1.537
  212    H    LEU  31           HN       LEU  31   4.179   6.978  -7.814
  213    HA   LEU  31           HA       LEU  31   3.086   4.412  -7.069
  214    HB2  LEU  31           HB2      LEU  31   2.166   6.485  -9.017
  215    HB3  LEU  31           HB1      LEU  31   1.476   4.879  -9.025
  216    HG   LEU  31           HG       LEU  31   0.764   5.225  -6.664
  217   HD11  LEU  31          HD11      LEU  31   2.354   6.928  -5.982
  218   HD12  LEU  31          HD12      LEU  31   0.696   7.478  -5.743
  219   HD13  LEU  31          HD13      LEU  31   1.634   8.071  -7.115
  220   HD21  LEU  31          HD21      LEU  31  -0.239   7.218  -8.678
  221   HD22  LEU  31          HD22      LEU  31  -1.096   6.695  -7.226
  222   HD23  LEU  31          HD23      LEU  31  -0.757   5.541  -8.515
  223    H    ASP  32           HN       ASP  32   5.035   5.660  -9.630
  224    HA   ASP  32           HA       ASP  32   4.740   3.274 -11.238
  225    HB2  ASP  32           HB2      ASP  32   6.331   4.233 -12.807
  226    HB3  ASP  32           HB1      ASP  32   5.148   5.448 -12.365
  227    H    LEU  33           HN       LEU  33   6.316   3.848  -8.503
  228    HA   LEU  33           HA       LEU  33   8.759   2.432  -8.931
  229    HB2  LEU  33           HB2      LEU  33   7.162   2.928  -6.452
  230    HB3  LEU  33           HB1      LEU  33   8.756   2.198  -6.458
  231    HG   LEU  33           HG       LEU  33   8.084   5.030  -7.261
  232   HD11  LEU  33          HD11      LEU  33   8.051   4.660  -4.857
  233   HD12  LEU  33          HD12      LEU  33   9.446   5.633  -5.317
  234   HD13  LEU  33          HD13      LEU  33   9.650   3.922  -4.935
  235   HD21  LEU  33          HD21      LEU  33  10.750   3.615  -7.211
  236   HD22  LEU  33          HD22      LEU  33  10.499   5.336  -7.515
  237   HD23  LEU  33          HD23      LEU  33   9.880   4.139  -8.653
  238    H    ARG  34           HN       ARG  34   9.157   0.397  -7.859
  239    HA   ARG  34           HA       ARG  34   6.810  -1.372  -7.837
  240    HB2  ARG  34           HB2      ARG  34   9.668  -2.065  -8.585
  241    HB3  ARG  34           HB1      ARG  34   8.319  -3.197  -8.543
  242    HG2  ARG  34           HG2      ARG  34   7.203  -1.926 -10.308
  243    HG3  ARG  34           HG1      ARG  34   8.561  -0.802 -10.331
  244    HD2  ARG  34           HD2      ARG  34   8.710  -3.746 -10.966
  245    HD3  ARG  34           HD1      ARG  34   8.642  -2.455 -12.157
  246    HE   ARG  34           HE       ARG  34  10.859  -2.815 -10.239
  247   HH11  ARG  34          HH11      ARG  34   9.672  -1.851 -13.427
  248   HH12  ARG  34          HH12      ARG  34  11.203  -1.752 -14.152
  249   HH21  ARG  34          HH21      ARG  34  13.040  -2.593 -11.228
  250   HH22  ARG  34          HH22      ARG  34  13.126  -2.146 -12.873
  251    H    PHE  35           HN       PHE  35   6.546  -2.609  -6.067
  252    HA   PHE  35           HA       PHE  35   7.729  -1.766  -3.684
  253    HB2  PHE  35           HB2      PHE  35   6.073  -4.177  -4.320
  254    HB3  PHE  35           HB1      PHE  35   6.749  -3.933  -2.717
  255    HD1  PHE  35           HD1      PHE  35   6.341  -1.412  -1.837
  256    HD2  PHE  35           HD2      PHE  35   3.907  -3.533  -4.597
  257    HE1  PHE  35           HE1      PHE  35   4.411  -0.042  -1.180
  258    HE2  PHE  35           HE2      PHE  35   1.979  -2.159  -3.954
  259    HZ   PHE  35           HZ       PHE  35   2.228  -0.410  -2.241
  260    H    GLU  36           HN       GLU  36   8.449  -4.590  -5.641
  261    HA   GLU  36           HA       GLU  36  10.283  -5.607  -3.760
  262    HB2  GLU  36           HB2      GLU  36  10.018  -6.227  -6.701
  263    HB3  GLU  36           HB1      GLU  36  11.021  -7.131  -5.569
  264    HG2  GLU  36           HG2      GLU  36   8.956  -7.577  -4.225
  265    HG3  GLU  36           HG1      GLU  36   8.026  -6.865  -5.542
  266    H    ASP  37           HN       ASP  37  10.536  -3.179  -6.111
  267    HA   ASP  37           HA       ASP  37  13.404  -3.144  -6.319
  268    HB2  ASP  37           HB2      ASP  37  12.122  -2.272  -8.160
  269    HB3  ASP  37           HB1      ASP  37  11.260  -1.163  -7.103
  270    H    ILE  38           HN       ILE  38  10.939  -1.410  -4.491
  271    HA   ILE  38           HA       ILE  38  12.973   0.178  -3.196
  272    HB   ILE  38           HB       ILE  38  11.126   1.308  -1.978
  273   HG12  ILE  38          HG12      ILE  38   9.335  -0.473  -3.657
  274   HG13  ILE  38          HG11      ILE  38   9.542  -0.593  -1.915
  275   HG21  ILE  38          HG21      ILE  38  11.931   2.198  -4.078
  276   HG22  ILE  38          HG22      ILE  38  10.189   2.446  -3.948
  277   HG23  ILE  38          HG23      ILE  38  10.825   1.155  -4.971
  278   HD11  ILE  38          HD11      ILE  38   7.459   0.522  -2.498
  279   HD12  ILE  38          HD12      ILE  38   8.354   1.744  -3.401
  280   HD13  ILE  38          HD13      ILE  38   8.546   1.623  -1.652
  281    H    GLY  39           HN       GLY  39  12.374  -2.810  -2.746
  282    HA2  GLY  39           HA2      GLY  39  13.162  -4.158  -1.010
  283    HA3  GLY  39           HA1      GLY  39  13.336  -2.722  -0.021
  284    H    TYR  40           HN       TYR  40  10.400  -3.867  -1.613
  285    HA   TYR  40           HA       TYR  40   9.288  -4.447   1.028
  286    HB2  TYR  40           HB2      TYR  40   8.078  -3.089  -1.337
  287    HB3  TYR  40           HB1      TYR  40   7.051  -4.038  -0.272
  288    HD1  TYR  40           HD1      TYR  40   9.645  -1.375  -0.104
  289    HD2  TYR  40           HD2      TYR  40   6.066  -2.999   1.492
  290    HE1  TYR  40           HE1      TYR  40   9.475   0.517   1.427
  291    HE2  TYR  40           HE2      TYR  40   5.878  -1.121   3.030
  292    HH   TYR  40           HH       TYR  40   7.160   0.613   4.005
  293    H    ASP  41           HN       ASP  41   8.903  -6.423   1.351
  294    HA   ASP  41           HA       ASP  41   8.362  -8.178  -0.920
  295    HB2  ASP  41           HB2      ASP  41   8.813 -10.043   0.487
  296    HB3  ASP  41           HB1      ASP  41  10.068  -8.874   0.846
  297    H    SER  42           HN       SER  42   6.725  -9.973  -0.105
  298    HA   SER  42           HA       SER  42   4.300  -8.593  -0.112
  299    HB2  SER  42           HB2      SER  42   3.404 -11.049   0.125
  300    HB3  SER  42           HB1      SER  42   4.239 -10.512  -1.353
  301    H    LEU  43           HN       LEU  43   6.091  -9.879   2.633
  302    HA   LEU  43           HA       LEU  43   3.816 -10.002   4.369
  303    HB2  LEU  43           HB2      LEU  43   5.890 -11.199   4.907
  304    HB3  LEU  43           HB1      LEU  43   6.753  -9.677   5.021
  305    HG   LEU  43           HG       LEU  43   5.211  -9.058   6.904
  306   HD11  LEU  43          HD11      LEU  43   4.049 -10.851   8.066
  307   HD12  LEU  43          HD12      LEU  43   4.449 -11.953   6.749
  308   HD13  LEU  43          HD13      LEU  43   3.403 -10.566   6.450
  309   HD21  LEU  43          HD21      LEU  43   6.957 -11.486   7.295
  310   HD22  LEU  43          HD22      LEU  43   6.392 -10.400   8.568
  311   HD23  LEU  43          HD23      LEU  43   7.480  -9.800   7.319
  312    H    ALA  44           HN       ALA  44   6.223  -7.614   3.530
  313    HA   ALA  44           HA       ALA  44   5.484  -5.643   5.411
  314    HB1  ALA  44           HB1      ALA  44   6.725  -4.081   3.979
  315    HB2  ALA  44           HB2      ALA  44   6.757  -5.286   2.691
  316    HB3  ALA  44           HB3      ALA  44   7.620  -5.586   4.198
  317    H    LEU  45           HN       LEU  45   4.255  -6.551   2.306
  318    HA   LEU  45           HA       LEU  45   2.639  -4.249   1.958
  319    HB2  LEU  45           HB2      LEU  45   2.435  -6.948   0.645
  320    HB3  LEU  45           HB1      LEU  45   1.558  -5.511   0.142
  321    HG   LEU  45           HG       LEU  45   4.535  -5.936   0.058
  322   HD11  LEU  45          HD11      LEU  45   4.265  -5.625  -2.321
  323   HD12  LEU  45          HD12      LEU  45   2.521  -5.464  -2.107
  324   HD13  LEU  45          HD13      LEU  45   3.317  -7.007  -1.752
  325   HD21  LEU  45          HD21      LEU  45   4.661  -3.698  -0.902
  326   HD22  LEU  45          HD22      LEU  45   4.056  -3.670   0.753
  327   HD23  LEU  45          HD23      LEU  45   2.940  -3.476  -0.600
  328    H    MET  46           HN       MET  46   2.182  -7.282   3.560
  329    HA   MET  46           HA       MET  46  -0.663  -7.148   3.848
  330    HB2  MET  46           HB2      MET  46   1.317  -8.434   5.732
  331    HB3  MET  46           HB1      MET  46  -0.405  -8.783   5.613
  332    HG2  MET  46           HG2      MET  46   1.673  -9.256   3.554
  333    HG3  MET  46           HG1      MET  46   0.928 -10.464   4.604
  334    HE1  MET  46           HE1      MET  46   0.447 -11.786   2.213
  335    HE2  MET  46           HE2      MET  46   1.070 -10.414   1.296
  336    HE3  MET  46           HE3      MET  46  -0.516 -11.087   0.911
  337    H    GLU  47           HN       GLU  47   2.072  -6.153   5.689
  338    HA   GLU  47           HA       GLU  47   0.835  -5.102   7.963
  339    HB2  GLU  47           HB2      GLU  47   3.172  -5.709   7.676
  340    HB3  GLU  47           HB1      GLU  47   3.393  -4.409   6.543
  341    HG2  GLU  47           HG2      GLU  47   4.311  -3.781   8.710
  342    HG3  GLU  47           HG1      GLU  47   2.985  -2.720   8.243
  343    H    THR  48           HN       THR  48   1.818  -3.657   4.902
  344    HA   THR  48           HA       THR  48   1.008  -1.008   5.349
  345    HB   THR  48           HB       THR  48   1.132  -2.587   2.756
  346    HG1  THR  48           HG1      THR  48   3.157  -2.519   3.939
  347   HG21  THR  48          HG21      THR  48  -0.099  -0.469   2.502
  348   HG22  THR  48          HG22      THR  48   1.454  -0.396   1.672
  349   HG23  THR  48          HG23      THR  48   1.250   0.405   3.230
  350    H    ALA  49           HN       ALA  49  -0.690  -3.732   3.713
  351    HA   ALA  49           HA       ALA  49  -3.035  -2.396   3.105
  352    HB1  ALA  49           HB1      ALA  49  -3.992  -4.598   2.750
  353    HB2  ALA  49           HB2      ALA  49  -2.647  -5.342   3.614
  354    HB3  ALA  49           HB3      ALA  49  -2.363  -4.518   2.080
  355    H    ALA  50           HN       ALA  50  -2.223  -4.408   5.922
  356    HA   ALA  50           HA       ALA  50  -4.650  -4.652   7.179
  357    HB1  ALA  50           HB1      ALA  50  -2.574  -5.720   7.931
  358    HB2  ALA  50           HB2      ALA  50  -3.428  -4.922   9.254
  359    HB3  ALA  50           HB3      ALA  50  -2.010  -4.160   8.532
  360    H    ARG  51           HN       ARG  51  -2.395  -2.016   7.467
  361    HA   ARG  51           HA       ARG  51  -3.706  -0.469   9.390
  362    HB2  ARG  51           HB2      ARG  51  -1.415  -0.074   8.795
  363    HB3  ARG  51           HB1      ARG  51  -1.861   0.273   7.131
  364    HG2  ARG  51           HG2      ARG  51  -3.063   2.264   7.889
  365    HG3  ARG  51           HG1      ARG  51  -2.551   1.922   9.544
  366    HD2  ARG  51           HD2      ARG  51  -0.243   2.116   8.898
  367    HD3  ARG  51           HD1      ARG  51  -0.710   2.382   7.216
  368    HE   ARG  51           HE       ARG  51  -2.055   4.302   8.558
  369   HH11  ARG  51          HH11      ARG  51   1.369   3.419   8.477
  370   HH12  ARG  51          HH12      ARG  51   1.878   5.058   8.719
  371   HH21  ARG  51          HH21      ARG  51  -1.241   6.530   8.893
  372   HH22  ARG  51          HH22      ARG  51   0.481   6.707   8.977
  373    H    LEU  52           HN       LEU  52  -3.750  -0.249   5.864
  374    HA   LEU  52           HA       LEU  52  -5.588   1.926   5.871
  375    HB2  LEU  52           HB2      LEU  52  -4.652   0.206   3.582
  376    HB3  LEU  52           HB1      LEU  52  -5.502   1.736   3.435
  377    HG   LEU  52           HG       LEU  52  -2.749   1.375   4.633
  378   HD11  LEU  52          HD11      LEU  52  -3.592   2.607   2.026
  379   HD12  LEU  52          HD12      LEU  52  -2.736   1.079   2.227
  380   HD13  LEU  52          HD13      LEU  52  -1.958   2.598   2.686
  381   HD21  LEU  52          HD21      LEU  52  -2.670   3.828   4.670
  382   HD22  LEU  52          HD22      LEU  52  -3.958   3.203   5.701
  383   HD23  LEU  52          HD23      LEU  52  -4.346   3.887   4.123
  384    H    GLU  53           HN       GLU  53  -5.855  -1.532   5.409
  385    HA   GLU  53           HA       GLU  53  -8.480  -1.761   4.602
  386    HB2  GLU  53           HB2      GLU  53  -6.803  -3.497   6.386
  387    HB3  GLU  53           HB1      GLU  53  -8.444  -3.947   5.925
  388    HG2  GLU  53           HG2      GLU  53  -7.663  -3.908   3.549
  389    HG3  GLU  53           HG1      GLU  53  -6.040  -3.593   4.161
  390    H    SER  54           HN       SER  54  -7.163  -1.758   7.875
  391    HA   SER  54           HA       SER  54  -9.635  -1.876   9.178
  392    HB2  SER  54           HB2      SER  54  -6.997  -0.835  10.214
  393    HB3  SER  54           HB1      SER  54  -8.361  -1.379  11.193
  394    HG   SER  54           HG       SER  54  -6.539  -2.850   9.662
  395    H    ARG  55           HN       ARG  55  -7.637   0.844   8.178
  396    HA   ARG  55           HA       ARG  55  -9.120   2.781   9.614
  397    HB2  ARG  55           HB2      ARG  55  -6.815   3.172   8.907
  398    HB3  ARG  55           HB1      ARG  55  -7.318   3.154   7.222
  399    HG2  ARG  55           HG2      ARG  55  -8.688   5.131   7.601
  400    HG3  ARG  55           HG1      ARG  55  -8.203   5.141   9.297
  401    HD2  ARG  55           HD2      ARG  55  -5.893   5.492   8.655
  402    HD3  ARG  55           HD1      ARG  55  -6.341   5.406   6.949
  403    HE   ARG  55           HE       ARG  55  -7.673   7.389   8.576
  404   HH11  ARG  55          HH11      ARG  55  -4.976   6.761   6.412
  405   HH12  ARG  55          HH12      ARG  55  -4.944   8.334   5.721
  406   HH21  ARG  55          HH21      ARG  55  -7.599   9.582   7.703
  407   HH22  ARG  55          HH22      ARG  55  -6.456   9.979   6.510
  408    H    TYR  56           HN       TYR  56  -9.329   1.677   6.221
  409    HA   TYR  56           HA       TYR  56 -11.509   3.562   5.873
  410    HB2  TYR  56           HB2      TYR  56  -9.906   1.998   3.871
  411    HB3  TYR  56           HB1      TYR  56 -11.334   2.943   3.455
  412    HD1  TYR  56           HD2      TYR  56 -11.299   5.426   3.772
  413    HD2  TYR  56           HD1      TYR  56  -7.822   3.034   4.280
  414    HE1  TYR  56           HE2      TYR  56  -9.901   7.435   3.589
  415    HE2  TYR  56           HE1      TYR  56  -6.409   5.031   4.099
  416    HH   TYR  56           HH       TYR  56  -7.562   8.177   4.308
  417    H    GLY  57           HN       GLY  57 -11.232   0.428   6.788
  418    HA2  GLY  57           HA2      GLY  57 -12.919  -1.041   7.288
  419    HA3  GLY  57           HA1      GLY  57 -14.061   0.070   6.544
  420    H    VAL  58           HN       VAL  58 -11.256  -1.732   5.319
  421    HA   VAL  58           HA       VAL  58 -13.084  -3.071   3.481
  422    HB   VAL  58           HB       VAL  58 -11.515  -2.969   1.596
  423   HG11  VAL  58          HG11      VAL  58 -13.145  -1.167   1.768
  424   HG12  VAL  58          HG12      VAL  58 -11.626  -0.601   1.048
  425   HG13  VAL  58          HG13      VAL  58 -11.984  -0.241   2.733
  426   HG21  VAL  58          HG21      VAL  58  -9.414  -2.860   2.863
  427   HG22  VAL  58          HG22      VAL  58  -9.809  -1.176   3.297
  428   HG23  VAL  58          HG23      VAL  58  -9.518  -1.608   1.620
  429    H    SER  59           HN       SER  59 -11.802  -5.007   2.346
  430    HA   SER  59           HA       SER  59  -9.936  -6.186   4.220
  431    HB2  SER  59           HB2      SER  59 -12.492  -7.524   3.278
  432    HB3  SER  59           HB1      SER  59 -11.235  -8.279   4.261
  433    HG   SER  59           HG       SER  59 -12.003  -5.937   5.329
  434    H    ILE  60           HN       ILE  60  -8.265  -6.778   3.062
  435    HA   ILE  60           HA       ILE  60  -8.623  -7.446   0.206
  436    HB   ILE  60           HB       ILE  60  -6.170  -6.372   1.628
  437   HG12  ILE  60          HG12      ILE  60  -8.010  -5.058  -0.382
  438   HG13  ILE  60          HG11      ILE  60  -7.993  -4.721   1.343
  439   HG21  ILE  60          HG21      ILE  60  -5.180  -6.180  -0.612
  440   HG22  ILE  60          HG22      ILE  60  -6.601  -6.959  -1.304
  441   HG23  ILE  60          HG23      ILE  60  -5.552  -7.855  -0.208
  442   HD11  ILE  60          HD11      ILE  60  -5.737  -4.210  -0.581
  443   HD12  ILE  60          HD12      ILE  60  -5.715  -3.865   1.150
  444   HD13  ILE  60          HD13      ILE  60  -6.829  -3.000   0.091
  445    HA   PRO  61           HA       PRO  61  -7.414 -11.700   1.284
  446    HB2  PRO  61           HB2      PRO  61  -6.941 -11.603  -1.659
  447    HB3  PRO  61           HB1      PRO  61  -7.790 -12.838  -0.735
  448    HG2  PRO  61           HG2      PRO  61  -9.195 -11.138  -2.133
  449    HG3  PRO  61           HG1      PRO  61  -9.690 -11.457  -0.458
  450    HD2  PRO  61           HD2      PRO  61  -8.184  -9.114  -1.569
  451    HD3  PRO  61           HD1      PRO  61  -9.529  -9.138  -0.405
  452    H    ASP  62           HN       ASP  62  -5.482 -12.779   1.423
  453    HA   ASP  62           HA       ASP  62  -3.120 -11.237   1.561
  454    HB2  ASP  62           HB2      ASP  62  -3.435 -14.239   1.539
  455    HB3  ASP  62           HB1      ASP  62  -1.953 -13.385   1.936
  456    H    ASP  63           HN       ASP  63  -4.218 -13.630  -0.764
  457    HA   ASP  63           HA       ASP  63  -1.785 -13.655  -2.224
  458    HB2  ASP  63           HB2      ASP  63  -2.900 -15.053  -3.833
  459    HB3  ASP  63           HB1      ASP  63  -3.463 -15.524  -2.236
  460    H    VAL  64           HN       VAL  64  -4.453 -11.575  -2.176
  461    HA   VAL  64           HA       VAL  64  -3.984 -10.505  -4.814
  462    HB   VAL  64           HB       VAL  64  -5.904  -9.577  -2.642
  463   HG11  VAL  64          HG11      VAL  64  -5.305  -7.731  -4.135
  464   HG12  VAL  64          HG12      VAL  64  -6.972  -8.243  -4.403
  465   HG13  VAL  64          HG13      VAL  64  -5.708  -8.727  -5.533
  466   HG21  VAL  64          HG21      VAL  64  -7.628 -10.576  -4.071
  467   HG22  VAL  64          HG22      VAL  64  -6.451 -11.774  -3.535
  468   HG23  VAL  64          HG23      VAL  64  -6.376 -11.140  -5.180
  469    H    ALA  65           HN       ALA  65  -3.601  -9.542  -1.424
  470    HA   ALA  65           HA       ALA  65  -2.435  -7.006  -1.874
  471    HB1  ALA  65           HB1      ALA  65  -3.376  -7.674   0.296
  472    HB2  ALA  65           HB2      ALA  65  -1.700  -7.146   0.457
  473    HB3  ALA  65           HB3      ALA  65  -2.087  -8.865   0.485
  474    H    GLY  66           HN       GLY  66  -0.992 -10.201  -1.233
  475    HA2  GLY  66           HA2      GLY  66   1.670  -9.200  -1.781
  476    HA3  GLY  66           HA1      GLY  66   1.232 -10.869  -1.383
  477    H    ARG  67           HN       ARG  67   0.577  -8.495  -3.814
  478    HA   ARG  67           HA       ARG  67   1.544 -10.205  -5.937
  479    HB2  ARG  67           HB2      ARG  67  -0.885 -10.888  -5.387
  480    HB3  ARG  67           HB1      ARG  67  -1.330  -9.358  -6.133
  481    HG2  ARG  67           HG2      ARG  67  -1.511 -10.804  -7.893
  482    HG3  ARG  67           HG1      ARG  67   0.136 -10.187  -8.080
  483    HD2  ARG  67           HD2      ARG  67  -0.732 -12.857  -6.971
  484    HD3  ARG  67           HD1      ARG  67   0.230 -12.551  -8.408
  485    HE   ARG  67           HE       ARG  67   1.111 -12.361  -5.618
  486   HH11  ARG  67          HH11      ARG  67   2.038 -12.186  -9.054
  487   HH12  ARG  67          HH12      ARG  67   3.657 -12.618  -8.748
  488   HH21  ARG  67          HH21      ARG  67   3.335 -12.936  -5.250
  489   HH22  ARG  67          HH22      ARG  67   4.436 -12.975  -6.546
  490    H    VAL  68           HN       VAL  68   0.112  -7.210  -4.797
  491    HA   VAL  68           HA       VAL  68   0.235  -5.762  -7.192
  492    HB   VAL  68           HB       VAL  68   0.037  -3.739  -5.738
  493   HG11  VAL  68          HG11      VAL  68  -1.779  -6.017  -4.973
  494   HG12  VAL  68          HG12      VAL  68  -1.962  -4.953  -6.372
  495   HG13  VAL  68          HG13      VAL  68  -2.135  -4.305  -4.742
  496   HG21  VAL  68          HG21      VAL  68  -0.202  -3.998  -3.303
  497   HG22  VAL  68          HG22      VAL  68   1.412  -4.463  -3.842
  498   HG23  VAL  68          HG23      VAL  68   0.225  -5.703  -3.444
  499    H    ASP  69           HN       ASP  69   1.972  -5.519  -8.313
  500    HA   ASP  69           HA       ASP  69   4.614  -5.666  -7.230
  501    HB2  ASP  69           HB2      ASP  69   4.013  -6.492  -9.494
  502    HB3  ASP  69           HB1      ASP  69   3.763  -4.832 -10.006
  503    H    THR  70           HN       THR  70   2.560  -2.991  -8.291
  504    HA   THR  70           HA       THR  70   4.722  -1.160  -7.519
  505    HB   THR  70           HB       THR  70   3.644   0.507  -8.977
  506    HG1  THR  70           HG1      THR  70   1.981  -0.578 -10.464
  507   HG21  THR  70          HG21      THR  70   5.331  -0.927  -9.997
  508   HG22  THR  70          HG22      THR  70   4.061  -0.560 -11.170
  509   HG23  THR  70          HG23      THR  70   4.102  -2.134 -10.367
  510    HA   PRO  71           HA       PRO  71   2.025   0.479  -4.268
  511    HB2  PRO  71           HB2      PRO  71   2.991   3.137  -5.231
  512    HB3  PRO  71           HB1      PRO  71   2.976   2.477  -3.588
  513    HG2  PRO  71           HG2      PRO  71   5.249   2.611  -4.930
  514    HG3  PRO  71           HG1      PRO  71   4.869   1.176  -3.955
  515    HD2  PRO  71           HD2      PRO  71   4.698   1.555  -6.918
  516    HD3  PRO  71           HD1      PRO  71   5.287   0.160  -5.994
  517    H    ARG  72           HN       ARG  72   2.130   1.729  -7.523
  518    HA   ARG  72           HA       ARG  72  -0.309   3.108  -7.650
  519    HB2  ARG  72           HB2      ARG  72   1.286   3.078  -9.521
  520    HB3  ARG  72           HB1      ARG  72   0.965   1.370  -9.775
  521    HG2  ARG  72           HG2      ARG  72  -1.399   1.950 -10.279
  522    HG3  ARG  72           HG1      ARG  72  -0.951   3.655 -10.173
  523    HD2  ARG  72           HD2      ARG  72   0.275   1.646 -12.053
  524    HD3  ARG  72           HD1      ARG  72  -0.989   2.795 -12.484
  525    HE   ARG  72           HE       ARG  72   0.640   4.557 -11.867
  526   HH11  ARG  72          HH11      ARG  72   1.927   1.344 -12.706
  527   HH12  ARG  72          HH12      ARG  72   3.269   1.968 -13.565
  528   HH21  ARG  72          HH21      ARG  72   2.503   5.388 -13.073
  529   HH22  ARG  72          HH22      ARG  72   3.574   4.302 -13.818
  530    H    GLU  73           HN       GLU  73   0.366  -0.353  -8.281
  531    HA   GLU  73           HA       GLU  73  -2.293  -1.133  -8.709
  532    HB2  GLU  73           HB2      GLU  73  -0.001  -2.788  -7.640
  533    HB3  GLU  73           HB1      GLU  73  -1.529  -3.435  -8.204
  534    HG2  GLU  73           HG2      GLU  73   0.539  -1.994  -9.836
  535    HG3  GLU  73           HG1      GLU  73   0.146  -3.713  -9.889
  536    H    LEU  74           HN       LEU  74  -0.410  -0.892  -5.764
  537    HA   LEU  74           HA       LEU  74  -2.331  -2.132  -4.086
  538    HB2  LEU  74           HB2      LEU  74   0.124  -1.739  -3.558
  539    HB3  LEU  74           HB1      LEU  74  -0.262  -0.063  -3.284
  540    HG   LEU  74           HG       LEU  74   0.073  -1.411  -1.209
  541   HD11  LEU  74          HD11      LEU  74  -2.681  -0.250  -1.482
  542   HD12  LEU  74          HD12      LEU  74  -1.206   0.620  -1.057
  543   HD13  LEU  74          HD13      LEU  74  -1.854  -0.608   0.035
  544   HD21  LEU  74          HD21      LEU  74  -2.481  -2.775  -2.035
  545   HD22  LEU  74          HD22      LEU  74  -1.680  -2.951  -0.474
  546   HD23  LEU  74          HD23      LEU  74  -0.882  -3.512  -1.945
  547    H    LEU  75           HN       LEU  75  -1.737   1.255  -4.967
  548    HA   LEU  75           HA       LEU  75  -3.767   2.423  -3.397
  549    HB2  LEU  75           HB2      LEU  75  -1.918   3.667  -4.518
  550    HB3  LEU  75           HB1      LEU  75  -2.682   3.353  -6.064
  551    HG   LEU  75           HG       LEU  75  -4.662   4.662  -5.274
  552   HD11  LEU  75          HD11      LEU  75  -4.331   4.423  -2.889
  553   HD12  LEU  75          HD12      LEU  75  -4.388   6.124  -3.350
  554   HD13  LEU  75          HD13      LEU  75  -2.841   5.362  -2.988
  555   HD21  LEU  75          HD21      LEU  75  -2.025   6.114  -5.285
  556   HD22  LEU  75          HD22      LEU  75  -3.609   6.847  -5.548
  557   HD23  LEU  75          HD23      LEU  75  -2.975   5.674  -6.703
  558    H    ASP  76           HN       ASP  76  -3.669   1.281  -6.724
  559    HA   ASP  76           HA       ASP  76  -6.250   1.819  -7.594
  560    HB2  ASP  76           HB2      ASP  76  -4.565   1.041  -9.134
  561    HB3  ASP  76           HB1      ASP  76  -4.403  -0.481  -8.269
  562    H    LEU  77           HN       LEU  77  -4.989  -1.065  -6.027
  563    HA   LEU  77           HA       LEU  77  -7.279  -2.606  -5.955
  564    HB2  LEU  77           HB2      LEU  77  -5.071  -3.460  -5.478
  565    HB3  LEU  77           HB1      LEU  77  -4.962  -2.465  -4.046
  566    HG   LEU  77           HG       LEU  77  -6.712  -3.802  -2.976
  567   HD11  LEU  77          HD11      LEU  77  -7.501  -5.867  -4.025
  568   HD12  LEU  77          HD12      LEU  77  -6.620  -5.460  -5.497
  569   HD13  LEU  77          HD13      LEU  77  -7.966  -4.451  -4.968
  570   HD21  LEU  77          HD21      LEU  77  -4.448  -5.411  -4.142
  571   HD22  LEU  77          HD22      LEU  77  -5.397  -5.850  -2.720
  572   HD23  LEU  77          HD23      LEU  77  -4.379  -4.409  -2.694
  573    H    ILE  78           HN       ILE  78  -6.051  -0.384  -3.462
  574    HA   ILE  78           HA       ILE  78  -8.276  -0.864  -1.770
  575    HB   ILE  78           HB       ILE  78  -6.220   1.367  -1.634
  576   HG12  ILE  78          HG12      ILE  78  -6.471  -1.293  -0.211
  577   HG13  ILE  78          HG11      ILE  78  -5.263  -0.861  -1.411
  578   HG21  ILE  78          HG21      ILE  78  -8.293   1.987  -0.444
  579   HG22  ILE  78          HG22      ILE  78  -6.985   1.671   0.693
  580   HG23  ILE  78          HG23      ILE  78  -8.244   0.460   0.440
  581   HD11  ILE  78          HD11      ILE  78  -5.554   0.333   1.326
  582   HD12  ILE  78          HD12      ILE  78  -4.339   0.789   0.131
  583   HD13  ILE  78          HD13      ILE  78  -4.336  -0.838   0.818
  584    H    ASN  79           HN       ASN  79  -7.478   1.852  -3.953
  585    HA   ASN  79           HA       ASN  79  -9.843   3.219  -3.262
  586    HB2  ASN  79           HB2      ASN  79  -7.920   3.630  -5.516
  587    HB3  ASN  79           HB1      ASN  79  -9.440   4.526  -5.463
  588   HD21  ASN  79          HD21      ASN  79  -6.819   5.635  -5.222
  589   HD22  ASN  79          HD22      ASN  79  -6.713   6.355  -3.661
  590    H    GLY  80           HN       GLY  80  -9.258   0.788  -5.615
  591    HA2  GLY  80           HA2      GLY  80 -11.702   1.040  -7.007
  592    HA3  GLY  80           HA1      GLY  80 -10.784  -0.455  -6.820
  593    H    ALA  81           HN       ALA  81 -10.824  -0.501  -3.986
  594    HA   ALA  81           HA       ALA  81 -13.381  -1.700  -3.515
  595    HB1  ALA  81           HB1      ALA  81 -11.112  -1.123  -1.598
  596    HB2  ALA  81           HB2      ALA  81 -11.341  -2.615  -2.508
  597    HB3  ALA  81           HB3      ALA  81 -12.501  -2.157  -1.263
  598    H    LEU  82           HN       LEU  82 -11.719   1.207  -2.488
  599    HA   LEU  82           HA       LEU  82 -13.681   2.128  -0.717
  600    HB2  LEU  82           HB2      LEU  82 -11.565   3.656  -2.208
  601    HB3  LEU  82           HB1      LEU  82 -12.586   4.358  -0.967
  602    HG   LEU  82           HG       LEU  82 -10.591   2.136  -0.599
  603   HD11  LEU  82          HD11      LEU  82  -9.590   4.337  -0.825
  604   HD12  LEU  82          HD12      LEU  82  -9.453   3.750   0.831
  605   HD13  LEU  82          HD13      LEU  82 -10.665   4.966   0.422
  606   HD21  LEU  82          HD21      LEU  82 -12.430   3.430   1.403
  607   HD22  LEU  82          HD22      LEU  82 -11.175   2.235   1.750
  608   HD23  LEU  82          HD23      LEU  82 -12.573   1.788   0.775
  609    H    ALA  83           HN       ALA  83 -13.341   2.478  -4.159
  610    HA   ALA  83           HA       ALA  83 -15.370   4.461  -4.431
  611    HB1  ALA  83           HB1      ALA  83 -13.634   4.123  -6.131
  612    HB2  ALA  83           HB2      ALA  83 -15.252   3.972  -6.818
  613    HB3  ALA  83           HB3      ALA  83 -14.295   2.528  -6.485
  614    H    GLU  84           HN       GLU  84 -15.672   1.457  -3.312
  615    HA   GLU  84           HA       GLU  84 -18.378   1.160  -4.414
  616    HB2  GLU  84           HB2      GLU  84 -16.659  -0.600  -5.078
  617    HB3  GLU  84           HB1      GLU  84 -16.662  -1.089  -3.389
  618    HG2  GLU  84           HG2      GLU  84 -18.123  -2.528  -4.578
  619    HG3  GLU  84           HG1      GLU  84 -19.105  -1.456  -3.574
  620    H    ALA  85           HN       ALA  85 -16.248   0.519  -1.635
  621    HA   ALA  85           HA       ALA  85 -18.485  -0.007   0.114
  622    HB1  ALA  85           HB1      ALA  85 -16.817  -0.539   1.775
  623    HB2  ALA  85           HB2      ALA  85 -15.547   0.113   0.737
  624    HB3  ALA  85           HB3      ALA  85 -16.438  -1.328   0.241
  625    H    ALA  86           HN       ALA  86 -16.459   2.752  -0.583
  626    HA   ALA  86           HA       ALA  86 -17.339   4.012   1.887
  627    HB1  ALA  86           HB1      ALA  86 -14.921   4.097   1.454
  628    HB2  ALA  86           HB2      ALA  86 -15.631   5.711   1.437
  629    HB3  ALA  86           HB3      ALA  86 -15.227   4.909  -0.082
  630    H28  SXD  87          H28B      SXD  87   2.468 -13.317   0.760
  631   H28A  SXD  87          H28A      SXD  87   3.520 -12.314   1.763
  632    H30  SXD  87          H30A      SXD  87   1.448 -14.123   4.124
  633   H30A  SXD  87          H30C      SXD  87   1.891 -12.536   3.502
  634   H30B  SXD  87          H30B      SXD  87   0.904 -13.625   2.510
  635    H31  SXD  87          H31A      SXD  87   1.847 -15.563   1.502
  636   H31A  SXD  87          H31C      SXD  87   3.547 -15.976   1.710
  637   H31B  SXD  87          H31B      SXD  87   2.412 -16.207   3.055
  638    H32  SXD  87          H32A      SXD  87   4.206 -13.135   4.130
  639   HO33  SXD  87          H33A      SXD  87   5.172 -14.303   2.127
  640   HN36  SXD  87          H36A      SXD  87   2.268 -14.189   5.503
  641    H37  SXD  87          H37B      SXD  87   3.344 -16.513   6.972
  642   H37A  SXD  87          H37A      SXD  87   1.639 -16.385   6.530
  643    H38  SXD  87          H38A      SXD  87   1.453 -14.315   7.868
  644   H38A  SXD  87          H38B      SXD  87   1.823 -15.744   8.795
  645   HN41  SXD  87          H41A      SXD  87   4.571 -15.083   7.239
  646    H42  SXD  87          H42B      SXD  87   6.058 -14.262   9.499
  647   H42A  SXD  87          H42A      SXD  87   5.808 -12.900   8.399
  648    H43  SXD  87          H43B      SXD  87   7.101 -15.528   7.691
  649   H43A  SXD  87          H43A      SXD  87   6.783 -14.194   6.578
  650    H1   SXD  87           H1A      SXD  87  10.669 -14.028   6.941
  651    H1A  SXD  87           H1B      SXD  87   9.292 -14.200   5.836
  652    H2   SXD  87           H2A      SXD  87   8.868 -16.419   6.970
  653    H2A  SXD  87           H2B      SXD  87  10.311 -16.125   7.928
  654    H4   SXD  87           H4B      SXD  87  12.032 -15.555   4.571
  655    H4A  SXD  87           H4A      SXD  87  12.139 -15.085   6.267
  656    H6   SXD  87           H6C      SXD  87  14.585 -15.522   6.780
  657    H6A  SXD  87           H6A      SXD  87  14.996 -17.237   6.884
  658    H6B  SXD  87           H6B      SXD  87  13.652 -16.594   7.834
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -16.363  11.756  -5.703
    2    H2   MET   1           HT2      MET   1 -16.837  11.473  -4.100
    3    H3   MET   1           HT3      MET   1 -16.962  10.263  -5.289
    4    HA   MET   1           HA       MET   1 -14.727  10.006  -5.588
    5    HB2  MET   1           HB2      MET   1 -14.379  12.210  -3.556
    6    HB3  MET   1           HB1      MET   1 -13.082  11.142  -4.068
    7    HG2  MET   1           HG2      MET   1 -13.352  11.960  -6.365
    8    HG3  MET   1           HG1      MET   1 -14.612  13.057  -5.809
    9    HE1  MET   1           HE1      MET   1 -14.161  15.030  -4.028
   10    HE2  MET   1           HE2      MET   1 -12.569  15.388  -3.361
   11    HE3  MET   1           HE3      MET   1 -13.389  13.887  -2.929
   12    H    ALA   2           HN       ALA   2 -16.440  10.527  -2.534
   13    HA   ALA   2           HA       ALA   2 -16.666   9.359  -0.689
   14    HB1  ALA   2           HB1      ALA   2 -15.351   7.050  -2.165
   15    HB2  ALA   2           HB2      ALA   2 -17.082   7.380  -2.133
   16    HB3  ALA   2           HB3      ALA   2 -16.245   6.927  -0.649
   17    H    THR   3           HN       THR   3 -15.015   7.679   0.776
   18    HA   THR   3           HA       THR   3 -12.806   9.483   1.299
   19    HB   THR   3           HB       THR   3 -13.727   7.008   2.720
   20    HG1  THR   3           HG1      THR   3 -15.139   9.082   2.423
   21   HG21  THR   3          HG21      THR   3 -11.459   7.727   3.322
   22   HG22  THR   3          HG22      THR   3 -12.564   7.997   4.669
   23   HG23  THR   3          HG23      THR   3 -12.056   9.351   3.661
   24    H    LEU   4           HN       LEU   4 -11.061   9.091   0.072
   25    HA   LEU   4           HA       LEU   4 -10.400   6.310  -0.728
   26    HB2  LEU   4           HB2      LEU   4  -9.776   8.909  -2.109
   27    HB3  LEU   4           HB1      LEU   4  -9.260   7.325  -2.629
   28    HG   LEU   4           HG       LEU   4 -12.140   8.199  -2.469
   29   HD11  LEU   4          HD11      LEU   4 -12.007   8.319  -4.905
   30   HD12  LEU   4          HD12      LEU   4 -10.280   7.967  -4.826
   31   HD13  LEU   4          HD13      LEU   4 -10.908   9.466  -4.140
   32   HD21  LEU   4          HD21      LEU   4 -10.835   5.775  -3.712
   33   HD22  LEU   4          HD22      LEU   4 -12.551   6.178  -3.787
   34   HD23  LEU   4          HD23      LEU   4 -11.804   5.779  -2.240
   35    H    LEU   5           HN       LEU   5  -8.037   6.548  -1.639
   36    HA   LEU   5           HA       LEU   5  -6.304   7.495   0.552
   37    HB2  LEU   5           HB2      LEU   5  -5.917   5.240  -1.413
   38    HB3  LEU   5           HB1      LEU   5  -4.672   5.833  -0.336
   39    HG   LEU   5           HG       LEU   5  -7.245   4.539   0.529
   40   HD11  LEU   5          HD11      LEU   5  -4.426   3.490   0.313
   41   HD12  LEU   5          HD12      LEU   5  -5.777   3.036  -0.726
   42   HD13  LEU   5          HD13      LEU   5  -5.802   2.618   0.987
   43   HD21  LEU   5          HD21      LEU   5  -4.723   5.248   2.010
   44   HD22  LEU   5          HD22      LEU   5  -6.117   4.394   2.674
   45   HD23  LEU   5          HD23      LEU   5  -6.272   6.074   2.165
   46    H    THR   6           HN       THR   6  -5.084   9.152  -0.042
   47    HA   THR   6           HA       THR   6  -4.732   9.726  -2.864
   48    HB   THR   6           HB       THR   6  -3.775  11.862  -2.059
   49    HG1  THR   6           HG1      THR   6  -4.447  10.902   0.560
   50   HG21  THR   6          HG21      THR   6  -5.824  12.779  -1.058
   51   HG22  THR   6          HG22      THR   6  -6.400  11.141  -0.738
   52   HG23  THR   6          HG23      THR   6  -6.200  11.699  -2.400
   53    H    THR   7           HN       THR   7  -2.282  10.955  -2.941
   54    HA   THR   7           HA       THR   7  -0.421   8.879  -2.961
   55    HB   THR   7           HB       THR   7   1.102  11.011  -3.154
   56    HG1  THR   7           HG1      THR   7   0.027  12.809  -2.901
   57   HG21  THR   7          HG21      THR   7  -1.071  10.397  -5.180
   58   HG22  THR   7          HG22      THR   7   0.473   9.557  -5.046
   59   HG23  THR   7          HG23      THR   7   0.431  11.257  -5.516
   60    H    ASP   8           HN       ASP   8  -1.139  11.528  -0.758
   61    HA   ASP   8           HA       ASP   8   0.974  11.261   1.070
   62    HB2  ASP   8           HB2      ASP   8  -1.848  12.285   1.454
   63    HB3  ASP   8           HB1      ASP   8  -0.577  12.432   2.659
   64    H    ASP   9           HN       ASP   9  -2.277   9.927   1.035
   65    HA   ASP   9           HA       ASP   9  -2.111   8.563   3.517
   66    HB2  ASP   9           HB2      ASP   9  -3.847   7.821   1.146
   67    HB3  ASP   9           HB1      ASP   9  -4.049   7.240   2.790
   68    H    LEU  10           HN       LEU  10  -1.543   7.514   0.196
   69    HA   LEU  10           HA       LEU  10  -0.963   4.828   0.773
   70    HB2  LEU  10           HB2      LEU  10  -1.446   5.696  -1.492
   71    HB3  LEU  10           HB1      LEU  10   0.089   6.540  -1.482
   72    HG   LEU  10           HG       LEU  10   1.251   4.353  -1.343
   73   HD11  LEU  10          HD11      LEU  10   0.016   2.306  -1.840
   74   HD12  LEU  10          HD12      LEU  10  -1.498   3.207  -1.774
   75   HD13  LEU  10          HD13      LEU  10  -0.511   3.035  -0.322
   76   HD21  LEU  10          HD21      LEU  10   0.816   3.702  -3.682
   77   HD22  LEU  10          HD22      LEU  10   0.994   5.444  -3.476
   78   HD23  LEU  10          HD23      LEU  10  -0.611   4.745  -3.682
   79    H    ARG  11           HN       ARG  11   1.101   7.689   0.532
   80    HA   ARG  11           HA       ARG  11   3.570   6.492   0.915
   81    HB2  ARG  11           HB2      ARG  11   3.458   8.773   0.248
   82    HB3  ARG  11           HB1      ARG  11   2.544   9.217   1.679
   83    HG2  ARG  11           HG2      ARG  11   4.460   8.881   3.078
   84    HG3  ARG  11           HG1      ARG  11   5.383   8.229   1.723
   85    HD2  ARG  11           HD2      ARG  11   5.960  10.560   2.230
   86    HD3  ARG  11           HD1      ARG  11   5.317  10.352   0.605
   87    HE   ARG  11           HE       ARG  11   3.662  11.322   2.837
   88   HH11  ARG  11          HH11      ARG  11   4.722  11.551  -0.527
   89   HH12  ARG  11          HH12      ARG  11   3.909  13.049  -0.805
   90   HH21  ARG  11          HH21      ARG  11   2.567  13.285   2.448
   91   HH22  ARG  11          HH22      ARG  11   2.618  14.047   0.936
   92    H    ARG  12           HN       ARG  12   1.331   7.777   3.343
   93    HA   ARG  12           HA       ARG  12   3.003   7.078   5.489
   94    HB2  ARG  12           HB2      ARG  12   0.035   7.602   5.496
   95    HB3  ARG  12           HB1      ARG  12   0.990   7.348   6.947
   96    HG2  ARG  12           HG2      ARG  12   2.400   9.296   6.244
   97    HG3  ARG  12           HG1      ARG  12   1.219   9.600   4.973
   98    HD2  ARG  12           HD2      ARG  12   0.743  10.995   6.886
   99    HD3  ARG  12           HD1      ARG  12  -0.536   9.799   6.687
  100    HE   ARG  12           HE       ARG  12   1.362   8.751   8.426
  101   HH11  ARG  12          HH11      ARG  12  -0.849  11.537   8.448
  102   HH12  ARG  12          HH12      ARG  12  -1.204  11.418  10.095
  103   HH21  ARG  12          HH21      ARG  12   0.944   8.648  10.710
  104   HH22  ARG  12          HH22      ARG  12  -0.140   9.751  11.444
  105    H    ALA  13           HN       ALA  13   0.510   5.295   3.815
  106    HA   ALA  13           HA       ALA  13   0.071   3.198   5.560
  107    HB1  ALA  13           HB1      ALA  13   0.335   3.008   2.565
  108    HB2  ALA  13           HB2      ALA  13  -1.118   3.488   3.442
  109    HB3  ALA  13           HB3      ALA  13  -0.486   1.851   3.611
  110    H    LEU  14           HN       LEU  14   2.669   3.463   3.147
  111    HA   LEU  14           HA       LEU  14   3.918   1.047   3.875
  112    HB2  LEU  14           HB2      LEU  14   4.840   3.435   2.301
  113    HB3  LEU  14           HB1      LEU  14   5.898   2.087   2.631
  114    HG   LEU  14           HG       LEU  14   4.245   0.615   1.448
  115   HD11  LEU  14          HD11      LEU  14   2.694   1.616  -0.133
  116   HD12  LEU  14          HD12      LEU  14   3.032   3.205   0.552
  117   HD13  LEU  14          HD13      LEU  14   2.268   1.963   1.544
  118   HD21  LEU  14          HD21      LEU  14   5.553   2.822  -0.124
  119   HD22  LEU  14          HD22      LEU  14   4.973   1.307  -0.802
  120   HD23  LEU  14          HD23      LEU  14   6.291   1.300   0.375
  121    H    VAL  15           HN       VAL  15   4.640   4.425   4.670
  122    HA   VAL  15           HA       VAL  15   7.038   3.832   6.130
  123    HB   VAL  15           HB       VAL  15   5.360   6.346   6.122
  124   HG11  VAL  15          HG11      VAL  15   6.870   6.288   8.046
  125   HG12  VAL  15          HG12      VAL  15   7.407   7.490   6.872
  126   HG13  VAL  15          HG13      VAL  15   8.233   5.936   6.982
  127   HG21  VAL  15          HG21      VAL  15   6.994   7.180   4.495
  128   HG22  VAL  15          HG22      VAL  15   6.116   5.770   3.903
  129   HG23  VAL  15          HG23      VAL  15   7.776   5.598   4.483
  130    H    GLU  16           HN       GLU  16   3.733   4.511   7.244
  131    HA   GLU  16           HA       GLU  16   4.415   4.595   9.996
  132    HB2  GLU  16           HB2      GLU  16   1.774   3.728   8.803
  133    HB3  GLU  16           HB1      GLU  16   2.041   4.272  10.448
  134    HG2  GLU  16           HG2      GLU  16   2.301   5.939   7.957
  135    HG3  GLU  16           HG1      GLU  16   0.957   5.966   9.086
  136    H    SER  17           HN       SER  17   3.830   2.002   7.790
  137    HA   SER  17           HA       SER  17   3.638  -0.001   9.850
  138    HB2  SER  17           HB2      SER  17   3.915  -0.310   6.852
  139    HB3  SER  17           HB1      SER  17   3.438  -1.571   7.994
  140    HG   SER  17           HG       SER  17   1.990   0.472   6.894
  141    H    ALA  18           HN       ALA  18   5.994   0.891   7.290
  142    HA   ALA  18           HA       ALA  18   7.913  -0.899   8.488
  143    HB1  ALA  18           HB1      ALA  18   8.205   0.829   6.035
  144    HB2  ALA  18           HB2      ALA  18   7.710  -0.865   6.041
  145    HB3  ALA  18           HB3      ALA  18   9.332  -0.415   6.574
  146    H    GLY  19           HN       GLY  19   7.704   0.421  10.363
  147    HA2  GLY  19           HA2      GLY  19   8.722   1.689  12.002
  148    HA3  GLY  19           HA1      GLY  19  10.151   1.644  10.984
  149    H    GLU  20           HN       GLU  20  10.742   3.369   9.950
  150    HA   GLU  20           HA       GLU  20   8.986   5.484   9.255
  151    HB2  GLU  20           HB2      GLU  20   9.497   6.081  11.601
  152    HB3  GLU  20           HB1      GLU  20  11.218   5.987  11.238
  153    HG2  GLU  20           HG2      GLU  20  10.960   7.817   9.626
  154    HG3  GLU  20           HG1      GLU  20   9.253   7.933  10.058
  155    H    THR  21           HN       THR  21   9.614   5.317   7.225
  156    HA   THR  21           HA       THR  21  10.858   5.537   5.342
  157    HB   THR  21           HB       THR  21  13.079   6.653   7.103
  158    HG1  THR  21           HG1      THR  21  12.067   8.571   7.094
  159   HG21  THR  21          HG21      THR  21  12.230   7.329   4.270
  160   HG22  THR  21          HG22      THR  21  13.641   6.368   4.714
  161   HG23  THR  21          HG23      THR  21  13.564   8.075   5.153
  162    H    ASP  22           HN       ASP  22  10.918   3.078   6.921
  163    HA   ASP  22           HA       ASP  22  13.664   2.171   6.729
  164    HB2  ASP  22           HB2      ASP  22  12.192   1.605   8.709
  165    HB3  ASP  22           HB1      ASP  22  11.251   0.585   7.626
  166    H    GLY  23           HN       GLY  23  14.277   1.702   4.767
  167    HA2  GLY  23           HA2      GLY  23  14.140  -0.061   3.067
  168    HA3  GLY  23           HA1      GLY  23  12.403   0.247   3.030
  169    H    THR  24           HN       THR  24  12.189   2.907   3.041
  170    HA   THR  24           HA       THR  24  13.924   4.377   1.483
  171    HB   THR  24           HB       THR  24  13.235   2.807  -0.348
  172    HG1  THR  24           HG1      THR  24  13.558   4.483  -1.513
  173   HG21  THR  24          HG21      THR  24  10.455   3.920   0.104
  174   HG22  THR  24          HG22      THR  24  10.969   2.261   0.412
  175   HG23  THR  24          HG23      THR  24  10.930   2.880  -1.241
  176    H    ASP  25           HN       ASP  25  12.162   6.144   0.306
  177    HA   ASP  25           HA       ASP  25  10.103   6.771   2.269
  178    HB2  ASP  25           HB2      ASP  25  10.693   9.091   2.508
  179    HB3  ASP  25           HB1      ASP  25  12.166   8.192   2.817
  180    H    LEU  26           HN       LEU  26   8.459   8.172   1.367
  181    HA   LEU  26           HA       LEU  26   8.345   7.695  -1.542
  182    HB2  LEU  26           HB2      LEU  26   6.102   7.496   0.474
  183    HB3  LEU  26           HB1      LEU  26   5.909   7.339  -1.251
  184    HG   LEU  26           HG       LEU  26   5.795   5.182  -0.443
  185   HD11  LEU  26          HD11      LEU  26   7.170   5.249  -2.375
  186   HD12  LEU  26          HD12      LEU  26   7.740   3.980  -1.291
  187   HD13  LEU  26          HD13      LEU  26   8.612   5.510  -1.394
  188   HD21  LEU  26          HD21      LEU  26   8.242   5.662   1.257
  189   HD22  LEU  26          HD22      LEU  26   7.398   4.120   1.100
  190   HD23  LEU  26          HD23      LEU  26   6.581   5.501   1.830
  191    H    SER  27           HN       SER  27   9.324  10.055  -0.669
  192    HA   SER  27           HA       SER  27   7.368  12.060  -0.354
  193    HB2  SER  27           HB2      SER  27   9.347  13.568  -0.995
  194    HB3  SER  27           HB1      SER  27   9.519  12.571   0.452
  195    HG   SER  27           HG       SER  27  10.958  11.350  -0.513
  196    H    GLY  28           HN       GLY  28   6.143  13.075  -1.788
  197    HA2  GLY  28           HA2      GLY  28   5.481  14.040  -3.787
  198    HA3  GLY  28           HA1      GLY  28   6.932  13.402  -4.543
  199    H    ASP  29           HN       ASP  29   6.390  12.198  -6.170
  200    HA   ASP  29           HA       ASP  29   4.045  10.437  -5.988
  201    HB2  ASP  29           HB2      ASP  29   3.950  10.395  -8.382
  202    HB3  ASP  29           HB1      ASP  29   4.221  12.073  -7.954
  203    H    PHE  30           HN       PHE  30   4.280   8.240  -6.395
  204    HA   PHE  30           HA       PHE  30   6.940   7.128  -6.737
  205    HB2  PHE  30           HB2      PHE  30   6.912   6.008  -4.520
  206    HB3  PHE  30           HB1      PHE  30   7.005   7.760  -4.399
  207    HD1  PHE  30           HD2      PHE  30   4.989   9.051  -3.699
  208    HD2  PHE  30           HD1      PHE  30   5.095   4.802  -3.595
  209    HE1  PHE  30           HE2      PHE  30   3.050   9.043  -2.198
  210    HE2  PHE  30           HE1      PHE  30   3.159   4.791  -2.092
  211    HZ   PHE  30           HZ       PHE  30   2.137   6.912  -1.395
  212    H    LEU  31           HN       LEU  31   4.291   6.922  -7.997
  213    HA   LEU  31           HA       LEU  31   3.215   4.402  -7.066
  214    HB2  LEU  31           HB2      LEU  31   2.262   6.363  -9.125
  215    HB3  LEU  31           HB1      LEU  31   1.570   4.764  -9.012
  216    HG   LEU  31           HG       LEU  31   0.890   5.272  -6.669
  217   HD11  LEU  31          HD11      LEU  31   1.765   8.079  -7.311
  218   HD12  LEU  31          HD12      LEU  31   2.489   7.003  -6.115
  219   HD13  LEU  31          HD13      LEU  31   0.837   7.577  -5.896
  220   HD21  LEU  31          HD21      LEU  31  -0.143   7.130  -8.797
  221   HD22  LEU  31          HD22      LEU  31  -0.973   6.731  -7.293
  222   HD23  LEU  31          HD23      LEU  31  -0.676   5.477  -8.498
  223    H    ASP  32           HN       ASP  32   5.301   5.505  -9.535
  224    HA   ASP  32           HA       ASP  32   4.941   3.109 -11.155
  225    HB2  ASP  32           HB2      ASP  32   6.384   4.091 -12.768
  226    HB3  ASP  32           HB1      ASP  32   5.346   5.381 -12.178
  227    H    LEU  33           HN       LEU  33   6.393   3.584  -8.389
  228    HA   LEU  33           HA       LEU  33   8.993   2.462  -8.795
  229    HB2  LEU  33           HB2      LEU  33   7.281   2.677  -6.363
  230    HB3  LEU  33           HB1      LEU  33   8.957   2.152  -6.326
  231    HG   LEU  33           HG       LEU  33   7.909   4.892  -7.013
  232   HD11  LEU  33          HD11      LEU  33   8.009   4.406  -4.637
  233   HD12  LEU  33          HD12      LEU  33   9.247   5.584  -5.078
  234   HD13  LEU  33          HD13      LEU  33   9.691   3.901  -4.792
  235   HD21  LEU  33          HD21      LEU  33  10.255   5.566  -7.320
  236   HD22  LEU  33          HD22      LEU  33   9.766   4.357  -8.506
  237   HD23  LEU  33          HD23      LEU  33  10.759   3.887  -7.126
  238    H    ARG  34           HN       ARG  34   9.592   0.405  -7.726
  239    HA   ARG  34           HA       ARG  34   7.425  -1.574  -7.998
  240    HB2  ARG  34           HB2      ARG  34  10.358  -1.945  -8.614
  241    HB3  ARG  34           HB1      ARG  34   9.142  -3.209  -8.664
  242    HG2  ARG  34           HG2      ARG  34   7.990  -2.004 -10.467
  243    HG3  ARG  34           HG1      ARG  34   9.261  -0.778 -10.435
  244    HD2  ARG  34           HD2      ARG  34   9.653  -3.713 -10.990
  245    HD3  ARG  34           HD1      ARG  34   9.630  -2.436 -12.204
  246    HE   ARG  34           HE       ARG  34  11.633  -1.539 -11.156
  247   HH11  ARG  34          HH11      ARG  34  10.794  -4.853 -10.179
  248   HH12  ARG  34          HH12      ARG  34  12.420  -5.360 -10.084
  249   HH21  ARG  34          HH21      ARG  34  13.882  -2.305 -10.960
  250   HH22  ARG  34          HH22      ARG  34  14.137  -3.914 -10.448
  251    H    PHE  35           HN       PHE  35   7.100  -2.829  -6.293
  252    HA   PHE  35           HA       PHE  35   8.239  -2.154  -3.837
  253    HB2  PHE  35           HB2      PHE  35   6.623  -4.570  -4.606
  254    HB3  PHE  35           HB1      PHE  35   7.144  -4.253  -2.954
  255    HD1  PHE  35           HD1      PHE  35   6.631  -1.660  -2.262
  256    HD2  PHE  35           HD2      PHE  35   4.487  -3.999  -5.087
  257    HE1  PHE  35           HE1      PHE  35   4.658  -0.237  -1.944
  258    HE2  PHE  35           HE2      PHE  35   2.512  -2.576  -4.774
  259    HZ   PHE  35           HZ       PHE  35   2.616  -0.681  -3.138
  260    H    GLU  36           HN       GLU  36   9.070  -4.787  -6.013
  261    HA   GLU  36           HA       GLU  36  10.853  -6.071  -4.244
  262    HB2  GLU  36           HB2      GLU  36  10.895  -6.036  -7.270
  263    HB3  GLU  36           HB1      GLU  36  11.764  -7.170  -6.246
  264    HG2  GLU  36           HG2      GLU  36   9.632  -8.026  -5.394
  265    HG3  GLU  36           HG1      GLU  36   8.772  -6.897  -6.437
  266    H    ASP  37           HN       ASP  37  11.158  -3.313  -6.315
  267    HA   ASP  37           HA       ASP  37  14.035  -3.243  -6.214
  268    HB2  ASP  37           HB2      ASP  37  12.922  -2.390  -8.199
  269    HB3  ASP  37           HB1      ASP  37  12.027  -1.224  -7.232
  270    H    ILE  38           HN       ILE  38  11.351  -1.479  -4.710
  271    HA   ILE  38           HA       ILE  38  13.206   0.125  -3.209
  272    HB   ILE  38           HB       ILE  38  11.263   1.206  -2.149
  273   HG12  ILE  38          HG12      ILE  38   9.611  -0.643  -3.901
  274   HG13  ILE  38          HG11      ILE  38   9.734  -0.746  -2.152
  275   HG21  ILE  38          HG21      ILE  38  11.137   1.023  -5.157
  276   HG22  ILE  38          HG22      ILE  38  12.160   2.105  -4.208
  277   HG23  ILE  38          HG23      ILE  38  10.408   2.299  -4.180
  278   HD11  ILE  38          HD11      ILE  38   8.668   1.444  -1.952
  279   HD12  ILE  38          HD12      ILE  38   7.656   0.302  -2.836
  280   HD13  ILE  38          HD13      ILE  38   8.551   1.548  -3.710
  281    H    GLY  39           HN       GLY  39  12.480  -2.910  -2.758
  282    HA2  GLY  39           HA2      GLY  39  13.086  -4.257  -0.972
  283    HA3  GLY  39           HA1      GLY  39  13.413  -2.807  -0.045
  284    H    TYR  40           HN       TYR  40  10.404  -3.846  -1.562
  285    HA   TYR  40           HA       TYR  40   9.241  -4.172   1.099
  286    HB2  TYR  40           HB2      TYR  40   8.235  -2.664  -1.258
  287    HB3  TYR  40           HB1      TYR  40   7.061  -3.575  -0.322
  288    HD1  TYR  40           HD1      TYR  40   9.675  -1.003  -0.090
  289    HD2  TYR  40           HD2      TYR  40   6.214  -2.689   1.708
  290    HE1  TYR  40           HE1      TYR  40   9.630   0.844   1.456
  291    HE2  TYR  40           HE2      TYR  40   6.125  -0.820   3.306
  292    HH   TYR  40           HH       TYR  40   7.999   2.006   2.930
  293    H    ASP  41           HN       ASP  41   8.882  -6.192   1.395
  294    HA   ASP  41           HA       ASP  41   8.256  -7.906  -0.887
  295    HB2  ASP  41           HB2      ASP  41   8.714  -9.795   0.459
  296    HB3  ASP  41           HB1      ASP  41   9.934  -8.619   0.912
  297    H    SER  42           HN       SER  42   6.627  -9.682  -0.223
  298    HA   SER  42           HA       SER  42   4.142  -8.408  -0.269
  299    HB2  SER  42           HB2      SER  42   3.412 -10.893  -0.076
  300    HB3  SER  42           HB1      SER  42   4.230 -10.306  -1.532
  301    H    LEU  43           HN       LEU  43   5.903  -9.910   2.404
  302    HA   LEU  43           HA       LEU  43   3.571 -10.195   4.042
  303    HB2  LEU  43           HB2      LEU  43   5.701 -11.516   4.327
  304    HB3  LEU  43           HB1      LEU  43   6.462 -10.056   4.918
  305    HG   LEU  43           HG       LEU  43   4.811 -10.014   6.785
  306   HD11  LEU  43          HD11      LEU  43   3.031 -11.291   5.766
  307   HD12  LEU  43          HD12      LEU  43   3.555 -12.084   7.256
  308   HD13  LEU  43          HD13      LEU  43   4.065 -12.715   5.685
  309   HD21  LEU  43          HD21      LEU  43   6.493 -12.509   6.545
  310   HD22  LEU  43          HD22      LEU  43   5.868 -11.833   8.049
  311   HD23  LEU  43          HD23      LEU  43   7.052 -10.931   7.102
  312    H    ALA  44           HN       ALA  44   6.087  -7.818   3.601
  313    HA   ALA  44           HA       ALA  44   5.218  -6.030   5.660
  314    HB1  ALA  44           HB1      ALA  44   6.624  -4.368   4.537
  315    HB2  ALA  44           HB2      ALA  44   6.779  -5.433   3.138
  316    HB3  ALA  44           HB3      ALA  44   7.478  -5.905   4.685
  317    H    LEU  45           HN       LEU  45   4.401  -6.500   2.299
  318    HA   LEU  45           HA       LEU  45   2.827  -4.193   2.067
  319    HB2  LEU  45           HB2      LEU  45   2.709  -6.776   0.516
  320    HB3  LEU  45           HB1      LEU  45   1.801  -5.338   0.088
  321    HG   LEU  45           HG       LEU  45   4.807  -5.566   0.166
  322   HD11  LEU  45          HD11      LEU  45   3.838  -6.776  -1.694
  323   HD12  LEU  45          HD12      LEU  45   4.664  -5.315  -2.247
  324   HD13  LEU  45          HD13      LEU  45   2.903  -5.350  -2.151
  325   HD21  LEU  45          HD21      LEU  45   4.783  -3.329  -0.823
  326   HD22  LEU  45          HD22      LEU  45   4.056  -3.339   0.783
  327   HD23  LEU  45          HD23      LEU  45   3.030  -3.273  -0.651
  328    H    MET  46           HN       MET  46   2.118  -7.470   3.131
  329    HA   MET  46           HA       MET  46  -0.684  -7.411   3.467
  330    HB2  MET  46           HB2      MET  46   1.307  -8.547   5.452
  331    HB3  MET  46           HB1      MET  46  -0.389  -8.963   5.338
  332    HG2  MET  46           HG2      MET  46   1.670  -9.493   3.249
  333    HG3  MET  46           HG1      MET  46   1.150 -10.636   4.485
  334    HE1  MET  46           HE1      MET  46  -0.418 -12.001   1.151
  335    HE2  MET  46           HE2      MET  46   0.631 -12.367   2.522
  336    HE3  MET  46           HE3      MET  46   1.127 -11.169   1.327
  337    H    GLU  47           HN       GLU  47   1.869  -6.696   5.701
  338    HA   GLU  47           HA       GLU  47   0.441  -5.673   7.819
  339    HB2  GLU  47           HB2      GLU  47   3.206  -5.433   6.808
  340    HB3  GLU  47           HB1      GLU  47   2.815  -4.648   8.344
  341    HG2  GLU  47           HG2      GLU  47   2.028  -6.975   9.062
  342    HG3  GLU  47           HG1      GLU  47   2.763  -7.564   7.576
  343    H    THR  48           HN       THR  48   1.711  -4.042   4.999
  344    HA   THR  48           HA       THR  48   1.130  -1.370   5.695
  345    HB   THR  48           HB       THR  48   1.333  -2.760   3.010
  346    HG1  THR  48           HG1      THR  48   3.253  -2.797   4.221
  347   HG21  THR  48          HG21      THR  48   1.718  -0.508   2.043
  348   HG22  THR  48          HG22      THR  48   1.355   0.217   3.612
  349   HG23  THR  48          HG23      THR  48   0.104  -0.661   2.732
  350    H    ALA  49           HN       ALA  49  -0.645  -3.599   3.501
  351    HA   ALA  49           HA       ALA  49  -2.860  -1.958   3.069
  352    HB1  ALA  49           HB1      ALA  49  -2.725  -4.966   2.907
  353    HB2  ALA  49           HB2      ALA  49  -2.251  -3.846   1.629
  354    HB3  ALA  49           HB3      ALA  49  -3.935  -3.931   2.147
  355    H    ALA  50           HN       ALA  50  -2.316  -4.482   5.480
  356    HA   ALA  50           HA       ALA  50  -4.860  -4.775   6.520
  357    HB1  ALA  50           HB1      ALA  50  -2.262  -4.917   8.038
  358    HB2  ALA  50           HB2      ALA  50  -2.962  -6.221   7.076
  359    HB3  ALA  50           HB3      ALA  50  -3.794  -5.645   8.521
  360    H    ARG  51           HN       ARG  51  -2.490  -2.318   7.189
  361    HA   ARG  51           HA       ARG  51  -3.704  -1.207   9.490
  362    HB2  ARG  51           HB2      ARG  51  -1.368  -0.829   8.904
  363    HB3  ARG  51           HB1      ARG  51  -1.856   0.021   7.449
  364    HG2  ARG  51           HG2      ARG  51  -2.781   1.811   8.739
  365    HG3  ARG  51           HG1      ARG  51  -2.505   0.924  10.241
  366    HD2  ARG  51           HD2      ARG  51  -0.097   0.953   9.785
  367    HD3  ARG  51           HD1      ARG  51  -0.399   1.898   8.328
  368    HE   ARG  51           HE       ARG  51  -1.085   3.688   9.633
  369   HH11  ARG  51          HH11      ARG  51   0.050   0.979  11.600
  370   HH12  ARG  51          HH12      ARG  51   0.650   1.906  12.883
  371   HH21  ARG  51          HH21      ARG  51  -0.369   5.032  11.521
  372   HH22  ARG  51          HH22      ARG  51   0.377   4.269  12.855
  373    H    LEU  52           HN       LEU  52  -4.013  -0.617   6.070
  374    HA   LEU  52           HA       LEU  52  -5.663   1.687   6.420
  375    HB2  LEU  52           HB2      LEU  52  -5.106   0.047   3.958
  376    HB3  LEU  52           HB1      LEU  52  -5.962   1.578   3.981
  377    HG   LEU  52           HG       LEU  52  -3.075   1.173   4.756
  378   HD11  LEU  52          HD11      LEU  52  -2.589   2.446   2.746
  379   HD12  LEU  52          HD12      LEU  52  -4.309   2.490   2.356
  380   HD13  LEU  52          HD13      LEU  52  -3.445   0.950   2.374
  381   HD21  LEU  52          HD21      LEU  52  -2.979   3.619   4.868
  382   HD22  LEU  52          HD22      LEU  52  -4.118   2.969   6.047
  383   HD23  LEU  52          HD23      LEU  52  -4.713   3.703   4.558
  384    H    GLU  53           HN       GLU  53  -6.175  -1.750   5.757
  385    HA   GLU  53           HA       GLU  53  -8.810  -1.812   5.179
  386    HB2  GLU  53           HB2      GLU  53  -7.381  -3.695   7.037
  387    HB3  GLU  53           HB1      GLU  53  -8.913  -4.006   6.249
  388    HG2  GLU  53           HG2      GLU  53  -7.704  -3.794   4.072
  389    HG3  GLU  53           HG1      GLU  53  -6.217  -3.725   5.003
  390    H    SER  54           HN       SER  54  -7.353  -1.886   8.421
  391    HA   SER  54           HA       SER  54  -9.778  -1.963   9.842
  392    HB2  SER  54           HB2      SER  54  -7.078  -1.014  10.792
  393    HB3  SER  54           HB1      SER  54  -8.406  -1.605  11.797
  394    HG   SER  54           HG       SER  54  -8.084  -3.496  10.106
  395    H    ARG  55           HN       ARG  55  -7.875   0.690   8.609
  396    HA   ARG  55           HA       ARG  55  -9.208   2.668  10.211
  397    HB2  ARG  55           HB2      ARG  55  -6.853   2.938   9.336
  398    HB3  ARG  55           HB1      ARG  55  -7.507   3.085   7.724
  399    HG2  ARG  55           HG2      ARG  55  -8.037   5.038   9.993
  400    HG3  ARG  55           HG1      ARG  55  -6.831   5.263   8.731
  401    HD2  ARG  55           HD2      ARG  55  -8.690   5.176   7.060
  402    HD3  ARG  55           HD1      ARG  55  -9.825   5.118   8.399
  403    HE   ARG  55           HE       ARG  55  -7.983   7.374   8.217
  404   HH11  ARG  55          HH11      ARG  55 -11.341   6.135   7.914
  405   HH12  ARG  55          HH12      ARG  55 -12.023   7.671   7.788
  406   HH21  ARG  55          HH21      ARG  55  -8.954   9.442   7.850
  407   HH22  ARG  55          HH22      ARG  55 -10.654   9.615   7.702
  408    H    TYR  56           HN       TYR  56  -9.359   1.706   6.761
  409    HA   TYR  56           HA       TYR  56 -11.541   3.575   6.393
  410    HB2  TYR  56           HB2      TYR  56  -9.929   1.976   4.412
  411    HB3  TYR  56           HB1      TYR  56 -11.289   3.010   3.969
  412    HD1  TYR  56           HD2      TYR  56 -11.151   5.443   4.291
  413    HD2  TYR  56           HD1      TYR  56  -7.796   2.927   5.010
  414    HE1  TYR  56           HE2      TYR  56  -9.684   7.413   4.300
  415    HE2  TYR  56           HE1      TYR  56  -6.324   4.893   5.035
  416    HH   TYR  56           HH       TYR  56  -6.346   7.282   4.129
  417    H    GLY  57           HN       GLY  57 -11.428   0.493   7.390
  418    HA2  GLY  57           HA2      GLY  57 -13.103  -1.036   7.721
  419    HA3  GLY  57           HA1      GLY  57 -14.227   0.170   7.110
  420    H    VAL  58           HN       VAL  58 -11.533  -1.617   5.699
  421    HA   VAL  58           HA       VAL  58 -13.380  -2.606   3.668
  422    HB   VAL  58           HB       VAL  58 -11.619  -2.394   1.912
  423   HG11  VAL  58          HG11      VAL  58 -13.323  -0.656   2.119
  424   HG12  VAL  58          HG12      VAL  58 -11.765   0.012   1.598
  425   HG13  VAL  58          HG13      VAL  58 -12.284   0.193   3.272
  426   HG21  VAL  58          HG21      VAL  58  -9.680  -0.965   2.296
  427   HG22  VAL  58          HG22      VAL  58  -9.652  -2.378   3.348
  428   HG23  VAL  58          HG23      VAL  58 -10.143  -0.794   3.988
  429    H    SER  59           HN       SER  59 -12.172  -4.395   2.321
  430    HA   SER  59           HA       SER  59 -10.518  -6.013   4.096
  431    HB2  SER  59           HB2      SER  59 -12.845  -6.783   4.371
  432    HB3  SER  59           HB1      SER  59 -12.996  -6.972   2.628
  433    HG   SER  59           HG       SER  59 -11.699  -8.579   4.505
  434    H    ILE  60           HN       ILE  60  -8.704  -6.226   3.005
  435    HA   ILE  60           HA       ILE  60  -8.795  -6.480   0.095
  436    HB   ILE  60           HB       ILE  60  -6.727  -5.383   1.972
  437   HG12  ILE  60          HG12      ILE  60  -6.370  -3.763   0.120
  438   HG13  ILE  60          HG11      ILE  60  -7.602  -4.608  -0.801
  439   HG21  ILE  60          HG21      ILE  60  -5.438  -7.143   0.952
  440   HG22  ILE  60          HG22      ILE  60  -4.926  -5.549   0.373
  441   HG23  ILE  60          HG23      ILE  60  -5.928  -6.580  -0.653
  442   HD11  ILE  60          HD11      ILE  60  -9.232  -4.046   0.884
  443   HD12  ILE  60          HD12      ILE  60  -8.437  -2.609   0.208
  444   HD13  ILE  60          HD13      ILE  60  -7.970  -3.218   1.808
  445    HA   PRO  61           HA       PRO  61  -7.929 -10.791   0.505
  446    HB2  PRO  61           HB2      PRO  61  -6.811 -10.553  -2.216
  447    HB3  PRO  61           HB1      PRO  61  -8.150 -11.552  -1.646
  448    HG2  PRO  61           HG2      PRO  61  -8.568  -9.401  -3.181
  449    HG3  PRO  61           HG1      PRO  61  -9.691  -9.846  -1.880
  450    HD2  PRO  61           HD2      PRO  61  -7.574  -7.735  -1.918
  451    HD3  PRO  61           HD1      PRO  61  -9.220  -7.670  -1.251
  452    H    ASP  62           HN       ASP  62  -6.296 -11.574   1.477
  453    HA   ASP  62           HA       ASP  62  -3.914 -10.451   2.126
  454    HB2  ASP  62           HB2      ASP  62  -4.706 -13.329   1.960
  455    HB3  ASP  62           HB1      ASP  62  -3.115 -12.852   2.518
  456    H    ASP  63           HN       ASP  63  -4.152 -13.074  -0.279
  457    HA   ASP  63           HA       ASP  63  -1.368 -12.923  -0.840
  458    HB2  ASP  63           HB2      ASP  63  -2.653 -15.001  -1.187
  459    HB3  ASP  63           HB1      ASP  63  -3.514 -14.239  -2.518
  460    H    VAL  64           HN       VAL  64  -4.166 -11.549  -2.293
  461    HA   VAL  64           HA       VAL  64  -3.065 -10.604  -4.703
  462    HB   VAL  64           HB       VAL  64  -5.326  -9.415  -3.061
  463   HG11  VAL  64          HG11      VAL  64  -4.456  -7.768  -4.655
  464   HG12  VAL  64          HG12      VAL  64  -6.051  -8.337  -5.148
  465   HG13  VAL  64          HG13      VAL  64  -4.607  -8.944  -5.959
  466   HG21  VAL  64          HG21      VAL  64  -6.767 -10.622  -4.631
  467   HG22  VAL  64          HG22      VAL  64  -5.721 -11.711  -3.719
  468   HG23  VAL  64          HG23      VAL  64  -5.335 -11.315  -5.394
  469    H    ALA  65           HN       ALA  65  -3.133  -9.198  -1.467
  470    HA   ALA  65           HA       ALA  65  -2.111  -6.655  -2.135
  471    HB1  ALA  65           HB1      ALA  65  -1.848  -8.160   0.464
  472    HB2  ALA  65           HB2      ALA  65  -3.210  -7.127   0.007
  473    HB3  ALA  65           HB3      ALA  65  -1.606  -6.428   0.239
  474    H    GLY  66           HN       GLY  66  -0.595  -9.732  -1.672
  475    HA2  GLY  66           HA2      GLY  66   2.057  -8.507  -1.608
  476    HA3  GLY  66           HA1      GLY  66   1.696 -10.207  -1.337
  477    H    ARG  67           HN       ARG  67  -0.105  -9.481  -3.911
  478    HA   ARG  67           HA       ARG  67   1.917 -10.538  -5.747
  479    HB2  ARG  67           HB2      ARG  67  -1.084 -10.454  -5.927
  480    HB3  ARG  67           HB1      ARG  67  -0.063 -10.946  -7.258
  481    HG2  ARG  67           HG2      ARG  67  -0.207 -12.308  -4.574
  482    HG3  ARG  67           HG1      ARG  67  -1.043 -12.831  -6.033
  483    HD2  ARG  67           HD2      ARG  67   0.860 -14.190  -5.892
  484    HD3  ARG  67           HD1      ARG  67   1.253 -12.980  -7.106
  485    HE   ARG  67           HE       ARG  67   2.180 -12.781  -4.313
  486   HH11  ARG  67          HH11      ARG  67   2.823 -12.639  -7.798
  487   HH12  ARG  67          HH12      ARG  67   4.492 -12.294  -7.601
  488   HH21  ARG  67          HH21      ARG  67   4.527 -12.375  -4.062
  489   HH22  ARG  67          HH22      ARG  67   5.448 -12.188  -5.476
  490    H    VAL  68           HN       VAL  68   1.073  -7.610  -4.905
  491    HA   VAL  68           HA       VAL  68   0.717  -6.549  -7.562
  492    HB   VAL  68           HB       VAL  68   0.761  -4.277  -6.502
  493   HG11  VAL  68          HG11      VAL  68  -1.371  -4.489  -5.303
  494   HG12  VAL  68          HG12      VAL  68  -1.146  -6.237  -5.226
  495   HG13  VAL  68          HG13      VAL  68  -1.362  -5.444  -6.786
  496   HG21  VAL  68          HG21      VAL  68   2.232  -4.777  -4.620
  497   HG22  VAL  68          HG22      VAL  68   1.006  -5.840  -3.932
  498   HG23  VAL  68          HG23      VAL  68   0.702  -4.107  -4.052
  499    H    ASP  69           HN       ASP  69   2.200  -4.607  -8.162
  500    HA   ASP  69           HA       ASP  69   4.968  -5.414  -7.593
  501    HB2  ASP  69           HB2      ASP  69   4.445  -6.272  -9.753
  502    HB3  ASP  69           HB1      ASP  69   3.677  -4.770 -10.238
  503    H    THR  70           HN       THR  70   2.891  -2.844  -8.773
  504    HA   THR  70           HA       THR  70   4.898  -0.909  -7.857
  505    HB   THR  70           HB       THR  70   3.747   0.693  -9.400
  506    HG1  THR  70           HG1      THR  70   2.257  -1.660 -10.046
  507   HG21  THR  70          HG21      THR  70   4.682  -1.866 -10.708
  508   HG22  THR  70          HG22      THR  70   5.717  -0.547 -10.164
  509   HG23  THR  70          HG23      THR  70   4.584  -0.287 -11.491
  510    HA   PRO  71           HA       PRO  71   2.153   0.496  -4.573
  511    HB2  PRO  71           HB2      PRO  71   3.036   3.225  -5.409
  512    HB3  PRO  71           HB1      PRO  71   3.048   2.484  -3.800
  513    HG2  PRO  71           HG2      PRO  71   5.305   2.738  -5.131
  514    HG3  PRO  71           HG1      PRO  71   4.961   1.231  -4.256
  515    HD2  PRO  71           HD2      PRO  71   4.746   1.814  -7.185
  516    HD3  PRO  71           HD1      PRO  71   5.401   0.377  -6.373
  517    H    ARG  72           HN       ARG  72   2.139   1.929  -7.722
  518    HA   ARG  72           HA       ARG  72  -0.256   3.349  -7.804
  519    HB2  ARG  72           HB2      ARG  72   1.350   3.137  -9.693
  520    HB3  ARG  72           HB1      ARG  72   0.797   1.491  -9.949
  521    HG2  ARG  72           HG2      ARG  72  -1.474   2.391 -10.428
  522    HG3  ARG  72           HG1      ARG  72  -0.804   4.019 -10.310
  523    HD2  ARG  72           HD2      ARG  72   0.038   1.876 -12.261
  524    HD3  ARG  72           HD1      ARG  72  -0.931   3.300 -12.634
  525    HE   ARG  72           HE       ARG  72   1.296   4.390 -11.632
  526   HH11  ARG  72          HH11      ARG  72   0.719   2.081 -14.268
  527   HH12  ARG  72          HH12      ARG  72   2.214   2.304 -15.019
  528   HH21  ARG  72          HH21      ARG  72   3.328   4.809 -12.704
  529   HH22  ARG  72          HH22      ARG  72   3.779   3.934 -14.099
  530    H    GLU  73           HN       GLU  73   0.277  -0.122  -8.194
  531    HA   GLU  73           HA       GLU  73  -2.442  -0.808  -8.724
  532    HB2  GLU  73           HB2      GLU  73  -0.137  -2.502  -7.814
  533    HB3  GLU  73           HB1      GLU  73  -1.664  -3.094  -8.451
  534    HG2  GLU  73           HG2      GLU  73  -1.213  -2.183 -10.584
  535    HG3  GLU  73           HG1      GLU  73   0.204  -1.322  -9.971
  536    H    LEU  74           HN       LEU  74  -0.351  -0.898  -5.902
  537    HA   LEU  74           HA       LEU  74  -2.135  -2.226  -4.159
  538    HB2  LEU  74           HB2      LEU  74   0.372  -1.826  -3.853
  539    HB3  LEU  74           HB1      LEU  74  -0.017  -0.192  -3.389
  540    HG   LEU  74           HG       LEU  74   0.540  -1.693  -1.488
  541   HD11  LEU  74          HD11      LEU  74  -2.269  -0.630  -1.395
  542   HD12  LEU  74          HD12      LEU  74  -0.795   0.263  -1.023
  543   HD13  LEU  74          HD13      LEU  74  -1.290  -1.086   0.001
  544   HD21  LEU  74          HD21      LEU  74  -2.020  -3.104  -2.218
  545   HD22  LEU  74          HD22      LEU  74  -1.078  -3.379  -0.751
  546   HD23  LEU  74          HD23      LEU  74  -0.388  -3.763  -2.327
  547    H    LEU  75           HN       LEU  75  -1.590   1.170  -4.901
  548    HA   LEU  75           HA       LEU  75  -3.437   2.306  -3.126
  549    HB2  LEU  75           HB2      LEU  75  -1.688   3.545  -4.347
  550    HB3  LEU  75           HB1      LEU  75  -2.546   3.265  -5.845
  551    HG   LEU  75           HG       LEU  75  -4.422   4.630  -5.032
  552   HD11  LEU  75          HD11      LEU  75  -4.188   4.208  -2.668
  553   HD12  LEU  75          HD12      LEU  75  -4.169   5.940  -2.992
  554   HD13  LEU  75          HD13      LEU  75  -2.661   5.090  -2.634
  555   HD21  LEU  75          HD21      LEU  75  -2.642   5.683  -6.320
  556   HD22  LEU  75          HD22      LEU  75  -1.740   5.991  -4.838
  557   HD23  LEU  75          HD23      LEU  75  -3.288   6.792  -5.112
  558    H    ASP  76           HN       ASP  76  -3.705   1.481  -6.563
  559    HA   ASP  76           HA       ASP  76  -6.385   2.147  -6.931
  560    HB2  ASP  76           HB2      ASP  76  -4.789   1.696  -8.772
  561    HB3  ASP  76           HB1      ASP  76  -4.833  -0.016  -8.372
  562    H    LEU  77           HN       LEU  77  -4.942  -0.868  -5.851
  563    HA   LEU  77           HA       LEU  77  -7.164  -2.531  -5.808
  564    HB2  LEU  77           HB2      LEU  77  -4.899  -3.328  -5.393
  565    HB3  LEU  77           HB1      LEU  77  -4.825  -2.419  -3.903
  566    HG   LEU  77           HG       LEU  77  -6.593  -3.881  -2.962
  567   HD11  LEU  77          HD11      LEU  77  -6.247  -5.433  -5.523
  568   HD12  LEU  77          HD12      LEU  77  -7.687  -4.545  -5.031
  569   HD13  LEU  77          HD13      LEU  77  -7.168  -5.959  -4.113
  570   HD21  LEU  77          HD21      LEU  77  -4.240  -4.351  -2.548
  571   HD22  LEU  77          HD22      LEU  77  -4.157  -5.313  -4.023
  572   HD23  LEU  77          HD23      LEU  77  -5.164  -5.848  -2.678
  573    H    ILE  78           HN       ILE  78  -5.899  -0.557  -3.106
  574    HA   ILE  78           HA       ILE  78  -8.199  -1.176  -1.545
  575    HB   ILE  78           HB       ILE  78  -6.111   0.968  -0.989
  576   HG12  ILE  78          HG12      ILE  78  -6.363  -1.900  -0.036
  577   HG13  ILE  78          HG11      ILE  78  -5.116  -1.255  -1.094
  578   HG21  ILE  78          HG21      ILE  78  -8.201  -0.251   0.839
  579   HG22  ILE  78          HG22      ILE  78  -8.173   1.410   0.227
  580   HG23  ILE  78          HG23      ILE  78  -6.925   0.865   1.338
  581   HD11  ILE  78          HD11      ILE  78  -5.538  -0.573   1.811
  582   HD12  ILE  78          HD12      ILE  78  -4.294   0.128   0.775
  583   HD13  ILE  78          HD13      ILE  78  -4.255  -1.589   1.155
  584    H    ASN  79           HN       ASN  79  -7.337   1.462  -3.670
  585    HA   ASN  79           HA       ASN  79  -9.481   3.185  -2.961
  586    HB2  ASN  79           HB2      ASN  79  -7.865   2.948  -5.490
  587    HB3  ASN  79           HB1      ASN  79  -9.275   3.988  -5.433
  588   HD21  ASN  79          HD21      ASN  79  -7.143   3.536  -2.697
  589   HD22  ASN  79          HD22      ASN  79  -6.457   5.130  -2.776
  590    H    GLY  80           HN       GLY  80  -9.226   0.464  -5.088
  591    HA2  GLY  80           HA2      GLY  80 -11.744   0.688  -6.345
  592    HA3  GLY  80           HA1      GLY  80 -10.834  -0.805  -6.142
  593    H    ALA  81           HN       ALA  81 -10.727  -0.954  -3.410
  594    HA   ALA  81           HA       ALA  81 -13.245  -2.042  -2.730
  595    HB1  ALA  81           HB1      ALA  81 -12.286  -2.366  -0.497
  596    HB2  ALA  81           HB2      ALA  81 -10.949  -1.296  -0.911
  597    HB3  ALA  81           HB3      ALA  81 -11.136  -2.834  -1.749
  598    H    LEU  82           HN       LEU  82 -11.831   1.067  -2.294
  599    HA   LEU  82           HA       LEU  82 -13.861   2.039  -0.488
  600    HB2  LEU  82           HB2      LEU  82 -11.635   3.423  -1.982
  601    HB3  LEU  82           HB1      LEU  82 -12.705   4.226  -0.848
  602    HG   LEU  82           HG       LEU  82 -10.912   1.920  -0.094
  603   HD11  LEU  82          HD11      LEU  82 -10.463   4.879   0.261
  604   HD12  LEU  82          HD12      LEU  82  -9.562   3.817  -0.822
  605   HD13  LEU  82          HD13      LEU  82  -9.454   3.592   0.924
  606   HD21  LEU  82          HD21      LEU  82 -12.436   3.941   1.541
  607   HD22  LEU  82          HD22      LEU  82 -11.362   2.695   2.176
  608   HD23  LEU  82          HD23      LEU  82 -12.850   2.236   1.343
  609    H    ALA  83           HN       ALA  83 -13.254   1.983  -3.898
  610    HA   ALA  83           HA       ALA  83 -15.041   4.046  -4.669
  611    HB1  ALA  83           HB1      ALA  83 -14.002   1.739  -6.312
  612    HB2  ALA  83           HB2      ALA  83 -13.197   3.294  -6.099
  613    HB3  ALA  83           HB3      ALA  83 -14.748   3.210  -6.938
  614    H    GLU  84           HN       GLU  84 -15.488   0.777  -3.810
  615    HA   GLU  84           HA       GLU  84 -18.201   0.784  -4.881
  616    HB2  GLU  84           HB2      GLU  84 -18.284  -1.583  -4.095
  617    HB3  GLU  84           HB1      GLU  84 -17.014  -1.274  -5.268
  618    HG2  GLU  84           HG2      GLU  84 -15.357  -1.241  -3.512
  619    HG3  GLU  84           HG1      GLU  84 -16.614  -1.432  -2.293
  620    H    ALA  85           HN       ALA  85 -16.827   2.099  -2.340
  621    HA   ALA  85           HA       ALA  85 -18.950   1.372  -0.460
  622    HB1  ALA  85           HB1      ALA  85 -16.687   0.976   0.402
  623    HB2  ALA  85           HB2      ALA  85 -17.479   2.276   1.294
  624    HB3  ALA  85           HB3      ALA  85 -16.262   2.655   0.073
  625    H    ALA  86           HN       ALA  86 -19.463   3.368   0.994
  626    HA   ALA  86           HA       ALA  86 -19.375   5.853  -0.502
  627    HB1  ALA  86           HB1      ALA  86 -21.931   4.619   0.552
  628    HB2  ALA  86           HB2      ALA  86 -21.497   4.784  -1.151
  629    HB3  ALA  86           HB3      ALA  86 -21.785   6.222  -0.169
  630    H28  SXD  87          H28B      SXD  87   4.282 -12.853   1.468
  631   H28A  SXD  87          H28A      SXD  87   5.343 -14.245   1.279
  632    H30  SXD  87          H30A      SXD  87   2.901 -13.320   3.029
  633   H30A  SXD  87          H30C      SXD  87   2.161 -14.882   3.309
  634   H30B  SXD  87          H30B      SXD  87   3.906 -14.687   3.522
  635    H31  SXD  87          H31A      SXD  87   1.702 -13.383   0.850
  636   H31A  SXD  87          H31C      SXD  87   2.156 -14.579  -0.366
  637   H31B  SXD  87          H31B      SXD  87   1.180 -15.061   1.022
  638    H32  SXD  87          H32A      SXD  87   4.466 -16.540   1.890
  639   HO33  SXD  87          H33A      SXD  87   3.354 -17.155  -0.393
  640   HN36  SXD  87          H36A      SXD  87   2.150 -16.454   3.292
  641    H37  SXD  87          H37B      SXD  87   1.090 -18.826   3.653
  642   H37A  SXD  87          H37A      SXD  87   0.144 -18.283   2.266
  643    H38  SXD  87          H38A      SXD  87  -0.572 -16.300   3.524
  644   H38A  SXD  87          H38B      SXD  87  -1.016 -17.782   4.372
  645   HN41  SXD  87          H41A      SXD  87  -0.716 -15.118   5.440
  646    H42  SXD  87          H42B      SXD  87   1.661 -14.658   6.800
  647   H42A  SXD  87          H42A      SXD  87   0.643 -15.655   7.833
  648    H43  SXD  87          H43B      SXD  87  -0.132 -13.006   6.644
  649   H43A  SXD  87          H43A      SXD  87  -1.131 -14.004   7.704
  650    H1   SXD  87           H1A      SXD  87  -1.556 -12.094   9.383
  651    H1A  SXD  87           H1B      SXD  87  -0.601 -10.971   8.393
  652    H2   SXD  87           H2A      SXD  87   0.680 -10.416  10.422
  653    H2A  SXD  87           H2B      SXD  87  -0.251 -11.603  11.329
  654    H4   SXD  87           H4B      SXD  87  -3.397  -9.649  10.398
  655    H4A  SXD  87           H4A      SXD  87  -2.831 -11.299  10.648
  656    H6   SXD  87           H6C      SXD  87  -3.211 -11.800  13.894
  657    H6A  SXD  87           H6A      SXD  87  -3.682 -12.352  12.283
  658    H6B  SXD  87           H6B      SXD  87  -4.834 -11.456  13.284
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -18.208  10.218  -5.359
    2    H2   MET   1           HT2      MET   1 -17.176   8.914  -5.654
    3    H3   MET   1           HT3      MET   1 -16.917  10.368  -6.469
    4    HA   MET   1           HA       MET   1 -15.322  10.053  -4.748
    5    HB2  MET   1           HB2      MET   1 -17.398  12.115  -3.962
    6    HB3  MET   1           HB1      MET   1 -15.773  12.042  -3.304
    7    HG2  MET   1           HG2      MET   1 -16.508  12.560  -6.175
    8    HG3  MET   1           HG1      MET   1 -15.985  13.763  -5.000
    9    HE1  MET   1           HE1      MET   1 -14.653  13.523  -7.834
   10    HE2  MET   1           HE2      MET   1 -12.941  13.627  -7.431
   11    HE3  MET   1           HE3      MET   1 -14.105  14.662  -6.605
   12    H    ALA   2           HN       ALA   2 -14.800   9.576  -2.659
   13    HA   ALA   2           HA       ALA   2 -16.756   8.730  -0.730
   14    HB1  ALA   2           HB1      ALA   2 -14.962   6.734  -2.148
   15    HB2  ALA   2           HB2      ALA   2 -16.720   6.785  -2.235
   16    HB3  ALA   2           HB3      ALA   2 -15.927   6.379  -0.715
   17    H    THR   3           HN       THR   3 -14.751   7.059   0.661
   18    HA   THR   3           HA       THR   3 -12.829   9.178   1.277
   19    HB   THR   3           HB       THR   3 -13.359   6.597   2.707
   20    HG1  THR   3           HG1      THR   3 -15.076   8.402   2.405
   21   HG21  THR   3          HG21      THR   3 -12.343   7.779   4.622
   22   HG22  THR   3          HG22      THR   3 -12.107   9.200   3.606
   23   HG23  THR   3          HG23      THR   3 -11.235   7.708   3.250
   24    H    LEU   4           HN       LEU   4 -11.106   8.971  -0.041
   25    HA   LEU   4           HA       LEU   4 -10.204   6.264  -0.761
   26    HB2  LEU   4           HB2      LEU   4  -9.887   8.840  -2.305
   27    HB3  LEU   4           HB1      LEU   4  -9.261   7.281  -2.790
   28    HG   LEU   4           HG       LEU   4 -12.186   8.007  -2.561
   29   HD11  LEU   4          HD11      LEU   4 -12.180   7.848  -5.001
   30   HD12  LEU   4          HD12      LEU   4 -10.436   7.580  -4.976
   31   HD13  LEU   4          HD13      LEU   4 -11.099   9.119  -4.428
   32   HD21  LEU   4          HD21      LEU   4 -10.850   5.494  -3.563
   33   HD22  LEU   4          HD22      LEU   4 -12.574   5.847  -3.657
   34   HD23  LEU   4          HD23      LEU   4 -11.799   5.652  -2.084
   35    H    LEU   5           HN       LEU   5  -7.909   6.103  -1.184
   36    HA   LEU   5           HA       LEU   5  -6.306   7.415   0.832
   37    HB2  LEU   5           HB2      LEU   5  -5.594   5.459  -1.352
   38    HB3  LEU   5           HB1      LEU   5  -4.501   6.017  -0.101
   39    HG   LEU   5           HG       LEU   5  -6.970   4.348   0.309
   40   HD11  LEU   5          HD11      LEU   5  -4.039   3.657   0.353
   41   HD12  LEU   5          HD12      LEU   5  -5.203   3.185  -0.890
   42   HD13  LEU   5          HD13      LEU   5  -5.371   2.573   0.756
   43   HD21  LEU   5          HD21      LEU   5  -4.777   5.165   2.210
   44   HD22  LEU   5          HD22      LEU   5  -6.105   4.063   2.571
   45   HD23  LEU   5          HD23      LEU   5  -6.435   5.763   2.234
   46    H    THR   6           HN       THR   6  -5.120   9.192   0.407
   47    HA   THR   6           HA       THR   6  -4.894  10.071  -2.337
   48    HB   THR   6           HB       THR   6  -3.759  12.058  -1.351
   49    HG1  THR   6           HG1      THR   6  -4.306  10.793   1.154
   50   HG21  THR   6          HG21      THR   6  -6.351  11.341   0.048
   51   HG22  THR   6          HG22      THR   6  -6.213  12.086  -1.543
   52   HG23  THR   6          HG23      THR   6  -5.686  12.968  -0.109
   53    H    THR   7           HN       THR   7  -2.386  11.146  -2.479
   54    HA   THR   7           HA       THR   7  -0.715   8.889  -2.698
   55    HB   THR   7           HB       THR   7   1.054  10.715  -3.036
   56    HG1  THR   7           HG1      THR   7   0.444  12.741  -2.999
   57   HG21  THR   7          HG21      THR   7  -0.070   9.589  -4.908
   58   HG22  THR   7          HG22      THR   7   0.182  11.299  -5.270
   59   HG23  THR   7          HG23      THR   7  -1.415  10.726  -4.790
   60    H    ASP   8           HN       ASP   8  -1.291  11.292  -0.316
   61    HA   ASP   8           HA       ASP   8   1.052  10.853   1.242
   62    HB2  ASP   8           HB2      ASP   8  -1.538  12.166   2.058
   63    HB3  ASP   8           HB1      ASP   8  -0.038  12.209   2.975
   64    H    ASP   9           HN       ASP   9  -2.229   9.678   1.391
   65    HA   ASP   9           HA       ASP   9  -2.038   8.225   3.812
   66    HB2  ASP   9           HB2      ASP   9  -3.679   7.618   1.344
   67    HB3  ASP   9           HB1      ASP   9  -3.804   6.717   2.846
   68    H    LEU  10           HN       LEU  10  -1.339   7.371   0.503
   69    HA   LEU  10           HA       LEU  10  -0.664   4.685   1.033
   70    HB2  LEU  10           HB2      LEU  10  -1.375   5.587  -1.178
   71    HB3  LEU  10           HB1      LEU  10   0.172   6.398  -1.303
   72    HG   LEU  10           HG       LEU  10   1.300   4.191  -1.261
   73   HD11  LEU  10          HD11      LEU  10  -0.390   2.935  -0.050
   74   HD12  LEU  10          HD12      LEU  10  -0.038   2.173  -1.603
   75   HD13  LEU  10          HD13      LEU  10  -1.511   3.118  -1.398
   76   HD21  LEU  10          HD21      LEU  10   0.793   5.286  -3.380
   77   HD22  LEU  10          HD22      LEU  10  -0.802   4.534  -3.389
   78   HD23  LEU  10          HD23      LEU  10   0.643   3.532  -3.526
   79    H    ARG  11           HN       ARG  11   1.322   7.621   0.526
   80    HA   ARG  11           HA       ARG  11   3.791   6.336   0.682
   81    HB2  ARG  11           HB2      ARG  11   4.829   8.522   1.095
   82    HB3  ARG  11           HB1      ARG  11   3.631   8.623  -0.180
   83    HG2  ARG  11           HG2      ARG  11   2.043   9.585   1.441
   84    HG3  ARG  11           HG1      ARG  11   3.308   9.533   2.667
   85    HD2  ARG  11           HD2      ARG  11   3.519  11.034   0.064
   86    HD3  ARG  11           HD1      ARG  11   2.991  11.769   1.568
   87    HE   ARG  11           HE       ARG  11   5.540  10.455   1.728
   88   HH11  ARG  11          HH11      ARG  11   3.838  13.484   1.118
   89   HH12  ARG  11          HH12      ARG  11   5.223  14.472   1.208
   90   HH21  ARG  11          HH21      ARG  11   7.523  11.836   1.864
   91   HH22  ARG  11          HH22      ARG  11   7.346  13.502   1.641
   92    H    ARG  12           HN       ARG  12   1.840   7.685   3.321
   93    HA   ARG  12           HA       ARG  12   3.800   7.408   5.329
   94    HB2  ARG  12           HB2      ARG  12   0.796   7.260   5.653
   95    HB3  ARG  12           HB1      ARG  12   1.930   7.426   6.968
   96    HG2  ARG  12           HG2      ARG  12   2.688   9.583   5.968
   97    HG3  ARG  12           HG1      ARG  12   1.391   9.421   4.783
   98    HD2  ARG  12           HD2      ARG  12   1.077   9.609   7.780
   99    HD3  ARG  12           HD1      ARG  12   0.717  10.877   6.617
  100    HE   ARG  12           HE       ARG  12  -0.761   8.446   6.160
  101   HH11  ARG  12          HH11      ARG  12  -0.766  11.544   7.911
  102   HH12  ARG  12          HH12      ARG  12  -2.442  11.487   8.239
  103   HH21  ARG  12          HH21      ARG  12  -3.005   8.395   6.607
  104   HH22  ARG  12          HH22      ARG  12  -3.755   9.667   7.488
  105    H    ALA  13           HN       ALA  13   1.465   5.153   4.056
  106    HA   ALA  13           HA       ALA  13   1.870   3.152   6.007
  107    HB1  ALA  13           HB1      ALA  13   0.837   2.885   3.179
  108    HB2  ALA  13           HB2      ALA  13  -0.136   3.248   4.605
  109    HB3  ALA  13           HB3      ALA  13   0.668   1.687   4.466
  110    H    LEU  14           HN       LEU  14   3.146   3.546   2.665
  111    HA   LEU  14           HA       LEU  14   4.885   1.415   2.742
  112    HB2  LEU  14           HB2      LEU  14   4.765   3.926   1.147
  113    HB3  LEU  14           HB1      LEU  14   6.163   2.885   1.013
  114    HG   LEU  14           HG       LEU  14   4.667   1.040   0.362
  115   HD11  LEU  14          HD11      LEU  14   2.586   1.725   1.306
  116   HD12  LEU  14          HD12      LEU  14   2.426   1.461  -0.428
  117   HD13  LEU  14          HD13      LEU  14   2.508   3.107   0.207
  118   HD21  LEU  14          HD21      LEU  14   5.873   2.293  -1.307
  119   HD22  LEU  14          HD22      LEU  14   4.579   3.486  -1.381
  120   HD23  LEU  14          HD23      LEU  14   4.289   1.835  -1.929
  121    H    VAL  15           HN       VAL  15   5.182   4.414   4.336
  122    HA   VAL  15           HA       VAL  15   8.018   4.171   4.787
  123    HB   VAL  15           HB       VAL  15   5.951   5.772   6.356
  124   HG11  VAL  15          HG11      VAL  15   8.967   5.955   6.373
  125   HG12  VAL  15          HG12      VAL  15   7.957   5.332   7.677
  126   HG13  VAL  15          HG13      VAL  15   7.868   7.038   7.229
  127   HG21  VAL  15          HG21      VAL  15   7.867   6.668   4.206
  128   HG22  VAL  15          HG22      VAL  15   6.811   7.719   5.147
  129   HG23  VAL  15          HG23      VAL  15   6.116   6.531   4.045
  130    H    GLU  16           HN       GLU  16   5.167   3.896   6.888
  131    HA   GLU  16           HA       GLU  16   6.587   2.988   9.094
  132    HB2  GLU  16           HB2      GLU  16   4.453   2.714  10.200
  133    HB3  GLU  16           HB1      GLU  16   4.513   4.154   9.195
  134    HG2  GLU  16           HG2      GLU  16   2.402   3.423   8.739
  135    HG3  GLU  16           HG1      GLU  16   3.352   2.680   7.449
  136    H    SER  17           HN       SER  17   5.048   1.142   6.618
  137    HA   SER  17           HA       SER  17   5.177  -1.347   7.961
  138    HB2  SER  17           HB2      SER  17   5.143  -0.846   4.975
  139    HB3  SER  17           HB1      SER  17   4.820  -2.392   5.757
  140    HG   SER  17           HG       SER  17   3.270  -0.391   6.790
  141    H    ALA  18           HN       ALA  18   7.538   0.399   6.082
  142    HA   ALA  18           HA       ALA  18   9.398  -1.852   6.055
  143    HB1  ALA  18           HB1      ALA  18   9.790   0.974   5.080
  144    HB2  ALA  18           HB2      ALA  18   9.267  -0.385   4.084
  145    HB3  ALA  18           HB3      ALA  18  10.877  -0.388   4.803
  146    H    GLY  19           HN       GLY  19   8.937   1.195   7.642
  147    HA2  GLY  19           HA2      GLY  19   9.793   0.790  10.050
  148    HA3  GLY  19           HA1      GLY  19  11.341   0.758   9.206
  149    H    GLU  20           HN       GLU  20  11.002   2.604  11.036
  150    HA   GLU  20           HA       GLU  20  10.192   5.029   9.643
  151    HB2  GLU  20           HB2      GLU  20  10.965   4.599  12.529
  152    HB3  GLU  20           HB1      GLU  20  10.459   6.136  11.837
  153    HG2  GLU  20           HG2      GLU  20   8.296   5.124  11.246
  154    HG3  GLU  20           HG1      GLU  20   8.810   3.633  12.029
  155    H    THR  21           HN       THR  21  11.640   5.955   8.471
  156    HA   THR  21           HA       THR  21  13.523   6.794   7.671
  157    HB   THR  21           HB       THR  21  14.755   6.348  10.418
  158    HG1  THR  21           HG1      THR  21  13.795   8.851   9.510
  159   HG21  THR  21          HG21      THR  21  15.515   8.229   8.168
  160   HG22  THR  21          HG22      THR  21  16.400   6.777   8.636
  161   HG23  THR  21          HG23      THR  21  16.302   8.147   9.743
  162    H    ASP  22           HN       ASP  22  13.217   4.676   6.597
  163    HA   ASP  22           HA       ASP  22  15.684   3.086   6.923
  164    HB2  ASP  22           HB2      ASP  22  13.561   1.813   7.346
  165    HB3  ASP  22           HB1      ASP  22  13.060   2.171   5.698
  166    H    GLY  23           HN       GLY  23  13.985   5.278   5.001
  167    HA2  GLY  23           HA2      GLY  23  15.129   6.209   3.096
  168    HA3  GLY  23           HA1      GLY  23  15.602   4.571   2.641
  169    H    THR  24           HN       THR  24  12.516   4.469   3.798
  170    HA   THR  24           HA       THR  24  11.534   4.412   1.088
  171    HB   THR  24           HB       THR  24   9.523   3.300   2.185
  172    HG1  THR  24           HG1      THR  24   9.579   2.836   4.206
  173   HG21  THR  24          HG21      THR  24  10.664   1.124   2.344
  174   HG22  THR  24          HG22      THR  24  12.222   1.952   2.392
  175   HG23  THR  24          HG23      THR  24  11.219   2.042   0.943
  176    H    ASP  25           HN       ASP  25  11.604   6.841   1.125
  177    HA   ASP  25           HA       ASP  25   9.051   7.757   2.235
  178    HB2  ASP  25           HB2      ASP  25  11.050   9.110   3.024
  179    HB3  ASP  25           HB1      ASP  25  11.282   9.612   1.345
  180    H    LEU  26           HN       LEU  26   7.606   8.701   0.867
  181    HA   LEU  26           HA       LEU  26   8.231   8.181  -1.916
  182    HB2  LEU  26           HB2      LEU  26   5.692   7.459  -0.444
  183    HB3  LEU  26           HB1      LEU  26   5.885   7.364  -2.173
  184    HG   LEU  26           HG       LEU  26   6.030   5.166  -1.351
  185   HD11  LEU  26          HD11      LEU  26   8.814   6.090  -1.923
  186   HD12  LEU  26          HD12      LEU  26   7.589   5.585  -3.089
  187   HD13  LEU  26          HD13      LEU  26   8.260   4.416  -1.953
  188   HD21  LEU  26          HD21      LEU  26   8.133   6.060   0.634
  189   HD22  LEU  26          HD22      LEU  26   7.621   4.401   0.372
  190   HD23  LEU  26          HD23      LEU  26   6.478   5.581   1.016
  191    H    SER  27           HN       SER  27   8.648  10.377  -1.910
  192    HA   SER  27           HA       SER  27   6.528  12.322  -1.509
  193    HB2  SER  27           HB2      SER  27   9.139  12.698  -2.830
  194    HB3  SER  27           HB1      SER  27   8.146  13.955  -2.099
  195    HG   SER  27           HG       SER  27   8.761  12.024  -0.245
  196    H    GLY  28           HN       GLY  28   5.130  12.940  -3.015
  197    HA2  GLY  28           HA2      GLY  28   4.100  13.447  -4.978
  198    HA3  GLY  28           HA1      GLY  28   5.708  13.687  -5.623
  199    H    ASP  29           HN       ASP  29   6.438  12.326  -7.078
  200    HA   ASP  29           HA       ASP  29   4.581  10.335  -8.083
  201    HB2  ASP  29           HB2      ASP  29   7.236  11.263  -9.207
  202    HB3  ASP  29           HB1      ASP  29   6.189  10.077  -9.969
  203    H    PHE  30           HN       PHE  30   4.606   8.476  -7.189
  204    HA   PHE  30           HA       PHE  30   7.133   7.045  -7.014
  205    HB2  PHE  30           HB2      PHE  30   6.685   6.232  -4.734
  206    HB3  PHE  30           HB1      PHE  30   6.875   7.976  -4.776
  207    HD1  PHE  30           HD2      PHE  30   4.925   9.429  -4.407
  208    HD2  PHE  30           HD1      PHE  30   4.635   5.203  -4.084
  209    HE1  PHE  30           HE2      PHE  30   2.813   9.673  -3.176
  210    HE2  PHE  30           HE1      PHE  30   2.532   5.442  -2.853
  211    HZ   PHE  30           HZ       PHE  30   1.615   7.676  -2.397
  212    H    LEU  31           HN       LEU  31   4.390   7.062  -8.441
  213    HA   LEU  31           HA       LEU  31   3.326   4.484  -7.664
  214    HB2  LEU  31           HB2      LEU  31   2.451   6.535  -9.692
  215    HB3  LEU  31           HB1      LEU  31   1.761   4.933  -9.667
  216    HG   LEU  31           HG       LEU  31   0.941   5.356  -7.354
  217   HD11  LEU  31          HD11      LEU  31   2.524   7.028  -6.624
  218   HD12  LEU  31          HD12      LEU  31   0.874   7.630  -6.476
  219   HD13  LEU  31          HD13      LEU  31   1.897   8.176  -7.808
  220   HD21  LEU  31          HD21      LEU  31  -0.866   6.876  -8.004
  221   HD22  LEU  31          HD22      LEU  31  -0.521   5.678  -9.252
  222   HD23  LEU  31          HD23      LEU  31   0.049   7.333  -9.442
  223    H    ASP  32           HN       ASP  32   5.596   5.734  -9.781
  224    HA   ASP  32           HA       ASP  32   5.451   3.480 -11.615
  225    HB2  ASP  32           HB2      ASP  32   7.041   4.657 -12.979
  226    HB3  ASP  32           HB1      ASP  32   5.804   5.799 -12.482
  227    H    LEU  33           HN       LEU  33   6.469   3.648  -8.693
  228    HA   LEU  33           HA       LEU  33   9.154   2.560  -8.989
  229    HB2  LEU  33           HB2      LEU  33   7.394   2.904  -6.595
  230    HB3  LEU  33           HB1      LEU  33   9.064   2.367  -6.528
  231    HG   LEU  33           HG       LEU  33   8.066   5.097  -7.327
  232   HD11  LEU  33          HD11      LEU  33   9.360   5.843  -5.388
  233   HD12  LEU  33          HD12      LEU  33   9.772   4.165  -5.029
  234   HD13  LEU  33          HD13      LEU  33   8.094   4.700  -4.943
  235   HD21  LEU  33          HD21      LEU  33  10.422   5.727  -7.600
  236   HD22  LEU  33          HD22      LEU  33   9.955   4.474  -8.748
  237   HD23  LEU  33          HD23      LEU  33  10.901   4.054  -7.320
  238    H    ARG  34           HN       ARG  34   9.580   0.463  -7.832
  239    HA   ARG  34           HA       ARG  34   7.302  -1.392  -8.187
  240    HB2  ARG  34           HB2      ARG  34  10.223  -1.985  -8.812
  241    HB3  ARG  34           HB1      ARG  34   8.873  -3.078  -8.989
  242    HG2  ARG  34           HG2      ARG  34   7.908  -1.811 -10.747
  243    HG3  ARG  34           HG1      ARG  34   9.034  -0.483 -10.478
  244    HD2  ARG  34           HD2      ARG  34  10.887  -1.885 -11.226
  245    HD3  ARG  34           HD1      ARG  34   9.767  -3.247 -11.399
  246    HE   ARG  34           HE       ARG  34   8.628  -1.992 -13.100
  247   HH11  ARG  34          HH11      ARG  34  12.009  -1.047 -12.419
  248   HH12  ARG  34          HH12      ARG  34  12.284  -0.347 -13.931
  249   HH21  ARG  34          HH21      ARG  34   9.048  -1.040 -15.248
  250   HH22  ARG  34          HH22      ARG  34  10.566  -0.311 -15.570
  251    H    PHE  35           HN       PHE  35   6.998  -2.858  -6.534
  252    HA   PHE  35           HA       PHE  35   8.194  -2.180  -4.087
  253    HB2  PHE  35           HB2      PHE  35   6.364  -4.441  -4.820
  254    HB3  PHE  35           HB1      PHE  35   7.040  -4.282  -3.202
  255    HD1  PHE  35           HD1      PHE  35   6.914  -1.587  -2.494
  256    HD2  PHE  35           HD2      PHE  35   4.173  -3.778  -4.887
  257    HE1  PHE  35           HE1      PHE  35   5.127  -0.036  -1.850
  258    HE2  PHE  35           HE2      PHE  35   2.379  -2.224  -4.250
  259    HZ   PHE  35           HZ       PHE  35   2.852  -0.351  -2.732
  260    H    GLU  36           HN       GLU  36   8.869  -4.808  -6.303
  261    HA   GLU  36           HA       GLU  36  10.665  -6.188  -4.601
  262    HB2  GLU  36           HB2      GLU  36   9.689  -6.886  -6.903
  263    HB3  GLU  36           HB1      GLU  36  10.968  -5.915  -7.599
  264    HG2  GLU  36           HG2      GLU  36  11.345  -8.357  -5.858
  265    HG3  GLU  36           HG1      GLU  36  11.473  -8.290  -7.613
  266    H    ASP  37           HN       ASP  37  11.020  -3.625  -6.939
  267    HA   ASP  37           HA       ASP  37  13.797  -3.307  -6.875
  268    HB2  ASP  37           HB2      ASP  37  12.361  -2.432  -8.650
  269    HB3  ASP  37           HB1      ASP  37  11.705  -1.246  -7.528
  270    H    ILE  38           HN       ILE  38  11.280  -1.661  -4.974
  271    HA   ILE  38           HA       ILE  38  13.327  -0.108  -3.641
  272    HB   ILE  38           HB       ILE  38  11.538   0.941  -2.299
  273   HG12  ILE  38          HG12      ILE  38   9.634  -0.776  -3.925
  274   HG13  ILE  38          HG11      ILE  38   9.972  -0.986  -2.213
  275   HG21  ILE  38          HG21      ILE  38  12.182   1.944  -4.385
  276   HG22  ILE  38          HG22      ILE  38  10.443   2.139  -4.139
  277   HG23  ILE  38          HG23      ILE  38  11.047   0.918  -5.261
  278   HD11  ILE  38          HD11      ILE  38   9.010   1.215  -1.755
  279   HD12  ILE  38          HD12      ILE  38   7.851   0.166  -2.574
  280   HD13  ILE  38          HD13      ILE  38   8.686   1.434  -3.473
  281    H    GLY  39           HN       GLY  39  12.899  -3.104  -3.330
  282    HA2  GLY  39           HA2      GLY  39  13.503  -4.623  -1.712
  283    HA3  GLY  39           HA1      GLY  39  14.010  -3.257  -0.731
  284    H    TYR  40           HN       TYR  40  10.788  -3.968  -1.965
  285    HA   TYR  40           HA       TYR  40   9.880  -3.934   0.798
  286    HB2  TYR  40           HB2      TYR  40   9.005  -2.520  -1.437
  287    HB3  TYR  40           HB1      TYR  40   7.781  -3.762  -1.179
  288    HD1  TYR  40           HD1      TYR  40   9.582  -0.975   0.442
  289    HD2  TYR  40           HD2      TYR  40   6.286  -3.641   0.595
  290    HE1  TYR  40           HE1      TYR  40   8.577   0.375   2.229
  291    HE2  TYR  40           HE2      TYR  40   5.280  -2.315   2.375
  292    HH   TYR  40           HH       TYR  40   5.838  -0.733   3.981
  293    H    ASP  41           HN       ASP  41   8.770  -5.546   1.599
  294    HA   ASP  41           HA       ASP  41   8.599  -8.014   0.019
  295    HB2  ASP  41           HB2      ASP  41   8.434  -7.553   2.991
  296    HB3  ASP  41           HB1      ASP  41   8.185  -9.102   2.220
  297    H    SER  42           HN       SER  42   6.772  -9.314   0.252
  298    HA   SER  42           HA       SER  42   4.360  -7.860   0.030
  299    HB2  SER  42           HB2      SER  42   3.575 -10.446   0.047
  300    HB3  SER  42           HB1      SER  42   4.175  -9.612  -1.389
  301    H    LEU  43           HN       LEU  43   5.884  -9.688   2.561
  302    HA   LEU  43           HA       LEU  43   3.739  -9.861   4.351
  303    HB2  LEU  43           HB2      LEU  43   5.946 -10.931   4.715
  304    HB3  LEU  43           HB1      LEU  43   6.656  -9.352   4.975
  305    HG   LEU  43           HG       LEU  43   5.140  -9.073   6.944
  306   HD11  LEU  43          HD11      LEU  43   4.113 -11.064   7.918
  307   HD12  LEU  43          HD12      LEU  43   4.561 -11.989   6.486
  308   HD13  LEU  43          HD13      LEU  43   3.417 -10.652   6.351
  309   HD21  LEU  43          HD21      LEU  43   7.464  -9.709   7.224
  310   HD22  LEU  43          HD22      LEU  43   7.041 -11.413   7.024
  311   HD23  LEU  43          HD23      LEU  43   6.450 -10.510   8.421
  312    H    ALA  44           HN       ALA  44   5.946  -7.244   3.575
  313    HA   ALA  44           HA       ALA  44   4.915  -5.481   5.562
  314    HB1  ALA  44           HB1      ALA  44   7.196  -5.236   4.704
  315    HB2  ALA  44           HB2      ALA  44   6.261  -3.765   4.439
  316    HB3  ALA  44           HB3      ALA  44   6.561  -4.875   3.101
  317    H    LEU  45           HN       LEU  45   4.319  -6.119   2.182
  318    HA   LEU  45           HA       LEU  45   2.617  -3.960   1.604
  319    HB2  LEU  45           HB2      LEU  45   2.620  -6.731   0.437
  320    HB3  LEU  45           HB1      LEU  45   1.704  -5.384  -0.206
  321    HG   LEU  45           HG       LEU  45   4.700  -5.576  -0.032
  322   HD11  LEU  45          HD11      LEU  45   3.693  -6.987  -1.760
  323   HD12  LEU  45          HD12      LEU  45   4.588  -5.630  -2.457
  324   HD13  LEU  45          HD13      LEU  45   2.824  -5.582  -2.383
  325   HD21  LEU  45          HD21      LEU  45   3.919  -3.308   0.329
  326   HD22  LEU  45          HD22      LEU  45   2.920  -3.411  -1.118
  327   HD23  LEU  45          HD23      LEU  45   4.681  -3.461  -1.255
  328    H    MET  46           HN       MET  46   1.864  -7.168   2.854
  329    HA   MET  46           HA       MET  46  -0.906  -6.577   2.957
  330    HB2  MET  46           HB2      MET  46  -1.172  -8.671   4.265
  331    HB3  MET  46           HB1      MET  46  -0.271  -8.906   2.783
  332    HG2  MET  46           HG2      MET  46   0.824 -10.211   4.341
  333    HG3  MET  46           HG1      MET  46   1.816  -8.770   4.220
  334    HE1  MET  46           HE1      MET  46  -1.027  -9.681   7.734
  335    HE2  MET  46           HE2      MET  46  -0.746 -10.770   6.375
  336    HE3  MET  46           HE3      MET  46  -1.591  -9.244   6.121
  337    H    GLU  47           HN       GLU  47   1.716  -5.948   5.057
  338    HA   GLU  47           HA       GLU  47   0.207  -5.362   7.403
  339    HB2  GLU  47           HB2      GLU  47   2.695  -5.839   7.259
  340    HB3  GLU  47           HB1      GLU  47   2.890  -4.243   6.558
  341    HG2  GLU  47           HG2      GLU  47   3.466  -4.267   8.903
  342    HG3  GLU  47           HG1      GLU  47   2.060  -3.234   8.616
  343    H    THR  48           HN       THR  48   1.602  -3.442   4.755
  344    HA   THR  48           HA       THR  48   0.684  -0.901   5.262
  345    HB   THR  48           HB       THR  48   0.868  -2.419   2.639
  346    HG1  THR  48           HG1      THR  48   2.752  -1.349   4.346
  347   HG21  THR  48          HG21      THR  48   0.913   0.566   3.124
  348   HG22  THR  48          HG22      THR  48  -0.398  -0.337   2.360
  349   HG23  THR  48          HG23      THR  48   1.176  -0.230   1.572
  350    H    ALA  49           HN       ALA  49  -0.884  -3.431   3.312
  351    HA   ALA  49           HA       ALA  49  -3.297  -2.167   2.812
  352    HB1  ALA  49           HB1      ALA  49  -2.829  -5.130   3.090
  353    HB2  ALA  49           HB2      ALA  49  -2.527  -4.176   1.638
  354    HB3  ALA  49           HB3      ALA  49  -4.173  -4.359   2.249
  355    H    ALA  50           HN       ALA  50  -2.592  -4.535   5.414
  356    HA   ALA  50           HA       ALA  50  -5.068  -4.783   6.584
  357    HB1  ALA  50           HB1      ALA  50  -3.919  -5.471   8.590
  358    HB2  ALA  50           HB2      ALA  50  -2.447  -4.683   8.031
  359    HB3  ALA  50           HB3      ALA  50  -3.069  -6.094   7.169
  360    H    ARG  51           HN       ARG  51  -2.650  -2.333   7.227
  361    HA   ARG  51           HA       ARG  51  -3.837  -1.067   9.410
  362    HB2  ARG  51           HB2      ARG  51  -1.556  -0.664   8.788
  363    HB3  ARG  51           HB1      ARG  51  -2.048  -0.024   7.227
  364    HG2  ARG  51           HG2      ARG  51  -3.091   1.866   8.321
  365    HG3  ARG  51           HG1      ARG  51  -2.642   1.209   9.897
  366    HD2  ARG  51           HD2      ARG  51  -0.311   1.372   9.326
  367    HD3  ARG  51           HD1      ARG  51  -0.718   1.977   7.718
  368    HE   ARG  51           HE       ARG  51  -1.762   3.891   8.787
  369   HH11  ARG  51          HH11      ARG  51   0.834   2.194  10.539
  370   HH12  ARG  51          HH12      ARG  51   1.074   3.423  11.667
  371   HH21  ARG  51          HH21      ARG  51  -1.373   5.615  10.335
  372   HH22  ARG  51          HH22      ARG  51  -0.215   5.414  11.555
  373    H    LEU  52           HN       LEU  52  -4.239  -0.584   5.968
  374    HA   LEU  52           HA       LEU  52  -5.957   1.697   6.313
  375    HB2  LEU  52           HB2      LEU  52  -5.247   0.135   3.823
  376    HB3  LEU  52           HB1      LEU  52  -6.029   1.707   3.866
  377    HG   LEU  52           HG       LEU  52  -3.234   1.157   4.879
  378   HD11  LEU  52          HD11      LEU  52  -3.334   0.952   2.467
  379   HD12  LEU  52          HD12      LEU  52  -2.459   2.403   2.952
  380   HD13  LEU  52          HD13      LEU  52  -4.114   2.530   2.357
  381   HD21  LEU  52          HD21      LEU  52  -4.309   2.992   6.057
  382   HD22  LEU  52          HD22      LEU  52  -4.725   3.756   4.521
  383   HD23  LEU  52          HD23      LEU  52  -3.032   3.592   4.997
  384    H    GLU  53           HN       GLU  53  -6.275  -1.669   5.287
  385    HA   GLU  53           HA       GLU  53  -8.850  -2.085   4.710
  386    HB2  GLU  53           HB2      GLU  53  -6.917  -3.651   6.372
  387    HB3  GLU  53           HB1      GLU  53  -8.542  -4.250   6.118
  388    HG2  GLU  53           HG2      GLU  53  -6.957  -3.452   3.751
  389    HG3  GLU  53           HG1      GLU  53  -6.535  -4.944   4.589
  390    H    SER  54           HN       SER  54  -7.460  -2.141   7.954
  391    HA   SER  54           HA       SER  54  -9.795  -2.608   9.399
  392    HB2  SER  54           HB2      SER  54  -7.240  -1.302  10.348
  393    HB3  SER  54           HB1      SER  54  -8.443  -2.119  11.353
  394    HG   SER  54           HG       SER  54  -6.596  -3.203   9.524
  395    H    ARG  55           HN       ARG  55  -8.242   0.443   8.462
  396    HA   ARG  55           HA       ARG  55  -9.921   2.019  10.180
  397    HB2  ARG  55           HB2      ARG  55  -7.695   2.843   9.613
  398    HB3  ARG  55           HB1      ARG  55  -8.130   2.902   7.908
  399    HG2  ARG  55           HG2      ARG  55  -9.881   4.570   8.450
  400    HG3  ARG  55           HG1      ARG  55  -9.328   4.555  10.124
  401    HD2  ARG  55           HD2      ARG  55  -7.137   5.355   9.403
  402    HD3  ARG  55           HD1      ARG  55  -7.683   5.343   7.725
  403    HE   ARG  55           HE       ARG  55  -9.314   6.895   9.517
  404   HH11  ARG  55          HH11      ARG  55  -6.600   6.997   7.254
  405   HH12  ARG  55          HH12      ARG  55  -6.623   8.677   7.030
  406   HH21  ARG  55          HH21      ARG  55  -9.361   9.247   9.230
  407   HH22  ARG  55          HH22      ARG  55  -8.210   9.982   8.213
  408    H    TYR  56           HN       TYR  56  -9.869   1.316   6.705
  409    HA   TYR  56           HA       TYR  56 -12.095   3.117   6.340
  410    HB2  TYR  56           HB2      TYR  56 -10.485   1.538   4.335
  411    HB3  TYR  56           HB1      TYR  56 -11.775   2.657   3.905
  412    HD1  TYR  56           HD2      TYR  56 -11.539   5.085   4.649
  413    HD2  TYR  56           HD1      TYR  56  -8.284   2.349   4.692
  414    HE1  TYR  56           HE2      TYR  56  -9.958   6.963   4.745
  415    HE2  TYR  56           HE1      TYR  56  -6.705   4.222   4.803
  416    HH   TYR  56           HH       TYR  56  -6.618   6.698   4.242
  417    H    GLY  57           HN       GLY  57 -11.742  -0.106   7.071
  418    HA2  GLY  57           HA2      GLY  57 -13.342  -1.710   7.425
  419    HA3  GLY  57           HA1      GLY  57 -14.559  -0.521   6.982
  420    H    VAL  58           HN       VAL  58 -11.857  -2.075   5.250
  421    HA   VAL  58           HA       VAL  58 -13.804  -2.789   3.231
  422    HB   VAL  58           HB       VAL  58 -11.943  -2.570   1.510
  423   HG11  VAL  58          HG11      VAL  58 -12.103  -0.147   1.380
  424   HG12  VAL  58          HG12      VAL  58 -12.619  -0.085   3.057
  425   HG13  VAL  58          HG13      VAL  58 -13.672  -0.831   1.837
  426   HG21  VAL  58          HG21      VAL  58 -10.045  -2.648   3.056
  427   HG22  VAL  58          HG22      VAL  58 -10.567  -1.123   3.773
  428   HG23  VAL  58          HG23      VAL  58 -10.026  -1.169   2.095
  429    H    SER  59           HN       SER  59 -12.666  -4.607   1.707
  430    HA   SER  59           HA       SER  59 -11.376  -6.511   3.507
  431    HB2  SER  59           HB2      SER  59 -13.790  -7.134   1.804
  432    HB3  SER  59           HB1      SER  59 -12.903  -8.269   2.825
  433    HG   SER  59           HG       SER  59 -13.460  -6.310   4.393
  434    H    ILE  60           HN       ILE  60  -9.470  -6.627   2.477
  435    HA   ILE  60           HA       ILE  60  -9.466  -7.516  -0.324
  436    HB   ILE  60           HB       ILE  60  -7.402  -5.850   1.153
  437   HG12  ILE  60          HG12      ILE  60  -9.116  -5.076  -1.213
  438   HG13  ILE  60          HG11      ILE  60  -9.507  -4.668   0.453
  439   HG21  ILE  60          HG21      ILE  60  -6.222  -5.711  -1.004
  440   HG22  ILE  60          HG22      ILE  60  -7.396  -6.823  -1.708
  441   HG23  ILE  60          HG23      ILE  60  -6.326  -7.374  -0.420
  442   HD11  ILE  60          HD11      ILE  60  -7.433  -3.424   0.623
  443   HD12  ILE  60          HD12      ILE  60  -8.465  -2.811  -0.673
  444   HD13  ILE  60          HD13      ILE  60  -7.057  -3.812  -1.056
  445    HA   PRO  61           HA       PRO  61  -7.650 -11.236   1.466
  446    HB2  PRO  61           HB2      PRO  61  -6.631 -11.448  -1.323
  447    HB3  PRO  61           HB1      PRO  61  -7.479 -12.663  -0.369
  448    HG2  PRO  61           HG2      PRO  61  -8.744 -11.393  -2.303
  449    HG3  PRO  61           HG1      PRO  61  -9.567 -11.669  -0.756
  450    HD2  PRO  61           HD2      PRO  61  -8.304  -9.175  -1.814
  451    HD3  PRO  61           HD1      PRO  61  -9.822  -9.375  -0.913
  452    H    ASP  62           HN       ASP  62  -5.747 -11.439   2.436
  453    HA   ASP  62           HA       ASP  62  -3.602  -9.616   2.201
  454    HB2  ASP  62           HB2      ASP  62  -3.502 -12.438   3.321
  455    HB3  ASP  62           HB1      ASP  62  -2.314 -11.177   3.611
  456    H    ASP  63           HN       ASP  63  -4.294 -12.642   0.753
  457    HA   ASP  63           HA       ASP  63  -1.970 -13.389  -0.553
  458    HB2  ASP  63           HB2      ASP  63  -3.986 -14.763  -0.538
  459    HB3  ASP  63           HB1      ASP  63  -4.841 -13.564  -1.495
  460    H    VAL  64           HN       VAL  64  -4.483 -11.150  -1.591
  461    HA   VAL  64           HA       VAL  64  -3.195 -10.617  -4.093
  462    HB   VAL  64           HB       VAL  64  -5.609  -9.253  -2.848
  463   HG11  VAL  64          HG11      VAL  64  -4.631  -9.224  -5.704
  464   HG12  VAL  64          HG12      VAL  64  -4.586  -7.871  -4.573
  465   HG13  VAL  64          HG13      VAL  64  -6.134  -8.508  -5.120
  466   HG21  VAL  64          HG21      VAL  64  -6.933 -10.686  -4.330
  467   HG22  VAL  64          HG22      VAL  64  -5.985 -11.634  -3.186
  468   HG23  VAL  64          HG23      VAL  64  -5.458 -11.491  -4.864
  469    H    ALA  65           HN       ALA  65  -3.468  -9.126  -0.969
  470    HA   ALA  65           HA       ALA  65  -2.626  -6.512  -1.460
  471    HB1  ALA  65           HB1      ALA  65  -2.024  -8.202   0.950
  472    HB2  ALA  65           HB2      ALA  65  -3.516  -7.282   0.698
  473    HB3  ALA  65           HB3      ALA  65  -1.965  -6.445   0.874
  474    H    GLY  66           HN       GLY  66  -0.725  -9.419  -0.831
  475    HA2  GLY  66           HA2      GLY  66   1.738  -7.898  -1.155
  476    HA3  GLY  66           HA1      GLY  66   1.616  -9.562  -0.641
  477    H    ARG  67           HN       ARG  67  -0.354  -9.014  -3.300
  478    HA   ARG  67           HA       ARG  67   1.535 -10.498  -4.976
  479    HB2  ARG  67           HB2      ARG  67  -0.790 -11.345  -4.451
  480    HB3  ARG  67           HB1      ARG  67  -1.411 -10.004  -5.389
  481    HG2  ARG  67           HG2      ARG  67  -0.102 -10.912  -7.337
  482    HG3  ARG  67           HG1      ARG  67   0.197 -12.346  -6.346
  483    HD2  ARG  67           HD2      ARG  67  -1.721 -12.737  -7.746
  484    HD3  ARG  67           HD1      ARG  67  -2.239 -12.611  -6.063
  485    HE   ARG  67           HE       ARG  67  -2.371 -10.073  -7.203
  486   HH11  ARG  67          HH11      ARG  67  -4.134 -13.146  -7.316
  487   HH12  ARG  67          HH12      ARG  67  -5.513 -12.465  -8.062
  488   HH21  ARG  67          HH21      ARG  67  -4.251  -9.158  -8.155
  489   HH22  ARG  67          HH22      ARG  67  -5.602 -10.144  -8.512
  490    H    VAL  68           HN       VAL  68   0.720  -7.394  -4.432
  491    HA   VAL  68           HA       VAL  68   0.297  -6.525  -7.118
  492    HB   VAL  68           HB       VAL  68   0.489  -4.191  -6.262
  493   HG11  VAL  68          HG11      VAL  68  -1.538  -4.262  -4.881
  494   HG12  VAL  68          HG12      VAL  68  -1.336  -6.004  -4.687
  495   HG13  VAL  68          HG13      VAL  68  -1.663  -5.327  -6.283
  496   HG21  VAL  68          HG21      VAL  68   2.102  -4.570  -4.479
  497   HG22  VAL  68          HG22      VAL  68   0.927  -5.553  -3.605
  498   HG23  VAL  68          HG23      VAL  68   0.637  -3.829  -3.838
  499    H    ASP  69           HN       ASP  69   1.766  -4.459  -7.761
  500    HA   ASP  69           HA       ASP  69   4.533  -5.476  -7.662
  501    HB2  ASP  69           HB2      ASP  69   3.614  -6.075  -9.807
  502    HB3  ASP  69           HB1      ASP  69   3.094  -4.419 -10.091
  503    H    THR  70           HN       THR  70   2.764  -2.553  -8.702
  504    HA   THR  70           HA       THR  70   5.019  -0.989  -7.684
  505    HB   THR  70           HB       THR  70   4.066   0.833  -9.066
  506    HG1  THR  70           HG1      THR  70   2.337  -0.477 -10.579
  507   HG21  THR  70          HG21      THR  70   4.335  -1.753 -10.623
  508   HG22  THR  70          HG22      THR  70   5.670  -0.718 -10.138
  509   HG23  THR  70          HG23      THR  70   4.477  -0.129 -11.296
  510    HA   PRO  71           HA       PRO  71   2.427   0.752  -4.368
  511    HB2  PRO  71           HB2      PRO  71   3.150   3.419  -5.519
  512    HB3  PRO  71           HB1      PRO  71   3.247   2.862  -3.842
  513    HG2  PRO  71           HG2      PRO  71   5.453   3.050  -5.254
  514    HG3  PRO  71           HG1      PRO  71   5.185   1.622  -4.229
  515    HD2  PRO  71           HD2      PRO  71   4.887   1.905  -7.196
  516    HD3  PRO  71           HD1      PRO  71   5.594   0.573  -6.260
  517    H    ARG  72           HN       ARG  72   2.252   1.935  -7.618
  518    HA   ARG  72           HA       ARG  72  -0.261   3.195  -7.659
  519    HB2  ARG  72           HB2      ARG  72   1.305   3.192  -9.567
  520    HB3  ARG  72           HB1      ARG  72   0.959   1.485  -9.832
  521    HG2  ARG  72           HG2      ARG  72  -1.445   2.134 -10.131
  522    HG3  ARG  72           HG1      ARG  72  -0.906   3.813 -10.129
  523    HD2  ARG  72           HD2      ARG  72  -0.098   1.651 -12.063
  524    HD3  ARG  72           HD1      ARG  72  -1.165   3.013 -12.387
  525    HE   ARG  72           HE       ARG  72   1.733   3.041 -12.147
  526   HH11  ARG  72          HH11      ARG  72  -1.189   5.044 -12.374
  527   HH12  ARG  72          HH12      ARG  72  -0.401   6.309 -13.180
  528   HH21  ARG  72          HH21      ARG  72   2.760   4.721 -13.333
  529   HH22  ARG  72          HH22      ARG  72   1.855   6.098 -13.827
  530    H    GLU  73           HN       GLU  73   0.613  -0.200  -8.219
  531    HA   GLU  73           HA       GLU  73  -1.919  -1.268  -8.731
  532    HB2  GLU  73           HB2      GLU  73   0.413  -2.593  -7.346
  533    HB3  GLU  73           HB1      GLU  73  -0.954  -3.426  -8.061
  534    HG2  GLU  73           HG2      GLU  73   1.072  -1.770  -9.543
  535    HG3  GLU  73           HG1      GLU  73   1.052  -3.528  -9.444
  536    H    LEU  74           HN       LEU  74  -0.114  -0.996  -5.709
  537    HA   LEU  74           HA       LEU  74  -2.025  -2.238  -4.048
  538    HB2  LEU  74           HB2      LEU  74   0.450  -1.806  -3.574
  539    HB3  LEU  74           HB1      LEU  74   0.021  -0.151  -3.237
  540    HG   LEU  74           HG       LEU  74   0.436  -1.549  -1.218
  541   HD11  LEU  74          HD11      LEU  74  -2.356  -0.466  -1.394
  542   HD12  LEU  74          HD12      LEU  74  -0.901   0.438  -0.975
  543   HD13  LEU  74          HD13      LEU  74  -1.483  -0.844   0.091
  544   HD21  LEU  74          HD21      LEU  74  -2.083  -2.976  -2.048
  545   HD22  LEU  74          HD22      LEU  74  -1.254  -3.175  -0.504
  546   HD23  LEU  74          HD23      LEU  74  -0.458  -3.657  -2.004
  547    H    LEU  75           HN       LEU  75  -1.483   1.120  -4.968
  548    HA   LEU  75           HA       LEU  75  -3.352   2.363  -3.307
  549    HB2  LEU  75           HB2      LEU  75  -1.605   3.529  -4.607
  550    HB3  LEU  75           HB1      LEU  75  -2.471   3.162  -6.080
  551    HG   LEU  75           HG       LEU  75  -4.347   4.572  -5.330
  552   HD11  LEU  75          HD11      LEU  75  -4.079   4.312  -2.936
  553   HD12  LEU  75          HD12      LEU  75  -4.077   6.017  -3.381
  554   HD13  LEU  75          HD13      LEU  75  -2.558   5.206  -2.984
  555   HD21  LEU  75          HD21      LEU  75  -3.206   6.725  -5.576
  556   HD22  LEU  75          HD22      LEU  75  -2.581   5.530  -6.715
  557   HD23  LEU  75          HD23      LEU  75  -1.657   5.938  -5.270
  558    H    ASP  76           HN       ASP  76  -3.689   1.169  -6.639
  559    HA   ASP  76           HA       ASP  76  -6.429   1.905  -6.876
  560    HB2  ASP  76           HB2      ASP  76  -5.019   1.496  -8.863
  561    HB3  ASP  76           HB1      ASP  76  -4.947  -0.214  -8.446
  562    H    LEU  77           HN       LEU  77  -4.817  -1.066  -5.948
  563    HA   LEU  77           HA       LEU  77  -6.984  -2.790  -5.796
  564    HB2  LEU  77           HB2      LEU  77  -4.691  -3.537  -5.544
  565    HB3  LEU  77           HB1      LEU  77  -4.529  -2.641  -4.050
  566    HG   LEU  77           HG       LEU  77  -6.210  -4.106  -3.013
  567   HD11  LEU  77          HD11      LEU  77  -6.021  -5.667  -5.591
  568   HD12  LEU  77          HD12      LEU  77  -7.432  -4.792  -5.001
  569   HD13  LEU  77          HD13      LEU  77  -6.837  -6.202  -4.124
  570   HD21  LEU  77          HD21      LEU  77  -4.753  -6.069  -2.819
  571   HD22  LEU  77          HD22      LEU  77  -3.841  -4.562  -2.734
  572   HD23  LEU  77          HD23      LEU  77  -3.831  -5.518  -4.217
  573    H    ILE  78           HN       ILE  78  -5.693  -0.645  -3.298
  574    HA   ILE  78           HA       ILE  78  -7.833  -1.330  -1.555
  575    HB   ILE  78           HB       ILE  78  -5.723   0.830  -1.229
  576   HG12  ILE  78          HG12      ILE  78  -6.019  -1.984  -0.169
  577   HG13  ILE  78          HG11      ILE  78  -4.727  -1.338  -1.170
  578   HG21  ILE  78          HG21      ILE  78  -6.424   0.896   1.134
  579   HG22  ILE  78          HG22      ILE  78  -7.782  -0.165   0.752
  580   HG23  ILE  78          HG23      ILE  78  -7.687   1.449   0.041
  581   HD11  ILE  78          HD11      ILE  78  -5.288  -0.659   1.701
  582   HD12  ILE  78          HD12      ILE  78  -4.007   0.062   0.726
  583   HD13  ILE  78          HD13      ILE  78  -3.970  -1.667   1.102
  584    H    ASN  79           HN       ASN  79  -7.142   1.543  -3.566
  585    HA   ASN  79           HA       ASN  79  -9.440   2.918  -2.674
  586    HB2  ASN  79           HB2      ASN  79  -7.682   3.348  -5.060
  587    HB3  ASN  79           HB1      ASN  79  -9.204   4.224  -4.923
  588   HD21  ASN  79          HD21      ASN  79  -6.601   5.396  -4.905
  589   HD22  ASN  79          HD22      ASN  79  -6.404   6.143  -3.370
  590    H    GLY  80           HN       GLY  80  -9.131   0.417  -4.972
  591    HA2  GLY  80           HA2      GLY  80 -11.594   0.769  -6.289
  592    HA3  GLY  80           HA1      GLY  80 -10.747  -0.762  -6.086
  593    H    ALA  81           HN       ALA  81 -10.714  -0.653  -3.232
  594    HA   ALA  81           HA       ALA  81 -13.388  -1.619  -2.673
  595    HB1  ALA  81           HB1      ALA  81 -10.930  -1.485  -0.918
  596    HB2  ALA  81           HB2      ALA  81 -11.430  -2.874  -1.885
  597    HB3  ALA  81           HB3      ALA  81 -12.426  -2.334  -0.536
  598    H    LEU  82           HN       LEU  82 -11.274   1.012  -1.759
  599    HA   LEU  82           HA       LEU  82 -12.973   2.175   0.168
  600    HB2  LEU  82           HB2      LEU  82 -10.541   3.032  -1.268
  601    HB3  LEU  82           HB1      LEU  82 -11.547   4.299  -0.606
  602    HG   LEU  82           HG       LEU  82 -11.297   3.385   1.628
  603   HD11  LEU  82          HD11      LEU  82  -9.544   1.310   0.357
  604   HD12  LEU  82          HD12      LEU  82 -11.124   1.037   1.099
  605   HD13  LEU  82          HD13      LEU  82  -9.765   1.563   2.088
  606   HD21  LEU  82          HD21      LEU  82  -8.921   3.834   1.934
  607   HD22  LEU  82          HD22      LEU  82  -9.672   4.997   0.837
  608   HD23  LEU  82          HD23      LEU  82  -8.676   3.693   0.193
  609    H    ALA  83           HN       ALA  83 -13.292   2.041  -3.144
  610    HA   ALA  83           HA       ALA  83 -14.616   4.493  -3.599
  611    HB1  ALA  83           HB1      ALA  83 -15.461   3.433  -5.632
  612    HB2  ALA  83           HB2      ALA  83 -14.928   1.859  -5.039
  613    HB3  ALA  83           HB3      ALA  83 -13.742   3.110  -5.418
  614    H    GLU  84           HN       GLU  84 -15.525   1.577  -2.028
  615    HA   GLU  84           HA       GLU  84 -18.331   2.393  -1.954
  616    HB2  GLU  84           HB2      GLU  84 -16.976  -0.194  -1.165
  617    HB3  GLU  84           HB1      GLU  84 -18.653   0.156  -0.810
  618    HG2  GLU  84           HG2      GLU  84 -18.589  -1.262  -2.712
  619    HG3  GLU  84           HG1      GLU  84 -19.060   0.336  -3.258
  620    H    ALA  85           HN       ALA  85 -15.645   3.154  -0.335
  621    HA   ALA  85           HA       ALA  85 -16.752   2.763   2.344
  622    HB1  ALA  85           HB1      ALA  85 -14.484   1.897   1.993
  623    HB2  ALA  85           HB2      ALA  85 -14.501   3.207   3.173
  624    HB3  ALA  85           HB3      ALA  85 -13.942   3.508   1.525
  625    H    ALA  86           HN       ALA  86 -17.715   4.402   3.255
  626    HA   ALA  86           HA       ALA  86 -16.727   7.088   2.895
  627    HB1  ALA  86           HB1      ALA  86 -18.328   6.871   1.041
  628    HB2  ALA  86           HB2      ALA  86 -18.919   7.997   2.262
  629    HB3  ALA  86           HB3      ALA  86 -19.577   6.365   2.178
  630    H28  SXD  87          H28B      SXD  87   4.253 -12.541   3.167
  631   H28A  SXD  87          H28A      SXD  87   4.446 -13.952   2.117
  632    H30  SXD  87          H30A      SXD  87   2.468 -13.258   4.468
  633   H30A  SXD  87          H30C      SXD  87   1.085 -14.116   3.798
  634   H30B  SXD  87          H30B      SXD  87   2.682 -14.855   3.753
  635    H31  SXD  87          H31A      SXD  87   0.585 -12.130   2.306
  636   H31A  SXD  87          H31C      SXD  87   1.960 -11.295   3.036
  637   H31B  SXD  87          H31B      SXD  87   1.860 -11.472   1.283
  638    H32  SXD  87          H32A      SXD  87   2.417 -15.207   1.228
  639   HO33  SXD  87          H33A      SXD  87   1.549 -13.453  -0.556
  640   HN36  SXD  87          H36A      SXD  87   0.355 -15.176   2.769
  641    H37  SXD  87          H37B      SXD  87  -1.919 -15.883   1.387
  642   H37A  SXD  87          H37A      SXD  87  -2.048 -14.150   1.797
  643    H38  SXD  87          H38A      SXD  87  -1.808 -16.420   3.749
  644   H38A  SXD  87          H38B      SXD  87  -1.282 -14.822   4.082
  645   HN41  SXD  87          H41A      SXD  87  -2.771 -15.033   5.749
  646    H42  SXD  87          H42B      SXD  87  -5.612 -14.794   5.322
  647   H42A  SXD  87          H42A      SXD  87  -4.804 -13.260   5.684
  648    H43  SXD  87          H43B      SXD  87  -3.876 -14.260   7.742
  649   H43A  SXD  87          H43A      SXD  87  -5.646 -14.170   7.709
  650    H1   SXD  87           H1A      SXD  87  -3.924 -16.037   9.739
  651    H1A  SXD  87           H1B      SXD  87  -4.966 -17.471   9.716
  652    H2   SXD  87           H2A      SXD  87  -6.913 -15.821   9.658
  653    H2A  SXD  87           H2B      SXD  87  -5.712 -14.558   9.829
  654    H4   SXD  87           H4B      SXD  87  -7.865 -16.698  11.763
  655    H4A  SXD  87           H4A      SXD  87  -7.115 -16.166  13.272
  656    H6   SXD  87           H6C      SXD  87  -8.115 -13.024  13.617
  657    H6A  SXD  87           H6A      SXD  87  -8.018 -14.619  14.370
  658    H6B  SXD  87           H6B      SXD  87  -9.561 -14.033  13.733
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -19.179  11.139   0.471
    2    H2   MET   1           HT2      MET   1 -19.263  12.758   0.015
    3    H3   MET   1           HT3      MET   1 -17.778  11.899  -0.056
    4    HA   MET   1           HA       MET   1 -20.173  11.148  -1.562
    5    HB2  MET   1           HB2      MET   1 -17.747  12.658  -2.569
    6    HB3  MET   1           HB1      MET   1 -18.996  11.976  -3.595
    7    HG2  MET   1           HG2      MET   1 -19.334  14.183  -1.581
    8    HG3  MET   1           HG1      MET   1 -19.330  14.343  -3.336
    9    HE1  MET   1           HE1      MET   1 -23.062  15.097  -2.438
   10    HE2  MET   1           HE2      MET   1 -21.610  15.677  -3.258
   11    HE3  MET   1           HE3      MET   1 -21.635  15.541  -1.501
   12    H    ALA   2           HN       ALA   2 -16.623  10.991  -2.198
   13    HA   ALA   2           HA       ALA   2 -16.841   8.103  -1.949
   14    HB1  ALA   2           HB1      ALA   2 -15.686   9.503  -4.362
   15    HB2  ALA   2           HB2      ALA   2 -17.205   8.610  -4.322
   16    HB3  ALA   2           HB3      ALA   2 -15.678   7.764  -4.071
   17    H    THR   3           HN       THR   3 -15.484   7.778  -0.345
   18    HA   THR   3           HA       THR   3 -13.092   9.327   0.041
   19    HB   THR   3           HB       THR   3 -13.967   6.784   1.352
   20    HG1  THR   3           HG1      THR   3 -15.636   8.203   1.537
   21   HG21  THR   3          HG21      THR   3 -12.260   9.088   2.334
   22   HG22  THR   3          HG22      THR   3 -11.664   7.494   1.867
   23   HG23  THR   3          HG23      THR   3 -12.694   7.670   3.288
   24    H    LEU   4           HN       LEU   4 -11.496   8.932  -1.414
   25    HA   LEU   4           HA       LEU   4 -11.018   6.205  -2.332
   26    HB2  LEU   4           HB2      LEU   4  -9.685   8.758  -3.258
   27    HB3  LEU   4           HB1      LEU   4  -9.550   7.182  -3.954
   28    HG   LEU   4           HG       LEU   4 -12.086   8.806  -3.953
   29   HD11  LEU   4          HD11      LEU   4 -10.389   9.710  -5.437
   30   HD12  LEU   4          HD12      LEU   4 -11.688   8.957  -6.362
   31   HD13  LEU   4          HD13      LEU   4 -10.149   8.119  -6.155
   32   HD21  LEU   4          HD21      LEU   4 -12.946   7.046  -5.436
   33   HD22  LEU   4          HD22      LEU   4 -12.534   6.398  -3.847
   34   HD23  LEU   4          HD23      LEU   4 -11.453   6.131  -5.214
   35    H    LEU   5           HN       LEU   5  -8.655   5.600  -2.536
   36    HA   LEU   5           HA       LEU   5  -7.426   5.811   0.065
   37    HB2  LEU   5           HB2      LEU   5  -7.577   3.767  -1.556
   38    HB3  LEU   5           HB1      LEU   5  -6.289   4.538  -2.435
   39    HG   LEU   5           HG       LEU   5  -5.477   2.728  -1.062
   40   HD11  LEU   5          HD11      LEU   5  -4.568   5.350   0.059
   41   HD12  LEU   5          HD12      LEU   5  -3.920   4.538  -1.368
   42   HD13  LEU   5          HD13      LEU   5  -3.726   3.810   0.231
   43   HD21  LEU   5          HD21      LEU   5  -5.541   2.814   1.364
   44   HD22  LEU   5          HD22      LEU   5  -7.147   2.715   0.637
   45   HD23  LEU   5          HD23      LEU   5  -6.557   4.250   1.271
   46    H    THR   6           HN       THR   6  -5.943   7.361   0.532
   47    HA   THR   6           HA       THR   6  -5.258   9.208  -1.560
   48    HB   THR   6           HB       THR   6  -4.292  10.583   0.237
   49    HG1  THR   6           HG1      THR   6  -5.228   8.676   2.142
   50   HG21  THR   6          HG21      THR   6  -7.040   9.505   0.893
   51   HG22  THR   6          HG22      THR   6  -6.683  10.793  -0.260
   52   HG23  THR   6          HG23      THR   6  -6.381  11.039   1.461
   53    H    THR   7           HN       THR   7  -3.014  10.054  -1.718
   54    HA   THR   7           HA       THR   7  -1.171   7.900  -1.958
   55    HB   THR   7           HB       THR   7  -0.883  10.896  -2.400
   56    HG1  THR   7           HG1      THR   7  -2.437   9.353  -3.726
   57   HG21  THR   7          HG21      THR   7   1.011  10.293  -3.817
   58   HG22  THR   7          HG22      THR   7   0.767   8.586  -3.415
   59   HG23  THR   7          HG23      THR   7   1.255   9.730  -2.160
   60    H    ASP   8           HN       ASP   8  -2.003  10.480   0.158
   61    HA   ASP   8           HA       ASP   8   0.348  10.617   1.717
   62    HB2  ASP   8           HB2      ASP   8  -2.482  11.427   2.341
   63    HB3  ASP   8           HB1      ASP   8  -1.156  11.645   3.478
   64    H    ASP   9           HN       ASP   9  -2.768   8.978   2.420
   65    HA   ASP   9           HA       ASP   9  -1.667   7.799   4.737
   66    HB2  ASP   9           HB2      ASP   9  -4.204   7.172   3.231
   67    HB3  ASP   9           HB1      ASP   9  -3.681   6.190   4.592
   68    H    LEU  10           HN       LEU  10  -1.719   6.783   1.431
   69    HA   LEU  10           HA       LEU  10  -0.898   4.102   1.833
   70    HB2  LEU  10           HB2      LEU  10  -1.559   5.439  -0.364
   71    HB3  LEU  10           HB1      LEU  10   0.154   5.769  -0.445
   72    HG   LEU  10           HG       LEU  10  -1.232   3.101  -0.657
   73   HD11  LEU  10          HD11      LEU  10  -1.344   4.418  -2.643
   74   HD12  LEU  10          HD12      LEU  10  -0.251   3.055  -2.883
   75   HD13  LEU  10          HD13      LEU  10   0.400   4.670  -2.616
   76   HD21  LEU  10          HD21      LEU  10   0.972   2.101  -1.060
   77   HD22  LEU  10          HD22      LEU  10   0.823   2.757   0.573
   78   HD23  LEU  10          HD23      LEU  10   1.734   3.642  -0.647
   79    H    ARG  11           HN       ARG  11   0.915   7.122   1.355
   80    HA   ARG  11           HA       ARG  11   3.507   6.178   1.710
   81    HB2  ARG  11           HB2      ARG  11   3.278   8.389   0.893
   82    HB3  ARG  11           HB1      ARG  11   2.228   8.865   2.214
   83    HG2  ARG  11           HG2      ARG  11   4.051   8.966   3.738
   84    HG3  ARG  11           HG1      ARG  11   5.131   8.178   2.588
   85    HD2  ARG  11           HD2      ARG  11   5.509  10.616   2.768
   86    HD3  ARG  11           HD1      ARG  11   5.084  10.096   1.146
   87    HE   ARG  11           HE       ARG  11   2.785  10.963   2.572
   88   HH11  ARG  11          HH11      ARG  11   5.761  12.341   1.292
   89   HH12  ARG  11          HH12      ARG  11   5.069  13.744   0.628
   90   HH21  ARG  11          HH21      ARG  11   1.713  13.004   1.613
   91   HH22  ARG  11          HH22      ARG  11   2.716  14.078   0.777
   92    H    ARG  12           HN       ARG  12   1.206   7.342   4.084
   93    HA   ARG  12           HA       ARG  12   2.782   7.102   6.388
   94    HB2  ARG  12           HB2      ARG  12  -0.201   6.814   6.062
   95    HB3  ARG  12           HB1      ARG  12   0.621   6.959   7.607
   96    HG2  ARG  12           HG2      ARG  12   1.363   9.176   7.069
   97    HG3  ARG  12           HG1      ARG  12   0.730   9.031   5.429
   98    HD2  ARG  12           HD2      ARG  12  -1.531   8.826   6.308
   99    HD3  ARG  12           HD1      ARG  12  -0.906   8.907   7.950
  100    HE   ARG  12           HE       ARG  12   0.010  11.178   6.934
  101   HH11  ARG  12          HH11      ARG  12  -3.251   9.741   6.642
  102   HH12  ARG  12          HH12      ARG  12  -4.055  11.221   6.733
  103   HH21  ARG  12          HH21      ARG  12  -1.144  13.241   7.032
  104   HH22  ARG  12          HH22      ARG  12  -2.837  13.241   6.978
  105    H    ALA  13           HN       ALA  13   0.819   4.706   4.708
  106    HA   ALA  13           HA       ALA  13   1.150   2.690   6.686
  107    HB1  ALA  13           HB1      ALA  13   0.413   2.410   3.775
  108    HB2  ALA  13           HB2      ALA  13  -0.717   2.674   5.102
  109    HB3  ALA  13           HB3      ALA  13   0.214   1.179   5.020
  110    H    LEU  14           HN       LEU  14   2.815   3.509   3.692
  111    HA   LEU  14           HA       LEU  14   4.567   1.321   3.624
  112    HB2  LEU  14           HB2      LEU  14   4.961   4.121   2.575
  113    HB3  LEU  14           HB1      LEU  14   6.026   2.776   2.222
  114    HG   LEU  14           HG       LEU  14   3.121   2.976   1.424
  115   HD11  LEU  14          HD11      LEU  14   4.556   4.499   0.190
  116   HD12  LEU  14          HD12      LEU  14   3.994   3.176  -0.833
  117   HD13  LEU  14          HD13      LEU  14   5.642   3.165  -0.202
  118   HD21  LEU  14          HD21      LEU  14   5.194   0.881   0.776
  119   HD22  LEU  14          HD22      LEU  14   3.560   0.960   0.112
  120   HD23  LEU  14          HD23      LEU  14   3.799   0.668   1.834
  121    H    VAL  15           HN       VAL  15   4.843   4.456   5.188
  122    HA   VAL  15           HA       VAL  15   7.429   4.367   6.186
  123    HB   VAL  15           HB       VAL  15   4.938   5.492   7.539
  124   HG11  VAL  15          HG11      VAL  15   6.701   5.154   9.203
  125   HG12  VAL  15          HG12      VAL  15   6.461   6.874   8.883
  126   HG13  VAL  15          HG13      VAL  15   7.841   6.032   8.183
  127   HG21  VAL  15          HG21      VAL  15   5.441   6.505   5.379
  128   HG22  VAL  15          HG22      VAL  15   7.094   6.829   5.907
  129   HG23  VAL  15          HG23      VAL  15   5.742   7.645   6.691
  130    H    GLU  16           HN       GLU  16   4.491   3.059   7.680
  131    HA   GLU  16           HA       GLU  16   5.537   1.981  10.040
  132    HB2  GLU  16           HB2      GLU  16   3.303   0.886   8.334
  133    HB3  GLU  16           HB1      GLU  16   3.609   0.470  10.009
  134    HG2  GLU  16           HG2      GLU  16   2.870   3.193   8.988
  135    HG3  GLU  16           HG1      GLU  16   1.768   2.039   9.733
  136    H    SER  17           HN       SER  17   5.483   0.706   6.784
  137    HA   SER  17           HA       SER  17   6.327  -1.898   7.681
  138    HB2  SER  17           HB2      SER  17   4.639  -1.579   5.857
  139    HB3  SER  17           HB1      SER  17   5.940  -0.950   4.840
  140    HG   SER  17           HG       SER  17   5.983  -3.417   6.157
  141    H    ALA  18           HN       ALA  18   7.782   0.965   6.455
  142    HA   ALA  18           HA       ALA  18  10.202  -0.479   5.710
  143    HB1  ALA  18           HB1      ALA  18   9.561   2.454   5.437
  144    HB2  ALA  18           HB2      ALA  18   9.370   1.238   4.174
  145    HB3  ALA  18           HB3      ALA  18  10.978   1.631   4.781
  146    H    GLY  19           HN       GLY  19   9.413   2.390   7.663
  147    HA2  GLY  19           HA2      GLY  19  10.485   2.163   9.976
  148    HA3  GLY  19           HA1      GLY  19  11.973   2.095   9.026
  149    H    GLU  20           HN       GLU  20  12.862   3.921   8.329
  150    HA   GLU  20           HA       GLU  20  11.293   6.327   8.106
  151    HB2  GLU  20           HB2      GLU  20  13.627   6.198  10.025
  152    HB3  GLU  20           HB1      GLU  20  12.984   7.701   9.393
  153    HG2  GLU  20           HG2      GLU  20  10.781   7.065  10.399
  154    HG3  GLU  20           HG1      GLU  20  11.609   5.718  11.176
  155    H    THR  21           HN       THR  21  11.703   6.040   5.940
  156    HA   THR  21           HA       THR  21  12.683   6.559   4.011
  157    HB   THR  21           HB       THR  21  14.842   8.059   5.552
  158    HG1  THR  21           HG1      THR  21  12.186   8.337   5.623
  159   HG21  THR  21          HG21      THR  21  13.452   8.594   2.901
  160   HG22  THR  21          HG22      THR  21  15.077   7.933   3.076
  161   HG23  THR  21          HG23      THR  21  14.734   9.579   3.610
  162    H    ASP  22           HN       ASP  22  13.227   4.115   5.121
  163    HA   ASP  22           HA       ASP  22  16.001   3.382   4.813
  164    HB2  ASP  22           HB2      ASP  22  13.486   1.673   4.943
  165    HB3  ASP  22           HB1      ASP  22  15.123   1.037   4.939
  166    H    GLY  23           HN       GLY  23  15.996   4.540   2.702
  167    HA2  GLY  23           HA2      GLY  23  16.302   4.381   0.382
  168    HA3  GLY  23           HA1      GLY  23  15.786   2.697   0.473
  169    H    THR  24           HN       THR  24  13.490   4.142   2.029
  170    HA   THR  24           HA       THR  24  11.692   4.163  -0.220
  171    HB   THR  24           HB       THR  24  10.082   4.162   1.849
  172    HG1  THR  24           HG1      THR  24  12.161   2.752   3.024
  173   HG21  THR  24          HG21      THR  24  10.263   1.708   1.921
  174   HG22  THR  24          HG22      THR  24  11.785   1.809   1.023
  175   HG23  THR  24          HG23      THR  24  10.268   2.355   0.281
  176    H    ASP  25           HN       ASP  25  12.197   6.338  -0.932
  177    HA   ASP  25           HA       ASP  25  11.098   8.353   0.867
  178    HB2  ASP  25           HB2      ASP  25  13.194   9.085  -0.109
  179    HB3  ASP  25           HB1      ASP  25  12.598   8.731  -1.734
  180    H    LEU  26           HN       LEU  26   9.115   8.898   0.680
  181    HA   LEU  26           HA       LEU  26   7.713   8.186  -1.809
  182    HB2  LEU  26           HB2      LEU  26   6.619   8.138   1.018
  183    HB3  LEU  26           HB1      LEU  26   5.703   7.788  -0.424
  184    HG   LEU  26           HG       LEU  26   6.080   5.715   0.487
  185   HD11  LEU  26          HD11      LEU  26   8.281   6.024  -1.509
  186   HD12  LEU  26          HD12      LEU  26   6.589   5.632  -1.821
  187   HD13  LEU  26          HD13      LEU  26   7.610   4.490  -0.949
  188   HD21  LEU  26          HD21      LEU  26   8.956   6.437   1.057
  189   HD22  LEU  26          HD22      LEU  26   8.226   4.866   1.348
  190   HD23  LEU  26          HD23      LEU  26   7.657   6.280   2.241
  191    H    SER  27           HN       SER  27   8.991  10.713  -1.030
  192    HA   SER  27           HA       SER  27   6.950  12.543  -0.269
  193    HB2  SER  27           HB2      SER  27   9.612  13.023  -1.453
  194    HB3  SER  27           HB1      SER  27   8.640  14.244  -0.619
  195    HG   SER  27           HG       SER  27  10.189  12.172   0.364
  196    H    GLY  28           HN       GLY  28   5.274  12.643  -1.689
  197    HA2  GLY  28           HA2      GLY  28   4.529  14.161  -3.443
  198    HA3  GLY  28           HA1      GLY  28   5.922  13.631  -4.385
  199    H    ASP  29           HN       ASP  29   5.739  11.901  -5.646
  200    HA   ASP  29           HA       ASP  29   3.469  10.143  -5.201
  201    HB2  ASP  29           HB2      ASP  29   2.967   9.997  -7.570
  202    HB3  ASP  29           HB1      ASP  29   2.901  11.685  -7.089
  203    H    PHE  30           HN       PHE  30   3.833   8.035  -5.697
  204    HA   PHE  30           HA       PHE  30   6.560   7.248  -6.401
  205    HB2  PHE  30           HB2      PHE  30   6.525   5.739  -4.357
  206    HB3  PHE  30           HB1      PHE  30   6.728   7.455  -4.042
  207    HD1  PHE  30           HD1      PHE  30   4.427   4.614  -3.818
  208    HD2  PHE  30           HD2      PHE  30   5.036   8.702  -2.857
  209    HE1  PHE  30           HE1      PHE  30   2.507   4.534  -2.288
  210    HE2  PHE  30           HE2      PHE  30   3.126   8.628  -1.320
  211    HZ   PHE  30           HZ       PHE  30   1.869   6.596  -1.016
  212    H    LEU  31           HN       LEU  31   4.070   7.019  -7.779
  213    HA   LEU  31           HA       LEU  31   2.988   4.399  -7.240
  214    HB2  LEU  31           HB2      LEU  31   2.252   6.533  -9.206
  215    HB3  LEU  31           HB1      LEU  31   1.564   4.932  -9.291
  216    HG   LEU  31           HG       LEU  31   0.596   5.265  -7.026
  217   HD11  LEU  31          HD11      LEU  31   0.473   7.505  -6.080
  218   HD12  LEU  31          HD12      LEU  31   1.561   8.104  -7.333
  219   HD13  LEU  31          HD13      LEU  31   2.141   6.931  -6.148
  220   HD21  LEU  31          HD21      LEU  31  -0.707   5.645  -9.027
  221   HD22  LEU  31          HD22      LEU  31  -0.133   7.312  -9.108
  222   HD23  LEU  31          HD23      LEU  31  -1.157   6.793  -7.768
  223    H    ASP  32           HN       ASP  32   5.100   5.855  -9.597
  224    HA   ASP  32           HA       ASP  32   4.876   3.543 -11.343
  225    HB2  ASP  32           HB2      ASP  32   6.357   4.685 -12.919
  226    HB3  ASP  32           HB1      ASP  32   5.055   5.749 -12.426
  227    H    LEU  33           HN       LEU  33   6.421   4.005  -8.637
  228    HA   LEU  33           HA       LEU  33   8.949   2.724  -9.180
  229    HB2  LEU  33           HB2      LEU  33   7.389   3.016  -6.639
  230    HB3  LEU  33           HB1      LEU  33   9.064   2.502  -6.729
  231    HG   LEU  33           HG       LEU  33   7.966   5.242  -7.345
  232   HD11  LEU  33          HD11      LEU  33   9.812   4.259  -5.178
  233   HD12  LEU  33          HD12      LEU  33   8.128   4.742  -4.978
  234   HD13  LEU  33          HD13      LEU  33   9.339   5.937  -5.445
  235   HD21  LEU  33          HD21      LEU  33   9.787   4.712  -8.887
  236   HD22  LEU  33          HD22      LEU  33  10.815   4.250  -7.529
  237   HD23  LEU  33          HD23      LEU  33  10.292   5.926  -7.711
  238    H    ARG  34           HN       ARG  34   9.371   0.550  -8.122
  239    HA   ARG  34           HA       ARG  34   6.954  -1.146  -8.132
  240    HB2  ARG  34           HB2      ARG  34   9.846  -1.939  -8.522
  241    HB3  ARG  34           HB1      ARG  34   8.465  -3.013  -8.567
  242    HG2  ARG  34           HG2      ARG  34   7.723  -2.112 -10.622
  243    HG3  ARG  34           HG1      ARG  34   8.867  -0.765 -10.513
  244    HD2  ARG  34           HD2      ARG  34   9.591  -3.683 -10.754
  245    HD3  ARG  34           HD1      ARG  34   9.684  -2.481 -12.047
  246    HE   ARG  34           HE       ARG  34  11.140  -1.389 -10.039
  247   HH11  ARG  34          HH11      ARG  34  11.346  -4.562 -11.606
  248   HH12  ARG  34          HH12      ARG  34  13.042  -4.684 -11.462
  249   HH21  ARG  34          HH21      ARG  34  13.434  -1.537  -9.859
  250   HH22  ARG  34          HH22      ARG  34  14.283  -2.861 -10.520
  251    H    PHE  35           HN       PHE  35   6.945  -2.777  -6.435
  252    HA   PHE  35           HA       PHE  35   8.073  -1.825  -4.027
  253    HB2  PHE  35           HB2      PHE  35   6.516  -4.302  -4.703
  254    HB3  PHE  35           HB1      PHE  35   7.204  -4.077  -3.098
  255    HD1  PHE  35           HD1      PHE  35   6.699  -1.553  -2.168
  256    HD2  PHE  35           HD2      PHE  35   4.332  -3.744  -4.936
  257    HE1  PHE  35           HE1      PHE  35   4.734  -0.214  -1.554
  258    HE2  PHE  35           HE2      PHE  35   2.364  -2.407  -4.330
  259    HZ   PHE  35           HZ       PHE  35   2.625  -0.576  -2.574
  260    H    GLU  36           HN       GLU  36   9.133  -4.037  -6.450
  261    HA   GLU  36           HA       GLU  36  11.218  -5.311  -5.082
  262    HB2  GLU  36           HB2      GLU  36  11.208  -4.346  -7.957
  263    HB3  GLU  36           HB1      GLU  36  12.335  -5.506  -7.275
  264    HG2  GLU  36           HG2      GLU  36  10.459  -7.038  -6.857
  265    HG3  GLU  36           HG1      GLU  36   9.368  -5.879  -7.615
  266    H    ASP  37           HN       ASP  37  10.967  -2.090  -6.457
  267    HA   ASP  37           HA       ASP  37  13.732  -1.398  -6.310
  268    HB2  ASP  37           HB2      ASP  37  11.292   0.376  -6.454
  269    HB3  ASP  37           HB1      ASP  37  12.946   0.957  -6.540
  270    H    ILE  38           HN       ILE  38  10.956  -0.787  -4.265
  271    HA   ILE  38           HA       ILE  38  12.700   0.561  -2.413
  272    HB   ILE  38           HB       ILE  38  10.563   1.097  -1.150
  273   HG12  ILE  38          HG12      ILE  38   9.357   0.125  -3.758
  274   HG13  ILE  38          HG11      ILE  38   9.116  -0.600  -2.178
  275   HG21  ILE  38          HG21      ILE  38  10.058   2.946  -2.708
  276   HG22  ILE  38          HG22      ILE  38  11.009   2.117  -3.945
  277   HG23  ILE  38          HG23      ILE  38  11.793   2.701  -2.480
  278   HD11  ILE  38          HD11      ILE  38   7.188   0.718  -2.851
  279   HD12  ILE  38          HD12      ILE  38   8.209   2.148  -3.017
  280   HD13  ILE  38          HD13      ILE  38   7.956   1.424  -1.428
  281    H    GLY  39           HN       GLY  39  12.248  -2.462  -2.773
  282    HA2  GLY  39           HA2      GLY  39  13.027  -4.179  -1.422
  283    HA3  GLY  39           HA1      GLY  39  13.293  -2.991  -0.159
  284    H    TYR  40           HN       TYR  40  10.376  -4.107  -1.817
  285    HA   TYR  40           HA       TYR  40   9.296  -4.818   0.819
  286    HB2  TYR  40           HB2      TYR  40   8.017  -3.613  -1.589
  287    HB3  TYR  40           HB1      TYR  40   7.049  -4.526  -0.447
  288    HD1  TYR  40           HD1      TYR  40   9.395  -1.664  -0.691
  289    HD2  TYR  40           HD2      TYR  40   6.159  -3.415   1.397
  290    HE1  TYR  40           HE1      TYR  40   9.145   0.383   0.615
  291    HE2  TYR  40           HE2      TYR  40   5.889  -1.387   2.723
  292    HH   TYR  40           HH       TYR  40   7.246   0.607   3.413
  293    H    ASP  41           HN       ASP  41   7.933  -6.604   0.932
  294    HA   ASP  41           HA       ASP  41   7.755  -8.393  -1.355
  295    HB2  ASP  41           HB2      ASP  41   8.640  -9.169   1.444
  296    HB3  ASP  41           HB1      ASP  41   7.891 -10.323   0.359
  297    H    SER  42           HN       SER  42   6.158 -10.262  -0.357
  298    HA   SER  42           HA       SER  42   3.714  -9.029  -0.315
  299    HB2  SER  42           HB2      SER  42   3.077 -11.425   0.577
  300    HB3  SER  42           HB1      SER  42   3.659 -11.173  -1.084
  301    H    LEU  43           HN       LEU  43   5.509 -10.336   2.526
  302    HA   LEU  43           HA       LEU  43   3.452  -9.846   4.371
  303    HB2  LEU  43           HB2      LEU  43   5.407 -11.253   4.882
  304    HB3  LEU  43           HB1      LEU  43   6.434  -9.841   4.868
  305    HG   LEU  43           HG       LEU  43   4.189 -10.011   6.874
  306   HD11  LEU  43          HD11      LEU  43   5.402 -12.134   6.938
  307   HD12  LEU  43          HD12      LEU  43   5.701 -11.172   8.390
  308   HD13  LEU  43          HD13      LEU  43   6.925 -11.264   7.114
  309   HD21  LEU  43          HD21      LEU  43   6.971  -8.829   6.972
  310   HD22  LEU  43          HD22      LEU  43   5.744  -8.706   8.234
  311   HD23  LEU  43          HD23      LEU  43   5.488  -7.921   6.675
  312    H    ALA  44           HN       ALA  44   6.102  -7.780   3.355
  313    HA   ALA  44           HA       ALA  44   5.565  -5.577   4.978
  314    HB1  ALA  44           HB1      ALA  44   7.607  -5.819   3.655
  315    HB2  ALA  44           HB2      ALA  44   6.810  -4.283   3.317
  316    HB3  ALA  44           HB3      ALA  44   6.676  -5.617   2.170
  317    H    LEU  45           HN       LEU  45   4.178  -6.606   1.951
  318    HA   LEU  45           HA       LEU  45   2.660  -4.249   1.523
  319    HB2  LEU  45           HB2      LEU  45   2.306  -7.011   0.387
  320    HB3  LEU  45           HB1      LEU  45   1.510  -5.561  -0.206
  321    HG   LEU  45           HG       LEU  45   4.475  -6.079  -0.210
  322   HD11  LEU  45          HD11      LEU  45   4.265  -6.085  -2.607
  323   HD12  LEU  45          HD12      LEU  45   2.515  -5.896  -2.467
  324   HD13  LEU  45          HD13      LEU  45   3.296  -7.375  -1.885
  325   HD21  LEU  45          HD21      LEU  45   2.899  -3.728  -1.211
  326   HD22  LEU  45          HD22      LEU  45   4.629  -3.989  -1.450
  327   HD23  LEU  45          HD23      LEU  45   3.987  -3.747   0.176
  328    H    MET  46           HN       MET  46   2.036  -7.297   3.101
  329    HA   MET  46           HA       MET  46  -0.740  -6.947   3.641
  330    HB2  MET  46           HB2      MET  46   1.219  -8.274   5.528
  331    HB3  MET  46           HB1      MET  46  -0.491  -8.612   5.351
  332    HG2  MET  46           HG2      MET  46   1.630  -9.206   3.320
  333    HG3  MET  46           HG1      MET  46   0.963 -10.364   4.458
  334    HE1  MET  46           HE1      MET  46   1.221 -10.637   1.289
  335    HE2  MET  46           HE2      MET  46  -0.302 -11.452   0.934
  336    HE3  MET  46           HE3      MET  46   0.634 -11.915   2.354
  337    H    GLU  47           HN       GLU  47   2.202  -6.246   5.406
  338    HA   GLU  47           HA       GLU  47   1.206  -5.094   7.720
  339    HB2  GLU  47           HB2      GLU  47   3.502  -5.899   7.354
  340    HB3  GLU  47           HB1      GLU  47   3.789  -4.593   6.227
  341    HG2  GLU  47           HG2      GLU  47   3.654  -2.978   8.012
  342    HG3  GLU  47           HG1      GLU  47   3.173  -4.268   9.125
  343    H    THR  48           HN       THR  48   2.081  -3.633   4.644
  344    HA   THR  48           HA       THR  48   1.482  -0.925   5.232
  345    HB   THR  48           HB       THR  48   1.449  -2.486   2.630
  346    HG1  THR  48           HG1      THR  48   3.492  -2.473   3.593
  347   HG21  THR  48          HG21      THR  48   1.547   0.515   3.057
  348   HG22  THR  48          HG22      THR  48   0.194  -0.397   2.383
  349   HG23  THR  48          HG23      THR  48   1.720  -0.308   1.505
  350    H    ALA  49           HN       ALA  49  -0.452  -3.427   3.465
  351    HA   ALA  49           HA       ALA  49  -2.688  -1.902   3.006
  352    HB1  ALA  49           HB1      ALA  49  -3.817  -4.004   2.562
  353    HB2  ALA  49           HB2      ALA  49  -2.517  -4.888   3.366
  354    HB3  ALA  49           HB3      ALA  49  -2.194  -4.009   1.868
  355    H    ALA  50           HN       ALA  50  -1.905  -4.013   5.714
  356    HA   ALA  50           HA       ALA  50  -4.277  -4.186   7.046
  357    HB1  ALA  50           HB1      ALA  50  -1.569  -3.842   8.309
  358    HB2  ALA  50           HB2      ALA  50  -2.224  -5.353   7.677
  359    HB3  ALA  50           HB3      ALA  50  -2.988  -4.571   9.058
  360    H    ARG  51           HN       ARG  51  -2.004  -1.492   7.166
  361    HA   ARG  51           HA       ARG  51  -3.388  -0.149   9.269
  362    HB2  ARG  51           HB2      ARG  51  -0.951   0.208   8.705
  363    HB3  ARG  51           HB1      ARG  51  -1.475   1.090   7.273
  364    HG2  ARG  51           HG2      ARG  51  -2.658   2.684   8.686
  365    HG3  ARG  51           HG1      ARG  51  -2.141   1.786  10.110
  366    HD2  ARG  51           HD2      ARG  51   0.203   2.257   9.488
  367    HD3  ARG  51           HD1      ARG  51  -0.381   3.283   8.171
  368    HE   ARG  51           HE       ARG  51  -1.549   3.918  10.711
  369   HH11  ARG  51          HH11      ARG  51   1.364   4.663   8.775
  370   HH12  ARG  51          HH12      ARG  51   1.709   6.046   9.687
  371   HH21  ARG  51          HH21      ARG  51  -1.022   5.808  11.892
  372   HH22  ARG  51          HH22      ARG  51   0.367   6.691  11.509
  373    H    LEU  52           HN       LEU  52  -3.428  -0.031   5.787
  374    HA   LEU  52           HA       LEU  52  -5.162   2.231   5.614
  375    HB2  LEU  52           HB2      LEU  52  -4.371   0.185   3.547
  376    HB3  LEU  52           HB1      LEU  52  -5.315   1.626   3.209
  377    HG   LEU  52           HG       LEU  52  -2.483   1.596   4.250
  378   HD11  LEU  52          HD11      LEU  52  -2.644   0.891   1.918
  379   HD12  LEU  52          HD12      LEU  52  -1.895   2.482   2.068
  380   HD13  LEU  52          HD13      LEU  52  -3.578   2.345   1.554
  381   HD21  LEU  52          HD21      LEU  52  -3.757   3.496   5.071
  382   HD22  LEU  52          HD22      LEU  52  -4.265   3.873   3.424
  383   HD23  LEU  52          HD23      LEU  52  -2.565   4.004   3.873
  384    H    GLU  53           HN       GLU  53  -5.584  -1.260   5.350
  385    HA   GLU  53           HA       GLU  53  -8.260  -1.442   4.756
  386    HB2  GLU  53           HB2      GLU  53  -6.618  -3.143   6.631
  387    HB3  GLU  53           HB1      GLU  53  -8.211  -3.595   6.029
  388    HG2  GLU  53           HG2      GLU  53  -7.202  -3.605   3.728
  389    HG3  GLU  53           HG1      GLU  53  -5.663  -3.244   4.486
  390    H    SER  54           HN       SER  54  -6.672  -1.135   7.872
  391    HA   SER  54           HA       SER  54  -8.934  -1.179   9.502
  392    HB2  SER  54           HB2      SER  54  -6.639  -1.574  10.309
  393    HB3  SER  54           HB1      SER  54  -6.232   0.107   9.982
  394    HG   SER  54           HG       SER  54  -7.381  -0.996  12.134
  395    H    ARG  55           HN       ARG  55  -7.278   1.542   7.928
  396    HA   ARG  55           HA       ARG  55  -8.916   3.464   9.303
  397    HB2  ARG  55           HB2      ARG  55  -6.617   4.039   8.920
  398    HB3  ARG  55           HB1      ARG  55  -6.792   3.806   7.190
  399    HG2  ARG  55           HG2      ARG  55  -8.086   5.777   6.958
  400    HG3  ARG  55           HG1      ARG  55  -8.325   5.907   8.704
  401    HD2  ARG  55           HD2      ARG  55  -5.654   6.136   7.319
  402    HD3  ARG  55           HD1      ARG  55  -6.649   7.508   7.808
  403    HE   ARG  55           HE       ARG  55  -6.365   5.948  10.051
  404   HH11  ARG  55          HH11      ARG  55  -4.045   7.671   7.898
  405   HH12  ARG  55          HH12      ARG  55  -2.987   8.006   9.200
  406   HH21  ARG  55          HH21      ARG  55  -4.813   6.488  11.766
  407   HH22  ARG  55          HH22      ARG  55  -3.432   7.380  11.372
  408    H    TYR  56           HN       TYR  56  -8.868   2.075   6.065
  409    HA   TYR  56           HA       TYR  56 -10.906   3.964   5.252
  410    HB2  TYR  56           HB2      TYR  56  -9.250   1.977   3.740
  411    HB3  TYR  56           HB1      TYR  56 -10.608   2.817   3.006
  412    HD1  TYR  56           HD1      TYR  56  -7.217   3.242   4.404
  413    HD2  TYR  56           HD2      TYR  56 -10.487   5.122   2.448
  414    HE1  TYR  56           HE1      TYR  56  -5.771   5.148   3.821
  415    HE2  TYR  56           HE2      TYR  56  -9.064   7.017   1.861
  416    HH   TYR  56           HH       TYR  56  -7.036   8.035   2.794
  417    H    GLY  57           HN       GLY  57 -10.957   1.087   6.794
  418    HA2  GLY  57           HA2      GLY  57 -12.726  -0.290   7.334
  419    HA3  GLY  57           HA1      GLY  57 -13.763   0.815   6.448
  420    H    VAL  58           HN       VAL  58 -11.035  -1.079   5.267
  421    HA   VAL  58           HA       VAL  58 -12.919  -2.552   3.578
  422    HB   VAL  58           HB       VAL  58 -11.315  -2.608   1.729
  423   HG11  VAL  58          HG11      VAL  58 -11.367  -0.287   1.034
  424   HG12  VAL  58          HG12      VAL  58 -11.697   0.192   2.694
  425   HG13  VAL  58          HG13      VAL  58 -12.903  -0.750   1.795
  426   HG21  VAL  58          HG21      VAL  58  -9.580  -0.799   3.398
  427   HG22  VAL  58          HG22      VAL  58  -9.270  -1.285   1.728
  428   HG23  VAL  58          HG23      VAL  58  -9.233  -2.491   3.019
  429    H    SER  59           HN       SER  59 -11.709  -4.529   2.596
  430    HA   SER  59           HA       SER  59  -9.783  -5.664   4.435
  431    HB2  SER  59           HB2      SER  59 -12.022  -6.503   5.129
  432    HB3  SER  59           HB1      SER  59 -12.321  -7.037   3.478
  433    HG   SER  59           HG       SER  59 -11.397  -8.492   5.284
  434    H    ILE  60           HN       ILE  60  -8.188  -6.439   3.250
  435    HA   ILE  60           HA       ILE  60  -8.682  -6.811   0.383
  436    HB   ILE  60           HB       ILE  60  -6.079  -6.203   1.825
  437   HG12  ILE  60          HG12      ILE  60  -7.826  -4.461   0.072
  438   HG13  ILE  60          HG11      ILE  60  -7.667  -4.328   1.817
  439   HG21  ILE  60          HG21      ILE  60  -6.672  -6.387  -1.135
  440   HG22  ILE  60          HG22      ILE  60  -5.711  -7.534  -0.202
  441   HG23  ILE  60          HG23      ILE  60  -5.138  -5.880  -0.427
  442   HD11  ILE  60          HD11      ILE  60  -6.403  -2.639   0.673
  443   HD12  ILE  60          HD12      ILE  60  -5.500  -3.872  -0.205
  444   HD13  ILE  60          HD13      ILE  60  -5.323  -3.723   1.551
  445    HA   PRO  61           HA       PRO  61  -8.145 -11.211   0.983
  446    HB2  PRO  61           HB2      PRO  61  -7.156 -10.974  -1.821
  447    HB3  PRO  61           HB1      PRO  61  -8.365 -12.077  -1.156
  448    HG2  PRO  61           HG2      PRO  61  -9.114 -10.001  -2.624
  449    HG3  PRO  61           HG1      PRO  61 -10.036 -10.467  -1.182
  450    HD2  PRO  61           HD2      PRO  61  -8.127  -8.206  -1.562
  451    HD3  PRO  61           HD1      PRO  61  -9.629  -8.270  -0.617
  452    H    ASP  62           HN       ASP  62  -6.465 -12.156   1.825
  453    HA   ASP  62           HA       ASP  62  -3.989 -10.965   2.208
  454    HB2  ASP  62           HB2      ASP  62  -4.779 -13.863   2.516
  455    HB3  ASP  62           HB1      ASP  62  -3.227 -13.217   3.031
  456    H    ASP  63           HN       ASP  63  -4.885 -13.386  -0.176
  457    HA   ASP  63           HA       ASP  63  -2.199 -13.808  -1.063
  458    HB2  ASP  63           HB2      ASP  63  -3.964 -15.475  -1.393
  459    HB3  ASP  63           HB1      ASP  63  -4.801 -14.382  -2.484
  460    H    VAL  64           HN       VAL  64  -4.676 -11.555  -1.870
  461    HA   VAL  64           HA       VAL  64  -3.465 -10.703  -4.351
  462    HB   VAL  64           HB       VAL  64  -5.855  -9.606  -2.832
  463   HG11  VAL  64          HG11      VAL  64  -6.422  -8.407  -4.894
  464   HG12  VAL  64          HG12      VAL  64  -4.916  -8.961  -5.626
  465   HG13  VAL  64          HG13      VAL  64  -4.873  -7.870  -4.244
  466   HG21  VAL  64          HG21      VAL  64  -5.691 -11.369  -5.273
  467   HG22  VAL  64          HG22      VAL  64  -7.176 -10.718  -4.572
  468   HG23  VAL  64          HG23      VAL  64  -6.198 -11.863  -3.656
  469    H    ALA  65           HN       ALA  65  -3.696  -9.592  -1.037
  470    HA   ALA  65           HA       ALA  65  -2.819  -6.961  -1.258
  471    HB1  ALA  65           HB1      ALA  65  -3.726  -7.959   0.801
  472    HB2  ALA  65           HB2      ALA  65  -2.192  -7.120   1.074
  473    HB3  ALA  65           HB3      ALA  65  -2.227  -8.878   0.981
  474    H    GLY  66           HN       GLY  66  -0.923  -9.915  -1.078
  475    HA2  GLY  66           HA2      GLY  66   1.542  -8.334  -1.167
  476    HA3  GLY  66           HA1      GLY  66   1.424 -10.058  -0.855
  477    H    ARG  67           HN       ARG  67  -0.435  -8.878  -3.514
  478    HA   ARG  67           HA       ARG  67   1.457 -10.199  -5.320
  479    HB2  ARG  67           HB2      ARG  67  -0.865 -11.084  -4.998
  480    HB3  ARG  67           HB1      ARG  67  -1.467  -9.586  -5.683
  481    HG2  ARG  67           HG2      ARG  67  -0.116 -10.146  -7.738
  482    HG3  ARG  67           HG1      ARG  67   0.104 -11.748  -7.020
  483    HD2  ARG  67           HD2      ARG  67  -1.804 -11.770  -8.515
  484    HD3  ARG  67           HD1      ARG  67  -2.337 -11.978  -6.843
  485    HE   ARG  67           HE       ARG  67  -2.306  -9.246  -7.669
  486   HH11  ARG  67          HH11      ARG  67  -4.373 -12.146  -7.446
  487   HH12  ARG  67          HH12      ARG  67  -5.784 -11.264  -7.872
  488   HH21  ARG  67          HH21      ARG  67  -4.223  -8.159  -8.199
  489   HH22  ARG  67          HH22      ARG  67  -5.728  -9.019  -8.283
  490    H    VAL  68           HN       VAL  68   0.463  -7.179  -4.325
  491    HA   VAL  68           HA       VAL  68   0.135  -5.898  -6.845
  492    HB   VAL  68           HB       VAL  68   0.286  -3.742  -5.556
  493   HG11  VAL  68          HG11      VAL  68  -1.597  -5.830  -4.470
  494   HG12  VAL  68          HG12      VAL  68  -1.842  -4.846  -5.913
  495   HG13  VAL  68          HG13      VAL  68  -1.799  -4.084  -4.322
  496   HG21  VAL  68          HG21      VAL  68   0.300  -3.838  -3.109
  497   HG22  VAL  68          HG22      VAL  68   1.803  -4.473  -3.772
  498   HG23  VAL  68          HG23      VAL  68   0.565  -5.579  -3.174
  499    H    ASP  69           HN       ASP  69   1.539  -5.290  -8.227
  500    HA   ASP  69           HA       ASP  69   4.339  -5.679  -7.861
  501    HB2  ASP  69           HB2      ASP  69   2.765  -4.487 -10.135
  502    HB3  ASP  69           HB1      ASP  69   4.518  -4.615 -10.154
  503    H    THR  70           HN       THR  70   2.552  -2.726  -8.704
  504    HA   THR  70           HA       THR  70   4.814  -1.174  -7.718
  505    HB   THR  70           HB       THR  70   3.734   0.645  -9.054
  506    HG1  THR  70           HG1      THR  70   2.222  -0.970 -10.603
  507   HG21  THR  70          HG21      THR  70   5.524  -0.720 -10.050
  508   HG22  THR  70          HG22      THR  70   4.328  -0.268 -11.266
  509   HG23  THR  70          HG23      THR  70   4.327  -1.898 -10.593
  510    HA   PRO  71           HA       PRO  71   2.248   0.536  -4.399
  511    HB2  PRO  71           HB2      PRO  71   3.238   3.186  -5.360
  512    HB3  PRO  71           HB1      PRO  71   3.255   2.515  -3.722
  513    HG2  PRO  71           HG2      PRO  71   5.494   2.617  -5.114
  514    HG3  PRO  71           HG1      PRO  71   5.110   1.170  -4.159
  515    HD2  PRO  71           HD2      PRO  71   4.857   1.614  -7.108
  516    HD3  PRO  71           HD1      PRO  71   5.461   0.190  -6.231
  517    H    ARG  72           HN       ARG  72   2.294   1.853  -7.630
  518    HA   ARG  72           HA       ARG  72  -0.176   3.193  -7.659
  519    HB2  ARG  72           HB2      ARG  72   1.373   3.347  -9.532
  520    HB3  ARG  72           HB1      ARG  72   1.185   1.635  -9.865
  521    HG2  ARG  72           HG2      ARG  72  -1.108   1.974 -10.530
  522    HG3  ARG  72           HG1      ARG  72  -1.014   3.680 -10.080
  523    HD2  ARG  72           HD2      ARG  72   0.729   2.380 -12.158
  524    HD3  ARG  72           HD1      ARG  72  -0.770   3.233 -12.522
  525    HE   ARG  72           HE       ARG  72   0.471   5.126 -11.237
  526   HH11  ARG  72          HH11      ARG  72   2.038   2.832 -13.426
  527   HH12  ARG  72          HH12      ARG  72   3.009   4.007 -14.190
  528   HH21  ARG  72          HH21      ARG  72   1.917   6.743 -12.206
  529   HH22  ARG  72          HH22      ARG  72   2.947   6.269 -13.466
  530    H    GLU  73           HN       GLU  73   0.573  -0.214  -8.417
  531    HA   GLU  73           HA       GLU  73  -2.034  -1.107  -8.794
  532    HB2  GLU  73           HB2      GLU  73   0.426  -2.525  -7.815
  533    HB3  GLU  73           HB1      GLU  73  -1.107  -3.358  -8.000
  534    HG2  GLU  73           HG2      GLU  73   0.412  -1.943 -10.168
  535    HG3  GLU  73           HG1      GLU  73   0.317  -3.691  -9.923
  536    H    LEU  74           HN       LEU  74  -0.167  -0.847  -5.834
  537    HA   LEU  74           HA       LEU  74  -2.077  -2.043  -4.128
  538    HB2  LEU  74           HB2      LEU  74   0.344  -1.643  -3.576
  539    HB3  LEU  74           HB1      LEU  74   0.001   0.059  -3.431
  540    HG   LEU  74           HG       LEU  74   0.302  -1.175  -1.265
  541   HD11  LEU  74          HD11      LEU  74  -1.561  -0.156  -0.073
  542   HD12  LEU  74          HD12      LEU  74  -2.380   0.137  -1.607
  543   HD13  LEU  74          HD13      LEU  74  -0.853   0.947  -1.254
  544   HD21  LEU  74          HD21      LEU  74  -2.335  -2.439  -1.994
  545   HD22  LEU  74          HD22      LEU  74  -1.545  -2.550  -0.423
  546   HD23  LEU  74          HD23      LEU  74  -0.784  -3.263  -1.847
  547    H    LEU  75           HN       LEU  75  -1.470   1.334  -4.977
  548    HA   LEU  75           HA       LEU  75  -3.453   2.567  -3.456
  549    HB2  LEU  75           HB2      LEU  75  -1.660   3.769  -4.617
  550    HB3  LEU  75           HB1      LEU  75  -2.366   3.348  -6.163
  551    HG   LEU  75           HG       LEU  75  -4.377   4.691  -5.552
  552   HD11  LEU  75          HD11      LEU  75  -4.175   4.563  -3.162
  553   HD12  LEU  75          HD12      LEU  75  -4.236   6.237  -3.702
  554   HD13  LEU  75          HD13      LEU  75  -2.696   5.525  -3.206
  555   HD21  LEU  75          HD21      LEU  75  -1.752   6.161  -5.480
  556   HD22  LEU  75          HD22      LEU  75  -3.323   6.865  -5.869
  557   HD23  LEU  75          HD23      LEU  75  -2.614   5.644  -6.927
  558    H    ASP  76           HN       ASP  76  -3.525   1.388  -6.781
  559    HA   ASP  76           HA       ASP  76  -6.171   2.180  -7.350
  560    HB2  ASP  76           HB2      ASP  76  -4.433   1.636  -9.055
  561    HB3  ASP  76           HB1      ASP  76  -4.646  -0.068  -8.658
  562    H    LEU  77           HN       LEU  77  -4.788  -0.821  -6.170
  563    HA   LEU  77           HA       LEU  77  -6.971  -2.516  -6.309
  564    HB2  LEU  77           HB2      LEU  77  -4.727  -3.238  -5.692
  565    HB3  LEU  77           HB1      LEU  77  -4.836  -2.350  -4.187
  566    HG   LEU  77           HG       LEU  77  -6.682  -3.867  -3.489
  567   HD11  LEU  77          HD11      LEU  77  -5.919  -5.402  -5.965
  568   HD12  LEU  77          HD12      LEU  77  -7.452  -4.575  -5.676
  569   HD13  LEU  77          HD13      LEU  77  -7.002  -5.966  -4.692
  570   HD21  LEU  77          HD21      LEU  77  -5.221  -5.775  -2.994
  571   HD22  LEU  77          HD22      LEU  77  -4.398  -4.239  -2.736
  572   HD23  LEU  77          HD23      LEU  77  -4.056  -5.187  -4.181
  573    H    ILE  78           HN       ILE  78  -6.012  -0.393  -3.628
  574    HA   ILE  78           HA       ILE  78  -8.347  -1.101  -2.141
  575    HB   ILE  78           HB       ILE  78  -6.600   1.297  -1.550
  576   HG12  ILE  78          HG12      ILE  78  -6.202  -1.588  -0.715
  577   HG13  ILE  78          HG11      ILE  78  -5.200  -0.713  -1.863
  578   HG21  ILE  78          HG21      ILE  78  -8.724   1.090  -0.303
  579   HG22  ILE  78          HG22      ILE  78  -7.342   0.826   0.762
  580   HG23  ILE  78          HG23      ILE  78  -8.280  -0.546   0.181
  581   HD11  ILE  78          HD11      ILE  78  -4.136  -0.851   0.305
  582   HD12  ILE  78          HD12      ILE  78  -5.532  -0.064   1.049
  583   HD13  ILE  78          HD13      ILE  78  -4.530   0.824  -0.101
  584    H    ASN  79           HN       ASN  79  -7.408   1.617  -4.192
  585    HA   ASN  79           HA       ASN  79  -9.664   3.231  -3.753
  586    HB2  ASN  79           HB2      ASN  79  -7.760   2.963  -6.032
  587    HB3  ASN  79           HB1      ASN  79  -9.284   3.771  -6.359
  588   HD21  ASN  79          HD21      ASN  79  -6.270   3.967  -4.729
  589   HD22  ASN  79          HD22      ASN  79  -6.393   5.625  -4.257
  590    H    GLY  80           HN       GLY  80  -9.181   0.490  -5.824
  591    HA2  GLY  80           HA2      GLY  80 -11.674   0.540  -7.149
  592    HA3  GLY  80           HA1      GLY  80 -10.656  -0.883  -6.938
  593    H    ALA  81           HN       ALA  81 -10.576  -1.144  -4.257
  594    HA   ALA  81           HA       ALA  81 -12.982  -2.425  -3.602
  595    HB1  ALA  81           HB1      ALA  81 -10.820  -3.020  -2.580
  596    HB2  ALA  81           HB2      ALA  81 -12.021  -2.662  -1.345
  597    HB3  ALA  81           HB3      ALA  81 -10.783  -1.473  -1.741
  598    H    LEU  82           HN       LEU  82 -11.702   0.720  -2.740
  599    HA   LEU  82           HA       LEU  82 -13.826   1.509  -1.052
  600    HB2  LEU  82           HB2      LEU  82 -11.667   3.032  -2.464
  601    HB3  LEU  82           HB1      LEU  82 -12.870   3.825  -1.468
  602    HG   LEU  82           HG       LEU  82 -11.064   1.646  -0.435
  603   HD11  LEU  82          HD11      LEU  82 -10.787   4.639  -0.231
  604   HD12  LEU  82          HD12      LEU  82  -9.745   3.570  -1.169
  605   HD13  LEU  82          HD13      LEU  82  -9.782   3.448   0.590
  606   HD21  LEU  82          HD21      LEU  82 -12.761   3.715   0.952
  607   HD22  LEU  82          HD22      LEU  82 -11.788   2.452   1.722
  608   HD23  LEU  82          HD23      LEU  82 -13.184   2.018   0.748
  609    H    ALA  83           HN       ALA  83 -13.356   1.691  -4.486
  610    HA   ALA  83           HA       ALA  83 -15.375   3.592  -5.025
  611    HB1  ALA  83           HB1      ALA  83 -13.636   3.030  -6.662
  612    HB2  ALA  83           HB2      ALA  83 -15.247   2.788  -7.336
  613    HB3  ALA  83           HB3      ALA  83 -14.295   1.401  -6.803
  614    H    GLU  84           HN       GLU  84 -15.324   0.112  -4.747
  615    HA   GLU  84           HA       GLU  84 -18.213  -0.028  -5.209
  616    HB2  GLU  84           HB2      GLU  84 -17.846  -2.463  -5.320
  617    HB3  GLU  84           HB1      GLU  84 -16.855  -1.591  -6.481
  618    HG2  GLU  84           HG2      GLU  84 -14.916  -1.833  -5.066
  619    HG3  GLU  84           HG1      GLU  84 -15.889  -2.609  -3.820
  620    H    ALA  85           HN       ALA  85 -16.692   0.916  -2.726
  621    HA   ALA  85           HA       ALA  85 -17.336  -1.071  -0.758
  622    HB1  ALA  85           HB1      ALA  85 -15.385   0.388  -0.439
  623    HB2  ALA  85           HB2      ALA  85 -16.526   0.511   0.898
  624    HB3  ALA  85           HB3      ALA  85 -16.458   1.783  -0.322
  625    H    ALA  86           HN       ALA  86 -19.443  -1.417  -0.862
  626    HA   ALA  86           HA       ALA  86 -21.155   0.725   0.112
  627    HB1  ALA  86           HB1      ALA  86 -21.683   0.261  -2.241
  628    HB2  ALA  86           HB2      ALA  86 -22.989  -0.296  -1.196
  629    HB3  ALA  86           HB3      ALA  86 -21.847  -1.455  -1.871
  630    H28  SXD  87          H28B      SXD  87   2.448 -13.501   1.668
  631   H28A  SXD  87          H28A      SXD  87   3.456 -12.285   2.466
  632    H30  SXD  87          H30A      SXD  87   0.921 -13.854   3.360
  633   H30A  SXD  87          H30C      SXD  87   1.390 -13.897   5.060
  634   H30B  SXD  87          H30B      SXD  87   1.601 -12.418   4.123
  635    H31  SXD  87          H31A      SXD  87   2.848 -15.907   4.548
  636   H31A  SXD  87          H31C      SXD  87   2.281 -15.743   2.878
  637   H31B  SXD  87          H31B      SXD  87   4.012 -15.766   3.212
  638    H32  SXD  87          H32A      SXD  87   4.136 -12.369   4.784
  639   HO33  SXD  87          H33A      SXD  87   5.588 -14.521   5.108
  640   HN36  SXD  87          H36A      SXD  87   2.453 -12.702   6.566
  641    H37  SXD  87          H37B      SXD  87   3.522 -13.645   8.912
  642   H37A  SXD  87          H37A      SXD  87   2.566 -14.985   8.319
  643    H38  SXD  87          H38A      SXD  87   1.406 -13.522   9.947
  644   H38A  SXD  87          H38B      SXD  87   1.513 -12.176   8.799
  645   HN41  SXD  87          H41A      SXD  87   1.067 -15.136   7.284
  646    H42  SXD  87          H42B      SXD  87  -1.247 -14.700   5.973
  647   H42A  SXD  87          H42A      SXD  87  -1.759 -15.478   7.469
  648    H43  SXD  87          H43B      SXD  87   0.316 -16.542   5.569
  649   H43A  SXD  87          H43A      SXD  87  -0.307 -17.368   6.988
  650    H1   SXD  87           H1A      SXD  87  -0.087 -18.701   4.198
  651    H1A  SXD  87           H1B      SXD  87  -1.675 -19.450   3.954
  652    H2   SXD  87           H2A      SXD  87  -1.627 -20.212   6.227
  653    H2A  SXD  87           H2B      SXD  87  -0.137 -19.321   6.566
  654    H4   SXD  87           H4B      SXD  87   1.635 -21.048   3.904
  655    H4A  SXD  87           H4A      SXD  87   1.803 -19.830   5.160
  656    H6   SXD  87           H6C      SXD  87   3.506 -21.461   7.567
  657    H6A  SXD  87           H6A      SXD  87   3.433 -20.017   6.552
  658    H6B  SXD  87           H6B      SXD  87   4.585 -21.304   6.175
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -17.712   8.955  -5.688
    2    H2   MET   1           HT2      MET   1 -16.180   9.668  -5.642
    3    H3   MET   1           HT3      MET   1 -17.475  10.494  -6.335
    4    HA   MET   1           HA       MET   1 -16.827  11.265  -4.110
    5    HB2  MET   1           HB2      MET   1 -19.144  11.403  -3.237
    6    HB3  MET   1           HB1      MET   1 -19.036  11.800  -4.939
    7    HG2  MET   1           HG2      MET   1 -19.903   9.589  -5.507
    8    HG3  MET   1           HG1      MET   1 -20.005   9.190  -3.792
    9    HE1  MET   1           HE1      MET   1 -22.444   9.007  -5.890
   10    HE2  MET   1           HE2      MET   1 -23.759   9.655  -4.909
   11    HE3  MET   1           HE3      MET   1 -22.588   8.547  -4.192
   12    H    ALA   2           HN       ALA   2 -15.713   8.691  -4.136
   13    HA   ALA   2           HA       ALA   2 -16.755   7.426  -1.725
   14    HB1  ALA   2           HB1      ALA   2 -14.725   6.534  -3.784
   15    HB2  ALA   2           HB2      ALA   2 -16.394   5.974  -3.661
   16    HB3  ALA   2           HB3      ALA   2 -15.239   5.594  -2.385
   17    H    THR   3           HN       THR   3 -15.007   6.826  -0.131
   18    HA   THR   3           HA       THR   3 -13.178   9.058   0.021
   19    HB   THR   3           HB       THR   3 -14.476   8.465   2.055
   20    HG1  THR   3           HG1      THR   3 -12.713   9.453   2.568
   21   HG21  THR   3          HG21      THR   3 -14.654   6.032   1.819
   22   HG22  THR   3          HG22      THR   3 -13.947   6.437   3.382
   23   HG23  THR   3          HG23      THR   3 -12.917   5.862   2.070
   24    H    LEU   4           HN       LEU   4 -11.427   8.839  -1.093
   25    HA   LEU   4           HA       LEU   4 -10.308   6.157  -1.544
   26    HB2  LEU   4           HB2      LEU   4  -9.875   8.684  -3.125
   27    HB3  LEU   4           HB1      LEU   4  -9.233   7.105  -3.494
   28    HG   LEU   4           HG       LEU   4 -12.158   7.843  -3.546
   29   HD11  LEU   4          HD11      LEU   4 -10.908   8.894  -5.336
   30   HD12  LEU   4          HD12      LEU   4 -11.931   7.604  -5.964
   31   HD13  LEU   4          HD13      LEU   4 -10.198   7.340  -5.771
   32   HD21  LEU   4          HD21      LEU   4 -11.806   5.496  -2.953
   33   HD22  LEU   4          HD22      LEU   4 -10.749   5.294  -4.349
   34   HD23  LEU   4          HD23      LEU   4 -12.464   5.638  -4.583
   35    H    LEU   5           HN       LEU   5  -7.891   6.517  -2.183
   36    HA   LEU   5           HA       LEU   5  -6.688   7.763   0.186
   37    HB2  LEU   5           HB2      LEU   5  -5.569   5.688  -1.694
   38    HB3  LEU   5           HB1      LEU   5  -4.714   6.376  -0.327
   39    HG   LEU   5           HG       LEU   5  -7.133   4.593  -0.273
   40   HD11  LEU   5          HD11      LEU   5  -4.276   4.200   0.562
   41   HD12  LEU   5          HD12      LEU   5  -5.041   3.500  -0.868
   42   HD13  LEU   5          HD13      LEU   5  -5.573   3.019   0.746
   43   HD21  LEU   5          HD21      LEU   5  -7.205   6.217   1.548
   44   HD22  LEU   5          HD22      LEU   5  -5.554   5.791   1.995
   45   HD23  LEU   5          HD23      LEU   5  -6.846   4.600   2.149
   46    H    THR   6           HN       THR   6  -5.339   9.443  -0.079
   47    HA   THR   6           HA       THR   6  -4.820  10.369  -2.741
   48    HB   THR   6           HB       THR   6  -3.699  12.249  -1.504
   49    HG1  THR   6           HG1      THR   6  -4.069  12.297   0.773
   50   HG21  THR   6          HG21      THR   6  -5.780  13.220  -0.610
   51   HG22  THR   6          HG22      THR   6  -6.534  11.626  -0.635
   52   HG23  THR   6          HG23      THR   6  -6.075  12.407  -2.147
   53    H    THR   7           HN       THR   7  -2.292  11.404  -2.589
   54    HA   THR   7           HA       THR   7  -0.648   9.109  -2.664
   55    HB   THR   7           HB       THR   7   1.086  11.023  -2.972
   56    HG1  THR   7           HG1      THR   7   0.218  12.987  -3.302
   57   HG21  THR   7          HG21      THR   7  -1.208  10.640  -4.913
   58   HG22  THR   7          HG22      THR   7   0.223   9.613  -4.801
   59   HG23  THR   7          HG23      THR   7   0.381  11.292  -5.316
   60    H    ASP   8           HN       ASP   8  -1.371  11.634  -0.398
   61    HA   ASP   8           HA       ASP   8   0.875  11.454   1.277
   62    HB2  ASP   8           HB2      ASP   8  -1.942  12.321   1.900
   63    HB3  ASP   8           HB1      ASP   8  -0.631  12.397   3.067
   64    H    ASP   9           HN       ASP   9  -2.315   9.922   1.632
   65    HA   ASP   9           HA       ASP   9  -1.470   8.500   3.956
   66    HB2  ASP   9           HB2      ASP   9  -3.892   9.059   3.403
   67    HB3  ASP   9           HB1      ASP   9  -3.830   7.749   2.237
   68    H    LEU  10           HN       LEU  10  -1.547   7.747   0.552
   69    HA   LEU  10           HA       LEU  10  -0.952   4.993   0.721
   70    HB2  LEU  10           HB2      LEU  10  -1.661   6.100  -1.365
   71    HB3  LEU  10           HB1      LEU  10  -0.165   7.009  -1.396
   72    HG   LEU  10           HG       LEU  10   1.075   4.871  -1.676
   73   HD11  LEU  10          HD11      LEU  10  -0.150   2.860  -2.321
   74   HD12  LEU  10          HD12      LEU  10  -1.672   3.679  -1.970
   75   HD13  LEU  10          HD13      LEU  10  -0.525   3.356  -0.669
   76   HD21  LEU  10          HD21      LEU  10  -1.041   5.436  -3.747
   77   HD22  LEU  10          HD22      LEU  10   0.449   4.533  -4.015
   78   HD23  LEU  10          HD23      LEU  10   0.520   6.246  -3.606
   79    H    ARG  11           HN       ARG  11   1.071   7.880   0.551
   80    HA   ARG  11           HA       ARG  11   3.584   6.661   0.626
   81    HB2  ARG  11           HB2      ARG  11   3.188   9.026   0.074
   82    HB3  ARG  11           HB1      ARG  11   2.702   9.331   1.729
   83    HG2  ARG  11           HG2      ARG  11   4.980   8.771   2.473
   84    HG3  ARG  11           HG1      ARG  11   5.451   8.532   0.786
   85    HD2  ARG  11           HD2      ARG  11   6.073  10.765   1.535
   86    HD3  ARG  11           HD1      ARG  11   4.825  10.851   0.290
   87    HE   ARG  11           HE       ARG  11   4.192  11.004   3.149
   88   HH11  ARG  11          HH11      ARG  11   3.972  12.392  -0.121
   89   HH12  ARG  11          HH12      ARG  11   2.883  13.620   0.336
   90   HH21  ARG  11          HH21      ARG  11   2.652  12.686   3.752
   91   HH22  ARG  11          HH22      ARG  11   2.026  13.712   2.540
   92    H    ARG  12           HN       ARG  12   1.496   7.912   3.201
   93    HA   ARG  12           HA       ARG  12   3.178   7.314   5.350
   94    HB2  ARG  12           HB2      ARG  12   0.169   7.421   5.369
   95    HB3  ARG  12           HB1      ARG  12   1.180   7.364   6.802
   96    HG2  ARG  12           HG2      ARG  12   2.242   9.498   5.974
   97    HG3  ARG  12           HG1      ARG  12   0.939   9.563   4.785
   98    HD2  ARG  12           HD2      ARG  12   0.321  10.883   6.688
   99    HD3  ARG  12           HD1      ARG  12  -0.691   9.438   6.637
  100    HE   ARG  12           HE       ARG  12   1.677   9.167   8.253
  101   HH11  ARG  12          HH11      ARG  12  -1.795   9.937   8.314
  102   HH12  ARG  12          HH12      ARG  12  -1.894   9.889  10.014
  103   HH21  ARG  12          HH21      ARG  12   1.519   9.043  10.490
  104   HH22  ARG  12          HH22      ARG  12   0.063   9.376  11.311
  105    H    ALA  13           HN       ALA  13   0.867   5.268   3.701
  106    HA   ALA  13           HA       ALA  13   0.864   3.131   5.504
  107    HB1  ALA  13           HB1      ALA  13  -0.679   3.301   3.605
  108    HB2  ALA  13           HB2      ALA  13   0.165   1.751   3.608
  109    HB3  ALA  13           HB3      ALA  13   0.662   3.026   2.493
  110    H    LEU  14           HN       LEU  14   2.949   3.619   2.625
  111    HA   LEU  14           HA       LEU  14   4.677   1.488   3.213
  112    HB2  LEU  14           HB2      LEU  14   4.884   3.878   1.404
  113    HB3  LEU  14           HB1      LEU  14   6.209   2.751   1.580
  114    HG   LEU  14           HG       LEU  14   4.706   0.946   0.772
  115   HD11  LEU  14          HD11      LEU  14   2.684   1.473  -0.443
  116   HD12  LEU  14          HD12      LEU  14   2.774   3.145   0.123
  117   HD13  LEU  14          HD13      LEU  14   2.551   1.825   1.278
  118   HD21  LEU  14          HD21      LEU  14   6.269   1.944  -0.744
  119   HD22  LEU  14          HD22      LEU  14   5.176   3.287  -1.043
  120   HD23  LEU  14          HD23      LEU  14   4.750   1.680  -1.610
  121    H    VAL  15           HN       VAL  15   4.471   4.652   4.440
  122    HA   VAL  15           HA       VAL  15   7.133   4.816   5.466
  123    HB   VAL  15           HB       VAL  15   4.573   6.342   6.095
  124   HG11  VAL  15          HG11      VAL  15   5.876   7.836   7.527
  125   HG12  VAL  15          HG12      VAL  15   7.290   6.800   7.341
  126   HG13  VAL  15          HG13      VAL  15   5.861   6.201   8.185
  127   HG21  VAL  15          HG21      VAL  15   7.200   7.169   4.893
  128   HG22  VAL  15          HG22      VAL  15   5.810   8.220   5.156
  129   HG23  VAL  15          HG23      VAL  15   5.701   6.881   4.008
  130    H    GLU  16           HN       GLU  16   3.989   4.044   6.919
  131    HA   GLU  16           HA       GLU  16   4.876   3.485   9.494
  132    HB2  GLU  16           HB2      GLU  16   2.490   2.321   8.066
  133    HB3  GLU  16           HB1      GLU  16   2.756   2.286   9.802
  134    HG2  GLU  16           HG2      GLU  16   2.371   4.739   8.108
  135    HG3  GLU  16           HG1      GLU  16   1.185   4.019   9.193
  136    H    SER  17           HN       SER  17   4.474   1.240   6.745
  137    HA   SER  17           HA       SER  17   5.185  -1.048   8.267
  138    HB2  SER  17           HB2      SER  17   5.179  -0.638   5.272
  139    HB3  SER  17           HB1      SER  17   5.255  -2.195   6.101
  140    HG   SER  17           HG       SER  17   3.279  -1.549   7.145
  141    H    ALA  18           HN       ALA  18   7.063   1.444   6.977
  142    HA   ALA  18           HA       ALA  18   9.458  -0.188   6.729
  143    HB1  ALA  18           HB1      ALA  18   9.048   2.761   6.274
  144    HB2  ALA  18           HB2      ALA  18   9.026   1.509   5.031
  145    HB3  ALA  18           HB3      ALA  18  10.515   1.850   5.914
  146    H    GLY  19           HN       GLY  19   8.199   2.509   8.628
  147    HA2  GLY  19           HA2      GLY  19   8.499   2.656  10.966
  148    HA3  GLY  19           HA1      GLY  19   9.933   1.650  10.823
  149    H    GLU  20           HN       GLU  20   8.989   4.555  11.657
  150    HA   GLU  20           HA       GLU  20   9.958   6.555  12.062
  151    HB2  GLU  20           HB2      GLU  20  12.514   5.102  11.354
  152    HB3  GLU  20           HB1      GLU  20  12.447   6.706  12.059
  153    HG2  GLU  20           HG2      GLU  20  11.501   4.145  13.327
  154    HG3  GLU  20           HG1      GLU  20  12.956   5.051  13.740
  155    H    THR  21           HN       THR  21   9.086   5.876   9.327
  156    HA   THR  21           HA       THR  21   9.128   6.652   7.192
  157    HB   THR  21           HB       THR  21  10.527   9.087   8.388
  158    HG1  THR  21           HG1      THR  21   8.684   9.086   9.464
  159   HG21  THR  21          HG21      THR  21  10.567   9.023   5.920
  160   HG22  THR  21          HG22      THR  21   9.510  10.307   6.504
  161   HG23  THR  21          HG23      THR  21   8.817   8.803   5.898
  162    H    ASP  22           HN       ASP  22  10.536   4.941   6.728
  163    HA   ASP  22           HA       ASP  22  13.228   4.678   6.810
  164    HB2  ASP  22           HB2      ASP  22  11.837   2.912   6.018
  165    HB3  ASP  22           HB1      ASP  22  11.354   3.847   4.613
  166    H    GLY  23           HN       GLY  23  11.759   5.735   3.743
  167    HA2  GLY  23           HA2      GLY  23  12.464   7.901   2.819
  168    HA3  GLY  23           HA1      GLY  23  14.049   7.575   3.537
  169    H    THR  24           HN       THR  24  12.068   5.317   1.706
  170    HA   THR  24           HA       THR  24  14.192   4.706  -0.061
  171    HB   THR  24           HB       THR  24  11.668   3.643  -0.799
  172    HG1  THR  24           HG1      THR  24  12.162   3.255   1.964
  173   HG21  THR  24          HG21      THR  24  12.665   1.608   0.083
  174   HG22  THR  24          HG22      THR  24  13.882   2.611   0.914
  175   HG23  THR  24          HG23      THR  24  13.857   2.536  -0.856
  176    H    ASP  25           HN       ASP  25  13.662   7.372  -0.389
  177    HA   ASP  25           HA       ASP  25  12.725   9.103  -1.526
  178    HB2  ASP  25           HB2      ASP  25  14.392   8.236  -3.201
  179    HB3  ASP  25           HB1      ASP  25  13.084   7.276  -3.904
  180    H    LEU  26           HN       LEU  26  10.858   8.596  -0.373
  181    HA   LEU  26           HA       LEU  26   8.660   7.477  -1.993
  182    HB2  LEU  26           HB2      LEU  26   9.582   6.355   0.117
  183    HB3  LEU  26           HB1      LEU  26   8.871   7.691   0.988
  184    HG   LEU  26           HG       LEU  26   6.660   7.007   0.009
  185   HD11  LEU  26          HD11      LEU  26   8.275   4.572  -0.739
  186   HD12  LEU  26          HD12      LEU  26   7.525   5.700  -1.866
  187   HD13  LEU  26          HD13      LEU  26   6.517   4.694  -0.821
  188   HD21  LEU  26          HD21      LEU  26   7.379   6.531   2.281
  189   HD22  LEU  26          HD22      LEU  26   8.138   5.031   1.731
  190   HD23  LEU  26          HD23      LEU  26   6.382   5.221   1.639
  191    H    SER  27           HN       SER  27  10.007  10.222  -0.865
  192    HA   SER  27           HA       SER  27   7.571  11.527   0.009
  193    HB2  SER  27           HB2      SER  27  10.409  12.308   0.102
  194    HB3  SER  27           HB1      SER  27   9.115  13.337   0.729
  195    HG   SER  27           HG       SER  27   8.872  12.119   2.346
  196    H    GLY  28           HN       GLY  28   8.219  10.934  -2.823
  197    HA2  GLY  28           HA2      GLY  28   7.651  13.644  -3.797
  198    HA3  GLY  28           HA1      GLY  28   8.847  12.642  -4.623
  199    H    ASP  29           HN       ASP  29   7.957  12.043  -6.443
  200    HA   ASP  29           HA       ASP  29   5.205  11.065  -6.458
  201    HB2  ASP  29           HB2      ASP  29   6.009  12.654  -8.246
  202    HB3  ASP  29           HB1      ASP  29   7.165  11.428  -8.752
  203    H    PHE  30           HN       PHE  30   4.818   8.886  -6.473
  204    HA   PHE  30           HA       PHE  30   7.164   7.145  -6.749
  205    HB2  PHE  30           HB2      PHE  30   6.809   6.114  -4.560
  206    HB3  PHE  30           HB1      PHE  30   7.195   7.824  -4.439
  207    HD1  PHE  30           HD2      PHE  30   5.385   9.445  -3.872
  208    HD2  PHE  30           HD1      PHE  30   4.782   5.236  -3.716
  209    HE1  PHE  30           HE2      PHE  30   3.400   9.781  -2.468
  210    HE2  PHE  30           HE1      PHE  30   2.794   5.569  -2.317
  211    HZ   PHE  30           HZ       PHE  30   2.097   7.841  -1.697
  212    H    LEU  31           HN       LEU  31   4.121   7.455  -7.821
  213    HA   LEU  31           HA       LEU  31   3.015   4.910  -7.222
  214    HB2  LEU  31           HB2      LEU  31   2.366   7.002  -9.227
  215    HB3  LEU  31           HB1      LEU  31   1.799   5.382  -9.567
  216    HG   LEU  31           HG       LEU  31   0.543   5.379  -7.448
  217   HD11  LEU  31          HD11      LEU  31   0.239   7.426  -6.169
  218   HD12  LEU  31          HD12      LEU  31   1.461   8.228  -7.157
  219   HD13  LEU  31          HD13      LEU  31   1.912   6.873  -6.125
  220   HD21  LEU  31          HD21      LEU  31  -0.026   7.742  -9.221
  221   HD22  LEU  31          HD22      LEU  31  -1.173   6.995  -8.106
  222   HD23  LEU  31          HD23      LEU  31  -0.557   6.081  -9.486
  223    H    ASP  32           HN       ASP  32   5.362   5.889  -9.494
  224    HA   ASP  32           HA       ASP  32   5.204   3.414 -11.015
  225    HB2  ASP  32           HB2      ASP  32   6.932   4.345 -12.458
  226    HB3  ASP  32           HB1      ASP  32   5.631   5.503 -12.232
  227    H    LEU  33           HN       LEU  33   6.341   3.862  -8.082
  228    HA   LEU  33           HA       LEU  33   8.980   2.745  -8.292
  229    HB2  LEU  33           HB2      LEU  33   7.076   2.771  -5.961
  230    HB3  LEU  33           HB1      LEU  33   8.705   2.158  -5.882
  231    HG   LEU  33           HG       LEU  33   7.911   5.029  -6.345
  232   HD11  LEU  33          HD11      LEU  33   9.249   3.642  -4.026
  233   HD12  LEU  33          HD12      LEU  33   7.598   4.264  -4.055
  234   HD13  LEU  33          HD13      LEU  33   8.961   5.378  -4.159
  235   HD21  LEU  33          HD21      LEU  33  10.304   5.498  -6.212
  236   HD22  LEU  33          HD22      LEU  33   9.936   4.453  -7.585
  237   HD23  LEU  33          HD23      LEU  33  10.641   3.771  -6.121
  238    H    ARG  34           HN       ARG  34   9.492   0.634  -7.403
  239    HA   ARG  34           HA       ARG  34   7.364  -1.325  -7.866
  240    HB2  ARG  34           HB2      ARG  34  10.264  -1.500  -8.709
  241    HB3  ARG  34           HB1      ARG  34   9.133  -2.847  -8.767
  242    HG2  ARG  34           HG2      ARG  34   7.757  -1.665 -10.363
  243    HG3  ARG  34           HG1      ARG  34   8.808  -0.256 -10.260
  244    HD2  ARG  34           HD2      ARG  34  10.649  -1.542 -11.184
  245    HD3  ARG  34           HD1      ARG  34   9.638  -2.988 -11.217
  246    HE   ARG  34           HE       ARG  34   8.187  -1.272 -12.658
  247   HH11  ARG  34          HH11      ARG  34  11.655  -2.014 -12.930
  248   HH12  ARG  34          HH12      ARG  34  11.660  -1.851 -14.630
  249   HH21  ARG  34          HH21      ARG  34   8.219  -1.077 -14.881
  250   HH22  ARG  34          HH22      ARG  34   9.647  -1.322 -15.800
  251    H    PHE  35           HN       PHE  35   7.097  -2.705  -6.239
  252    HA   PHE  35           HA       PHE  35   8.439  -2.259  -3.820
  253    HB2  PHE  35           HB2      PHE  35   6.655  -4.545  -4.660
  254    HB3  PHE  35           HB1      PHE  35   7.278  -4.360  -3.025
  255    HD1  PHE  35           HD1      PHE  35   6.951  -1.737  -2.215
  256    HD2  PHE  35           HD2      PHE  35   4.477  -3.906  -4.887
  257    HE1  PHE  35           HE1      PHE  35   5.071  -0.262  -1.667
  258    HE2  PHE  35           HE2      PHE  35   2.596  -2.435  -4.354
  259    HZ   PHE  35           HZ       PHE  35   2.915  -0.574  -2.718
  260    H    GLU  36           HN       GLU  36   9.087  -4.372  -6.404
  261    HA   GLU  36           HA       GLU  36  10.938  -6.204  -5.445
  262    HB2  GLU  36           HB2      GLU  36  11.048  -4.599  -8.005
  263    HB3  GLU  36           HB1      GLU  36  11.935  -6.077  -7.688
  264    HG2  GLU  36           HG2      GLU  36   8.939  -5.897  -7.727
  265    HG3  GLU  36           HG1      GLU  36   9.922  -6.321  -9.127
  266    H    ASP  37           HN       ASP  37  11.417  -2.856  -6.526
  267    HA   ASP  37           HA       ASP  37  14.264  -2.896  -6.070
  268    HB2  ASP  37           HB2      ASP  37  13.349  -1.650  -7.961
  269    HB3  ASP  37           HB1      ASP  37  12.438  -0.623  -6.859
  270    H    ILE  38           HN       ILE  38  11.436  -1.452  -4.562
  271    HA   ILE  38           HA       ILE  38  13.140  -0.125  -2.653
  272    HB   ILE  38           HB       ILE  38  11.114   0.855  -1.653
  273   HG12  ILE  38          HG12      ILE  38   9.623  -0.641  -3.833
  274   HG13  ILE  38          HG11      ILE  38   9.549  -1.016  -2.116
  275   HG21  ILE  38          HG21      ILE  38  11.306   1.113  -4.648
  276   HG22  ILE  38          HG22      ILE  38  12.250   2.002  -3.455
  277   HG23  ILE  38          HG23      ILE  38  10.507   2.266  -3.577
  278   HD11  ILE  38          HD11      ILE  38   8.531   1.163  -1.690
  279   HD12  ILE  38          HD12      ILE  38   7.590   0.221  -2.847
  280   HD13  ILE  38          HD13      ILE  38   8.615   1.541  -3.409
  281    H    GLY  39           HN       GLY  39  12.766  -3.091  -2.762
  282    HA2  GLY  39           HA2      GLY  39  12.939  -4.829  -1.281
  283    HA3  GLY  39           HA1      GLY  39  13.447  -3.612  -0.126
  284    H    TYR  40           HN       TYR  40  10.333  -4.140  -1.693
  285    HA   TYR  40           HA       TYR  40   9.168  -4.445   0.979
  286    HB2  TYR  40           HB2      TYR  40   8.501  -2.650  -1.190
  287    HB3  TYR  40           HB1      TYR  40   7.124  -3.643  -0.734
  288    HD1  TYR  40           HD1      TYR  40   9.470  -1.078   0.326
  289    HD2  TYR  40           HD2      TYR  40   6.105  -3.402   1.476
  290    HE1  TYR  40           HE1      TYR  40   9.069   0.452   2.196
  291    HE2  TYR  40           HE2      TYR  40   5.695  -1.868   3.370
  292    HH   TYR  40           HH       TYR  40   6.930  -0.199   4.724
  293    H    ASP  41           HN       ASP  41   8.595  -6.460   1.277
  294    HA   ASP  41           HA       ASP  41   7.830  -8.060  -1.058
  295    HB2  ASP  41           HB2      ASP  41   8.271  -8.969   1.790
  296    HB3  ASP  41           HB1      ASP  41   7.871 -10.010   0.439
  297    H    SER  42           HN       SER  42   6.124  -9.767  -0.405
  298    HA   SER  42           HA       SER  42   3.662  -8.528  -0.348
  299    HB2  SER  42           HB2      SER  42   2.848 -10.853   0.070
  300    HB3  SER  42           HB1      SER  42   3.915 -10.667  -1.331
  301    H    LEU  43           HN       LEU  43   5.519 -10.024   2.282
  302    HA   LEU  43           HA       LEU  43   3.395 -10.027   4.141
  303    HB2  LEU  43           HB2      LEU  43   5.582 -11.291   4.324
  304    HB3  LEU  43           HB1      LEU  43   6.295  -9.786   4.879
  305    HG   LEU  43           HG       LEU  43   4.571  -9.756   6.699
  306   HD11  LEU  43          HD11      LEU  43   3.525 -11.948   7.244
  307   HD12  LEU  43          HD12      LEU  43   4.080 -12.542   5.662
  308   HD13  LEU  43          HD13      LEU  43   2.940 -11.216   5.750
  309   HD21  LEU  43          HD21      LEU  43   5.770 -11.381   8.079
  310   HD22  LEU  43          HD22      LEU  43   6.875 -10.415   7.102
  311   HD23  LEU  43          HD23      LEU  43   6.501 -12.074   6.630
  312    H    ALA  44           HN       ALA  44   6.002  -7.735   3.544
  313    HA   ALA  44           HA       ALA  44   5.214  -5.831   5.441
  314    HB1  ALA  44           HB1      ALA  44   7.405  -5.792   4.340
  315    HB2  ALA  44           HB2      ALA  44   6.567  -4.251   4.150
  316    HB3  ALA  44           HB3      ALA  44   6.626  -5.394   2.809
  317    H    LEU  45           HN       LEU  45   4.215  -6.430   2.140
  318    HA   LEU  45           HA       LEU  45   2.565  -4.157   1.859
  319    HB2  LEU  45           HB2      LEU  45   2.361  -6.850   0.522
  320    HB3  LEU  45           HB1      LEU  45   1.474  -5.420   0.027
  321    HG   LEU  45           HG       LEU  45   4.472  -5.718  -0.001
  322   HD11  LEU  45          HD11      LEU  45   4.241  -5.673  -2.419
  323   HD12  LEU  45          HD12      LEU  45   2.490  -5.636  -2.256
  324   HD13  LEU  45          HD13      LEU  45   3.396  -7.057  -1.722
  325   HD21  LEU  45          HD21      LEU  45   4.445  -3.570  -1.169
  326   HD22  LEU  45          HD22      LEU  45   3.780  -3.444   0.462
  327   HD23  LEU  45          HD23      LEU  45   2.698  -3.477  -0.929
  328    H    MET  46           HN       MET  46   1.985  -7.329   3.217
  329    HA   MET  46           HA       MET  46  -0.810  -7.137   3.648
  330    HB2  MET  46           HB2      MET  46   1.153  -8.460   5.540
  331    HB3  MET  46           HB1      MET  46  -0.557  -8.805   5.391
  332    HG2  MET  46           HG2      MET  46   1.552  -9.364   3.341
  333    HG3  MET  46           HG1      MET  46   0.852 -10.542   4.437
  334    HE1  MET  46           HE1      MET  46   1.090 -10.902   1.324
  335    HE2  MET  46           HE2      MET  46  -0.487 -11.594   0.952
  336    HE3  MET  46           HE3      MET  46   0.376 -12.100   2.403
  337    H    GLU  47           HN       GLU  47   1.981  -6.091   5.429
  338    HA   GLU  47           HA       GLU  47   0.758  -5.179   7.816
  339    HB2  GLU  47           HB2      GLU  47   3.247  -5.680   7.071
  340    HB3  GLU  47           HB1      GLU  47   3.254  -3.984   6.637
  341    HG2  GLU  47           HG2      GLU  47   2.896  -5.191   9.371
  342    HG3  GLU  47           HG1      GLU  47   4.256  -4.255   8.780
  343    H    THR  48           HN       THR  48   1.858  -3.581   4.848
  344    HA   THR  48           HA       THR  48   1.075  -0.965   5.245
  345    HB   THR  48           HB       THR  48   1.098  -2.615   2.701
  346    HG1  THR  48           HG1      THR  48   3.041  -1.614   4.336
  347   HG21  THR  48          HG21      THR  48  -0.083  -0.482   2.379
  348   HG22  THR  48          HG22      THR  48   1.470  -0.478   1.539
  349   HG23  THR  48          HG23      THR  48   1.290   0.382   3.066
  350    H    ALA  49           HN       ALA  49  -0.752  -3.577   3.583
  351    HA   ALA  49           HA       ALA  49  -3.078  -2.132   3.125
  352    HB1  ALA  49           HB1      ALA  49  -4.110  -4.294   2.684
  353    HB2  ALA  49           HB2      ALA  49  -2.745  -5.113   3.446
  354    HB3  ALA  49           HB3      ALA  49  -2.506  -4.205   1.954
  355    H    ALA  50           HN       ALA  50  -2.119  -4.217   5.808
  356    HA   ALA  50           HA       ALA  50  -4.440  -4.550   7.228
  357    HB1  ALA  50           HB1      ALA  50  -2.274  -5.547   7.825
  358    HB2  ALA  50           HB2      ALA  50  -3.079  -4.796   9.209
  359    HB3  ALA  50           HB3      ALA  50  -1.745  -3.964   8.407
  360    H    ARG  51           HN       ARG  51  -2.219  -1.843   7.461
  361    HA   ARG  51           HA       ARG  51  -3.447  -0.386   9.502
  362    HB2  ARG  51           HB2      ARG  51  -1.227   0.129   8.615
  363    HB3  ARG  51           HB1      ARG  51  -1.940   0.611   7.083
  364    HG2  ARG  51           HG2      ARG  51  -3.167   2.404   8.320
  365    HG3  ARG  51           HG1      ARG  51  -2.212   1.980   9.742
  366    HD2  ARG  51           HD2      ARG  51  -0.180   2.412   8.517
  367    HD3  ARG  51           HD1      ARG  51  -1.106   2.832   7.078
  368    HE   ARG  51           HE       ARG  51  -1.039   4.356   9.587
  369   HH11  ARG  51          HH11      ARG  51  -1.648   4.245   6.094
  370   HH12  ARG  51          HH12      ARG  51  -2.099   5.884   5.951
  371   HH21  ARG  51          HH21      ARG  51  -1.616   6.682   9.370
  372   HH22  ARG  51          HH22      ARG  51  -2.029   7.304   7.839
  373    H    LEU  52           HN       LEU  52  -3.854  -0.192   6.013
  374    HA   LEU  52           HA       LEU  52  -5.770   1.922   6.180
  375    HB2  LEU  52           HB2      LEU  52  -4.944   0.244   3.819
  376    HB3  LEU  52           HB1      LEU  52  -5.883   1.727   3.748
  377    HG   LEU  52           HG       LEU  52  -3.024   1.486   4.689
  378   HD11  LEU  52          HD11      LEU  52  -4.186   2.772   2.247
  379   HD12  LEU  52          HD12      LEU  52  -3.254   1.274   2.285
  380   HD13  LEU  52          HD13      LEU  52  -2.490   2.803   2.728
  381   HD21  LEU  52          HD21      LEU  52  -4.788   3.912   4.426
  382   HD22  LEU  52          HD22      LEU  52  -3.067   3.921   4.814
  383   HD23  LEU  52          HD23      LEU  52  -4.220   3.192   5.931
  384    H    GLU  53           HN       GLU  53  -5.916  -1.543   5.590
  385    HA   GLU  53           HA       GLU  53  -8.561  -1.778   4.919
  386    HB2  GLU  53           HB2      GLU  53  -6.758  -3.641   6.434
  387    HB3  GLU  53           HB1      GLU  53  -8.393  -4.089   5.962
  388    HG2  GLU  53           HG2      GLU  53  -7.721  -3.751   3.597
  389    HG3  GLU  53           HG1      GLU  53  -6.087  -3.398   4.162
  390    H    SER  54           HN       SER  54  -7.041  -1.918   8.097
  391    HA   SER  54           HA       SER  54  -9.331  -2.340   9.642
  392    HB2  SER  54           HB2      SER  54  -6.953  -2.662  10.367
  393    HB3  SER  54           HB1      SER  54  -6.772  -0.914  10.428
  394    HG   SER  54           HG       SER  54  -8.468  -2.562  11.957
  395    H    ARG  55           HN       ARG  55  -7.683   0.599   8.640
  396    HA   ARG  55           HA       ARG  55  -9.172   2.401  10.226
  397    HB2  ARG  55           HB2      ARG  55  -6.875   2.723   9.296
  398    HB3  ARG  55           HB1      ARG  55  -7.602   2.962   7.720
  399    HG2  ARG  55           HG2      ARG  55  -8.779   4.920   8.565
  400    HG3  ARG  55           HG1      ARG  55  -8.041   4.673  10.152
  401    HD2  ARG  55           HD2      ARG  55  -5.805   4.815   9.025
  402    HD3  ARG  55           HD1      ARG  55  -6.647   5.305   7.558
  403    HE   ARG  55           HE       ARG  55  -7.342   6.866   9.845
  404   HH11  ARG  55          HH11      ARG  55  -5.050   6.650   7.105
  405   HH12  ARG  55          HH12      ARG  55  -4.466   8.225   7.338
  406   HH21  ARG  55          HH21      ARG  55  -6.541   8.996  10.096
  407   HH22  ARG  55          HH22      ARG  55  -5.359   9.625   9.033
  408    H    TYR  56           HN       TYR  56  -9.375   1.540   6.753
  409    HA   TYR  56           HA       TYR  56 -11.624   3.343   6.467
  410    HB2  TYR  56           HB2      TYR  56 -10.045   1.779   4.426
  411    HB3  TYR  56           HB1      TYR  56 -11.418   2.815   4.027
  412    HD1  TYR  56           HD1      TYR  56  -7.943   2.736   5.175
  413    HD2  TYR  56           HD2      TYR  56 -11.222   5.243   4.159
  414    HE1  TYR  56           HE1      TYR  56  -6.425   4.657   5.027
  415    HE2  TYR  56           HE2      TYR  56  -9.723   7.167   4.011
  416    HH   TYR  56           HH       TYR  56  -7.616   7.892   4.697
  417    H    GLY  57           HN       GLY  57 -11.258   0.203   7.336
  418    HA2  GLY  57           HA2      GLY  57 -12.861  -1.349   7.826
  419    HA3  GLY  57           HA1      GLY  57 -14.067  -0.234   7.206
  420    H    VAL  58           HN       VAL  58 -11.309  -1.862   5.709
  421    HA   VAL  58           HA       VAL  58 -13.206  -3.140   3.897
  422    HB   VAL  58           HB       VAL  58 -11.735  -2.867   1.956
  423   HG11  VAL  58          HG11      VAL  58 -13.371  -1.101   2.328
  424   HG12  VAL  58          HG12      VAL  58 -11.895  -0.467   1.583
  425   HG13  VAL  58          HG13      VAL  58 -12.182  -0.231   3.306
  426   HG21  VAL  58          HG21      VAL  58  -9.730  -1.502   1.989
  427   HG22  VAL  58          HG22      VAL  58  -9.569  -2.818   3.158
  428   HG23  VAL  58          HG23      VAL  58  -9.966  -1.174   3.699
  429    H    SER  59           HN       SER  59 -11.927  -4.967   2.604
  430    HA   SER  59           HA       SER  59  -9.847  -6.126   4.216
  431    HB2  SER  59           HB2      SER  59 -11.912  -7.037   5.217
  432    HB3  SER  59           HB1      SER  59 -12.451  -7.570   3.628
  433    HG   SER  59           HG       SER  59  -9.959  -8.458   4.656
  434    H    ILE  60           HN       ILE  60  -8.379  -6.697   2.892
  435    HA   ILE  60           HA       ILE  60  -9.100  -7.488   0.158
  436    HB   ILE  60           HB       ILE  60  -6.516  -6.261   1.169
  437   HG12  ILE  60          HG12      ILE  60  -8.669  -5.097  -0.617
  438   HG13  ILE  60          HG11      ILE  60  -8.386  -4.673   1.068
  439   HG21  ILE  60          HG21      ILE  60  -6.115  -7.835  -0.652
  440   HG22  ILE  60          HG22      ILE  60  -5.851  -6.180  -1.199
  441   HG23  ILE  60          HG23      ILE  60  -7.335  -7.028  -1.639
  442   HD11  ILE  60          HD11      ILE  60  -6.478  -4.237  -1.212
  443   HD12  ILE  60          HD12      ILE  60  -6.192  -3.803   0.474
  444   HD13  ILE  60          HD13      ILE  60  -7.473  -3.004  -0.437
  445    HA   PRO  61           HA       PRO  61  -7.713 -11.607   1.358
  446    HB2  PRO  61           HB2      PRO  61  -7.225 -11.534  -1.591
  447    HB3  PRO  61           HB1      PRO  61  -7.960 -12.821  -0.637
  448    HG2  PRO  61           HG2      PRO  61  -9.502 -11.251  -2.051
  449    HG3  PRO  61           HG1      PRO  61  -9.965 -11.616  -0.376
  450    HD2  PRO  61           HD2      PRO  61  -8.750  -9.130  -1.507
  451    HD3  PRO  61           HD1      PRO  61  -9.990  -9.311  -0.246
  452    H    ASP  62           HN       ASP  62  -5.731 -12.242   1.940
  453    HA   ASP  62           HA       ASP  62  -3.393 -10.749   1.596
  454    HB2  ASP  62           HB2      ASP  62  -2.159 -12.691   2.499
  455    HB3  ASP  62           HB1      ASP  62  -3.634 -12.412   3.410
  456    H    ASP  63           HN       ASP  63  -4.636 -13.406  -0.213
  457    HA   ASP  63           HA       ASP  63  -2.590 -14.053  -1.953
  458    HB2  ASP  63           HB2      ASP  63  -4.628 -15.339  -1.775
  459    HB3  ASP  63           HB1      ASP  63  -5.577 -13.992  -2.378
  460    H    VAL  64           HN       VAL  64  -4.928 -11.459  -2.097
  461    HA   VAL  64           HA       VAL  64  -4.093 -10.631  -4.727
  462    HB   VAL  64           HB       VAL  64  -6.094  -9.346  -2.839
  463   HG11  VAL  64          HG11      VAL  64  -5.259  -7.782  -4.499
  464   HG12  VAL  64          HG12      VAL  64  -6.937  -8.214  -4.832
  465   HG13  VAL  64          HG13      VAL  64  -5.638  -8.928  -5.786
  466   HG21  VAL  64          HG21      VAL  64  -7.802 -10.407  -4.235
  467   HG22  VAL  64          HG22      VAL  64  -6.769 -11.603  -3.453
  468   HG23  VAL  64          HG23      VAL  64  -6.539 -11.222  -5.159
  469    H    ALA  65           HN       ALA  65  -3.890  -9.524  -1.381
  470    HA   ALA  65           HA       ALA  65  -2.758  -6.986  -1.755
  471    HB1  ALA  65           HB1      ALA  65  -2.066  -7.126   0.567
  472    HB2  ALA  65           HB2      ALA  65  -2.317  -8.869   0.556
  473    HB3  ALA  65           HB3      ALA  65  -3.699  -7.781   0.385
  474    H    GLY  66           HN       GLY  66  -1.175 -10.126  -1.262
  475    HA2  GLY  66           HA2      GLY  66   1.436  -8.891  -1.569
  476    HA3  GLY  66           HA1      GLY  66   1.117 -10.587  -1.220
  477    H    ARG  67           HN       ARG  67  -0.189  -8.626  -3.852
  478    HA   ARG  67           HA       ARG  67   1.419 -10.167  -5.760
  479    HB2  ARG  67           HB2      ARG  67  -0.883 -11.068  -5.438
  480    HB3  ARG  67           HB1      ARG  67  -1.518  -9.516  -5.944
  481    HG2  ARG  67           HG2      ARG  67  -0.250  -9.877  -8.099
  482    HG3  ARG  67           HG1      ARG  67  -0.039 -11.548  -7.551
  483    HD2  ARG  67           HD2      ARG  67  -1.993 -11.354  -8.966
  484    HD3  ARG  67           HD1      ARG  67  -2.457 -11.759  -7.309
  485    HE   ARG  67           HE       ARG  67  -2.418  -8.955  -7.832
  486   HH11  ARG  67          HH11      ARG  67  -4.391 -11.854  -7.654
  487   HH12  ARG  67          HH12      ARG  67  -5.879 -11.104  -7.931
  488   HH21  ARG  67          HH21      ARG  67  -4.399  -7.821  -8.174
  489   HH22  ARG  67          HH22      ARG  67  -5.902  -8.608  -8.206
  490    H    VAL  68           HN       VAL  68   0.911  -7.213  -4.520
  491    HA   VAL  68           HA       VAL  68   0.513  -5.834  -7.033
  492    HB   VAL  68           HB       VAL  68   0.433  -3.731  -5.701
  493   HG11  VAL  68          HG11      VAL  68  -1.680  -4.188  -4.549
  494   HG12  VAL  68          HG12      VAL  68  -1.372  -5.916  -4.689
  495   HG13  VAL  68          HG13      VAL  68  -1.612  -4.945  -6.141
  496   HG21  VAL  68          HG21      VAL  68   1.915  -4.374  -3.856
  497   HG22  VAL  68          HG22      VAL  68   0.718  -5.543  -3.298
  498   HG23  VAL  68          HG23      VAL  68   0.355  -3.816  -3.255
  499    H    ASP  69           HN       ASP  69   2.041  -5.187  -8.267
  500    HA   ASP  69           HA       ASP  69   4.819  -5.430  -7.587
  501    HB2  ASP  69           HB2      ASP  69   3.366  -4.541 -10.054
  502    HB3  ASP  69           HB1      ASP  69   5.099  -4.327  -9.912
  503    H    THR  70           HN       THR  70   2.742  -2.639  -8.384
  504    HA   THR  70           HA       THR  70   4.926  -0.862  -7.540
  505    HB   THR  70           HB       THR  70   3.777   0.838  -8.923
  506    HG1  THR  70           HG1      THR  70   2.076  -0.241 -10.397
  507   HG21  THR  70          HG21      THR  70   4.214  -0.127 -11.147
  508   HG22  THR  70          HG22      THR  70   4.254  -1.743 -10.440
  509   HG23  THR  70          HG23      THR  70   5.492  -0.562 -10.012
  510    HA   PRO  71           HA       PRO  71   2.205   0.722  -4.272
  511    HB2  PRO  71           HB2      PRO  71   2.976   3.453  -5.174
  512    HB3  PRO  71           HB1      PRO  71   3.126   2.726  -3.569
  513    HG2  PRO  71           HG2      PRO  71   5.277   3.088  -5.073
  514    HG3  PRO  71           HG1      PRO  71   5.085   1.602  -4.118
  515    HD2  PRO  71           HD2      PRO  71   4.627   2.043  -7.045
  516    HD3  PRO  71           HD1      PRO  71   5.438   0.691  -6.227
  517    H    ARG  72           HN       ARG  72   2.171   1.875  -7.543
  518    HA   ARG  72           HA       ARG  72  -0.299   3.214  -7.566
  519    HB2  ARG  72           HB2      ARG  72   1.310   3.231  -9.478
  520    HB3  ARG  72           HB1      ARG  72   0.884   1.554  -9.802
  521    HG2  ARG  72           HG2      ARG  72  -1.472   2.277 -10.131
  522    HG3  ARG  72           HG1      ARG  72  -0.935   3.945  -9.957
  523    HD2  ARG  72           HD2      ARG  72  -0.116   1.974 -12.079
  524    HD3  ARG  72           HD1      ARG  72  -1.120   3.405 -12.290
  525    HE   ARG  72           HE       ARG  72   1.768   3.314 -11.893
  526   HH11  ARG  72          HH11      ARG  72  -1.126   5.327 -12.465
  527   HH12  ARG  72          HH12      ARG  72  -0.219   6.653 -13.021
  528   HH21  ARG  72          HH21      ARG  72   2.932   5.061 -12.665
  529   HH22  ARG  72          HH22      ARG  72   2.189   6.550 -13.048
  530    H    GLU  73           HN       GLU  73   0.573  -0.191  -8.165
  531    HA   GLU  73           HA       GLU  73  -2.028  -1.156  -8.568
  532    HB2  GLU  73           HB2      GLU  73   0.391  -2.579  -7.453
  533    HB3  GLU  73           HB1      GLU  73  -1.105  -3.380  -7.901
  534    HG2  GLU  73           HG2      GLU  73   0.760  -1.893  -9.727
  535    HG3  GLU  73           HG1      GLU  73   0.548  -3.640  -9.628
  536    H    LEU  74           HN       LEU  74  -0.143  -0.755  -5.636
  537    HA   LEU  74           HA       LEU  74  -1.980  -1.997  -3.884
  538    HB2  LEU  74           HB2      LEU  74   0.458  -1.437  -3.431
  539    HB3  LEU  74           HB1      LEU  74  -0.021   0.227  -3.226
  540    HG   LEU  74           HG       LEU  74   0.444  -1.029  -1.116
  541   HD11  LEU  74          HD11      LEU  74  -1.480  -0.219   0.156
  542   HD12  LEU  74          HD12      LEU  74  -2.362   0.033  -1.349
  543   HD13  LEU  74          HD13      LEU  74  -0.915   0.977  -1.012
  544   HD21  LEU  74          HD21      LEU  74  -0.453  -3.188  -1.725
  545   HD22  LEU  74          HD22      LEU  74  -2.081  -2.514  -1.814
  546   HD23  LEU  74          HD23      LEU  74  -1.242  -2.594  -0.265
  547    H    LEU  75           HN       LEU  75  -1.553   1.379  -4.868
  548    HA   LEU  75           HA       LEU  75  -3.658   2.536  -3.413
  549    HB2  LEU  75           HB2      LEU  75  -1.873   3.794  -4.594
  550    HB3  LEU  75           HB1      LEU  75  -2.565   3.296  -6.122
  551    HG   LEU  75           HG       LEU  75  -4.629   4.566  -5.547
  552   HD11  LEU  75          HD11      LEU  75  -2.972   5.550  -3.238
  553   HD12  LEU  75          HD12      LEU  75  -4.427   4.555  -3.142
  554   HD13  LEU  75          HD13      LEU  75  -4.528   6.206  -3.753
  555   HD21  LEU  75          HD21      LEU  75  -2.061   6.148  -5.564
  556   HD22  LEU  75          HD22      LEU  75  -3.660   6.770  -5.976
  557   HD23  LEU  75          HD23      LEU  75  -2.909   5.530  -6.983
  558    H    ASP  76           HN       ASP  76  -3.468   1.285  -6.692
  559    HA   ASP  76           HA       ASP  76  -6.035   1.688  -7.629
  560    HB2  ASP  76           HB2      ASP  76  -4.284   1.025  -9.118
  561    HB3  ASP  76           HB1      ASP  76  -4.014  -0.470  -8.233
  562    H    LEU  77           HN       LEU  77  -4.717  -1.153  -6.036
  563    HA   LEU  77           HA       LEU  77  -7.004  -2.725  -6.028
  564    HB2  LEU  77           HB2      LEU  77  -4.776  -3.573  -5.604
  565    HB3  LEU  77           HB1      LEU  77  -4.677  -2.642  -4.125
  566    HG   LEU  77           HG       LEU  77  -6.433  -4.025  -3.130
  567   HD11  LEU  77          HD11      LEU  77  -6.315  -5.564  -5.723
  568   HD12  LEU  77          HD12      LEU  77  -7.664  -4.580  -5.159
  569   HD13  LEU  77          HD13      LEU  77  -7.207  -6.037  -4.277
  570   HD21  LEU  77          HD21      LEU  77  -5.116  -6.078  -2.940
  571   HD22  LEU  77          HD22      LEU  77  -4.095  -4.642  -2.857
  572   HD23  LEU  77          HD23      LEU  77  -4.159  -5.589  -4.341
  573    H    ILE  78           HN       ILE  78  -5.712  -0.670  -3.403
  574    HA   ILE  78           HA       ILE  78  -7.933  -1.198  -1.750
  575    HB   ILE  78           HB       ILE  78  -5.918   1.062  -1.527
  576   HG12  ILE  78          HG12      ILE  78  -6.166  -1.645  -0.203
  577   HG13  ILE  78          HG11      ILE  78  -4.881  -1.081  -1.252
  578   HG21  ILE  78          HG21      ILE  78  -7.964   1.717  -0.402
  579   HG22  ILE  78          HG22      ILE  78  -6.724   1.337   0.792
  580   HG23  ILE  78          HG23      ILE  78  -8.019   0.179   0.463
  581   HD11  ILE  78          HD11      ILE  78  -4.150  -1.157   1.052
  582   HD12  ILE  78          HD12      ILE  78  -5.479  -0.102   1.528
  583   HD13  ILE  78          HD13      ILE  78  -4.192   0.518   0.489
  584    H    ASN  79           HN       ASN  79  -7.275   1.453  -3.994
  585    HA   ASN  79           HA       ASN  79  -9.592   2.933  -3.239
  586    HB2  ASN  79           HB2      ASN  79  -7.899   3.061  -5.733
  587    HB3  ASN  79           HB1      ASN  79  -9.350   4.030  -5.557
  588   HD21  ASN  79          HD21      ASN  79  -7.175   3.303  -2.920
  589   HD22  ASN  79          HD22      ASN  79  -6.548   4.902  -2.744
  590    H    GLY  80           HN       GLY  80  -9.058   0.308  -5.436
  591    HA2  GLY  80           HA2      GLY  80 -11.498   0.441  -6.834
  592    HA3  GLY  80           HA1      GLY  80 -10.526  -1.007  -6.589
  593    H    ALA  81           HN       ALA  81 -10.579  -1.006  -3.784
  594    HA   ALA  81           HA       ALA  81 -13.141  -2.179  -3.292
  595    HB1  ALA  81           HB1      ALA  81 -10.883  -1.578  -1.371
  596    HB2  ALA  81           HB2      ALA  81 -11.100  -3.082  -2.266
  597    HB3  ALA  81           HB3      ALA  81 -12.275  -2.611  -1.036
  598    H    LEU  82           HN       LEU  82 -11.445   0.721  -2.226
  599    HA   LEU  82           HA       LEU  82 -13.321   1.753  -0.444
  600    HB2  LEU  82           HB2      LEU  82 -11.347   3.194  -2.190
  601    HB3  LEU  82           HB1      LEU  82 -12.275   3.963  -0.920
  602    HG   LEU  82           HG       LEU  82 -10.262   1.754  -0.511
  603   HD11  LEU  82          HD11      LEU  82 -10.107   4.705   0.072
  604   HD12  LEU  82          HD12      LEU  82  -9.216   3.842  -1.183
  605   HD13  LEU  82          HD13      LEU  82  -8.898   3.500   0.517
  606   HD21  LEU  82          HD21      LEU  82 -11.800   3.429   1.471
  607   HD22  LEU  82          HD22      LEU  82 -10.544   2.254   1.864
  608   HD23  LEU  82          HD23      LEU  82 -12.059   1.716   1.140
  609    H    ALA  83           HN       ALA  83 -13.160   2.108  -3.950
  610    HA   ALA  83           HA       ALA  83 -15.167   4.070  -4.138
  611    HB1  ALA  83           HB1      ALA  83 -13.603   3.582  -5.965
  612    HB2  ALA  83           HB2      ALA  83 -15.281   3.496  -6.502
  613    HB3  ALA  83           HB3      ALA  83 -14.375   2.014  -6.196
  614    H    GLU  84           HN       GLU  84 -15.322   0.612  -3.775
  615    HA   GLU  84           HA       GLU  84 -18.168   0.562  -4.392
  616    HB2  GLU  84           HB2      GLU  84 -16.380  -1.680  -3.435
  617    HB3  GLU  84           HB1      GLU  84 -18.022  -1.849  -4.033
  618    HG2  GLU  84           HG2      GLU  84 -15.597  -1.011  -5.593
  619    HG3  GLU  84           HG1      GLU  84 -16.484  -2.527  -5.729
  620    H    ALA  85           HN       ALA  85 -16.268   1.295  -1.817
  621    HA   ALA  85           HA       ALA  85 -17.904   0.162   0.261
  622    HB1  ALA  85           HB1      ALA  85 -15.498   0.463   0.623
  623    HB2  ALA  85           HB2      ALA  85 -16.435   1.415   1.775
  624    HB3  ALA  85           HB3      ALA  85 -15.677   2.202   0.388
  625    H    ALA  86           HN       ALA  86 -19.885   0.977   0.369
  626    HA   ALA  86           HA       ALA  86 -20.164   3.822   0.741
  627    HB1  ALA  86           HB1      ALA  86 -20.530   3.529  -1.665
  628    HB2  ALA  86           HB2      ALA  86 -22.035   3.949  -0.848
  629    HB3  ALA  86           HB3      ALA  86 -21.733   2.281  -1.334
  630    H28  SXD  87          H28B      SXD  87   3.337 -13.378   1.313
  631   H28A  SXD  87          H28A      SXD  87   4.410 -14.764   1.270
  632    H30  SXD  87          H30A      SXD  87   2.707 -16.230   2.243
  633   H30A  SXD  87          H30C      SXD  87   1.719 -14.784   2.474
  634   H30B  SXD  87          H30B      SXD  87   1.034 -16.192   1.667
  635    H31  SXD  87          H31A      SXD  87   1.633 -13.751  -1.039
  636   H31A  SXD  87          H31C      SXD  87   0.406 -14.768  -0.283
  637   H31B  SXD  87          H31B      SXD  87   1.068 -13.386   0.590
  638    H32  SXD  87          H32A      SXD  87   3.138 -15.879  -1.436
  639   HO33  SXD  87          H33A      SXD  87   1.613 -17.775  -0.805
  640   HN36  SXD  87          H36A      SXD  87   5.058 -16.350   0.554
  641    H37  SXD  87          H37B      SXD  87   5.919 -18.855   0.096
  642   H37A  SXD  87          H37A      SXD  87   4.871 -19.146   1.450
  643    H38  SXD  87          H38A      SXD  87   7.337 -18.915   1.869
  644   H38A  SXD  87          H38B      SXD  87   7.194 -17.175   1.508
  645   HN41  SXD  87          H41A      SXD  87   4.408 -17.718   2.904
  646    H42  SXD  87          H42B      SXD  87   5.327 -17.181   5.632
  647   H42A  SXD  87          H42A      SXD  87   4.159 -18.476   5.329
  648    H43  SXD  87          H43B      SXD  87   3.750 -15.552   4.737
  649   H43A  SXD  87          H43A      SXD  87   2.645 -16.862   4.304
  650    H1   SXD  87           H1A      SXD  87   0.716 -15.466   5.533
  651    H1A  SXD  87           H1B      SXD  87   1.891 -14.240   6.060
  652    H2   SXD  87           H2A      SXD  87  -0.102 -15.804   7.710
  653    H2A  SXD  87           H2B      SXD  87  -0.195 -14.087   7.314
  654    H4   SXD  87           H4B      SXD  87   1.349 -16.583   9.532
  655    H4A  SXD  87           H4A      SXD  87   2.083 -15.353  10.555
  656    H6   SXD  87           H6C      SXD  87  -0.350 -14.418  12.564
  657    H6A  SXD  87           H6A      SXD  87   1.266 -15.126  12.463
  658    H6B  SXD  87           H6B      SXD  87  -0.125 -16.149  12.841